RESP-A1 project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=2, nmol=16, ihfree=1, irstrnt=1, qwt=0.001 &end 1.0 Dimethylalanine-dipeptide_(alpha-helix) 0 25 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide_(alpha-helix) 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide_(alpha-helix) 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide_(alpha-helix) 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide_(extended) 0 25 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide_(extended) 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide_(extended) 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide_(extended) 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 0 22 1 0 23 1 23 24 1 23 25 Inter-'molecular' charge equivalencing (i.e. for different orientations or conformations) 4 1 1 2 1 3 1 4 1 4 1 2 2 2 3 2 4 2 4 1 10 2 10 3 10 4 10 4 1 11 2 11 3 11 4 11 4 1 22 2 22 3 22 4 22 4 1 23 2 23 3 23 4 23 4 5 1 6 1 7 1 8 1 4 5 2 6 2 7 2 8 2 4 5 10 6 10 7 10 8 10 4 5 11 6 11 7 11 8 11 4 5 22 6 22 7 22 8 22 4 5 23 6 23 7 23 8 23 8 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 8 9 2 10 2 11 2 12 2 13 2 14 2 15 2 16 2 8 9 10 10 10 11 10 12 10 13 10 14 10 15 10 16 10 8 9 11 10 11 11 11 12 11 13 11 14 11 15 11 16 11 8 9 22 10 22 11 22 12 22 13 22 14 22 15 22 16 22 8 9 23 10 23 11 23 12 23 13 23 14 23 15 23 16 23