NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
29602 | 1b4c | 4001 | cing | 2-parsed | STAR | dipolar coupling | 521 |
data_1b4c_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1b4c _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1b4c 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1b4c _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1b4c "Master copy" parsed_1b4c stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1b4c _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1b4c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1b4c 1 1 1b4c.mr . . XPLOR/CNS 2 distance NOE ambi 1780 parsed_1b4c 1 1 1b4c.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 340 parsed_1b4c 1 1 1b4c.mr . . XPLOR/CNS 4 distance symmetry simple 0 parsed_1b4c 1 1 1b4c.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 176 parsed_1b4c 1 1 1b4c.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 521 parsed_1b4c 1 1 1b4c.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1b4c 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_1b4c _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 6 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Source_experiment_ID _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . . . . . . . . . . . . . . . . -8.4400 -8.6400 -8.2400 . . sbm1 17 . N sbm1 17 . HN parsed_1b4c 1 2 . . . . . . . . . . . . . . . . 1.85 1.65 2.05 . . sbm1 19 . N sbm1 19 . HN parsed_1b4c 1 3 . . . . . . . . . . . . . . . . -6.77 -6.97 -6.57 . . sbm1 22 . N sbm1 22 . HN parsed_1b4c 1 4 . . . . . . . . . . . . . . . . 5.11 4.91 5.31 . . sbm1 23 . N sbm1 23 . HN parsed_1b4c 1 5 . . . . . . . . . . . . . . . . 9.11 8.91 9.31 . . sbm1 28 . N sbm1 28 . HN parsed_1b4c 1 6 . . . . . . . . . . . . . . . . 11.55 11.35 11.75 . . sbm1 29 . N sbm1 29 . HN parsed_1b4c 1 7 . . . . . . . . . . . . . . . . -0.1000 -0.3000 0.1000 . . sbm1 30 . N sbm1 30 . HN parsed_1b4c 1 8 . . . . . . . . . . . . . . . . 4.1800 3.9800 4.3800 . . sbm1 31 . N sbm1 31 . HN parsed_1b4c 1 9 . . . . . . . . . . . . . . . . 4.6200 4.4200 4.8200 . . sbm1 33 . N sbm1 33 . HN parsed_1b4c 1 10 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm1 34 . N sbm1 34 . HN parsed_1b4c 1 11 . . . . . . . . . . . . . . . . 7.7700 7.5700 7.9700 . . sbm1 35 . N sbm1 35 . HN parsed_1b4c 1 12 . . . . . . . . . . . . . . . . 0.1800 -0.0200 0.3800 . . sbm1 52 . N sbm1 52 . HN parsed_1b4c 1 13 . . . . . . . . . . . . . . . . -9.3400 -9.5400 -9.1400 . . sbm1 53 . N sbm1 53 . HN parsed_1b4c 1 14 . . . . . . . . . . . . . . . . -10.3400 -10.5400 -10.1400 . . sbm1 57 . N sbm1 57 . HN parsed_1b4c 1 15 . . . . . . . . . . . . . . . . -11.7900 -11.9900 -11.5900 . . sbm1 58 . N sbm1 58 . HN parsed_1b4c 1 16 . . . . . . . . . . . . . . . . -5.4800 -5.6800 -5.2800 . . sbm1 60 . N sbm1 60 . HN parsed_1b4c 1 17 . . . . . . . . . . . . . . . . -11.32 -11.52 -11.12 . . sbm1 61 . N sbm1 61 . HN parsed_1b4c 1 18 . . . . . . . . . . . . . . . . -2.77 -2.97 -2.57 . . sbm1 64 . N sbm1 64 . HN parsed_1b4c 1 19 . . . . . . . . . . . . . . . . -9.80 -10.00 -9.60 . . sbm1 66 . N sbm1 66 . HN parsed_1b4c 1 20 . . . . . . . . . . . . . . . . 6.9000 6.7000 7.1000 . . sbm1 68 . N sbm1 68 . HN parsed_1b4c 1 21 . . . . . . . . . . . . . . . . -10.8800 -11.0800 -10.6800 . . sbm1 70 . N sbm1 70 . HN parsed_1b4c 1 22 . . . . . . . . . . . . . . . . -10.9800 -11.1800 -10.7800 . . sbm1 73 . N sbm1 73 . HN parsed_1b4c 1 23 . . . . . . . . . . . . . . . . -9.4900 -9.6900 -9.2900 . . sbm1 74 . N sbm1 74 . HN parsed_1b4c 1 24 . . . . . . . . . . . . . . . . -8.6200 -8.8200 -8.4200 . . sbm1 75 . N sbm1 75 . HN parsed_1b4c 1 25 . . . . . . . . . . . . . . . . -11.5700 -11.7700 -11.3700 . . sbm1 77 . N sbm1 77 . HN parsed_1b4c 1 26 . . . . . . . . . . . . . . . . -9.7900 -9.9900 -9.5900 . . sbm1 79 . N sbm1 79 . HN parsed_1b4c 1 27 . . . . . . . . . . . . . . . . -8.4400 -8.6400 -8.2400 . . sbm2 17 . N sbm2 17 . HN parsed_1b4c 1 28 . . . . . . . . . . . . . . . . 1.85 1.65 2.05 . . sbm2 19 . N sbm2 19 . HN parsed_1b4c 1 29 . . . . . . . . . . . . . . . . -6.77 -6.97 -6.57 . . sbm2 22 . N sbm2 22 . HN parsed_1b4c 1 30 . . . . . . . . . . . . . . . . 5.11 4.91 5.31 . . sbm2 23 . N sbm2 23 . HN parsed_1b4c 1 31 . . . . . . . . . . . . . . . . 9.11 8.91 9.31 . . sbm2 28 . N sbm2 28 . HN parsed_1b4c 1 32 . . . . . . . . . . . . . . . . 11.55 11.35 11.75 . . sbm2 29 . N sbm2 29 . HN parsed_1b4c 1 33 . . . . . . . . . . . . . . . . -0.1000 -0.3000 0.1000 . . sbm2 30 . N sbm2 30 . HN parsed_1b4c 1 34 . . . . . . . . . . . . . . . . 4.1800 3.9800 4.3800 . . sbm2 31 . N sbm2 31 . HN parsed_1b4c 1 35 . . . . . . . . . . . . . . . . 4.6200 4.4200 4.8200 . . sbm2 33 . N sbm2 33 . HN parsed_1b4c 1 36 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm2 34 . N sbm2 34 . HN parsed_1b4c 1 37 . . . . . . . . . . . . . . . . 7.7700 7.5700 7.9700 . . sbm2 35 . N sbm2 35 . HN parsed_1b4c 1 38 . . . . . . . . . . . . . . . . 0.1800 -0.0200 0.3800 . . sbm2 52 . N sbm2 52 . HN parsed_1b4c 1 39 . . . . . . . . . . . . . . . . -9.3400 -9.5400 -9.1400 . . sbm2 53 . N sbm2 53 . HN parsed_1b4c 1 40 . . . . . . . . . . . . . . . . -10.3400 -10.5400 -10.1400 . . sbm2 57 . N sbm2 57 . HN parsed_1b4c 1 41 . . . . . . . . . . . . . . . . -11.7900 -11.9900 -11.5900 . . sbm2 58 . N sbm2 58 . HN parsed_1b4c 1 42 . . . . . . . . . . . . . . . . -5.4800 -5.6800 -5.2800 . . sbm2 60 . N sbm2 60 . HN parsed_1b4c 1 43 . . . . . . . . . . . . . . . . -11.32 -11.52 -11.12 . . sbm2 61 . N sbm2 61 . HN parsed_1b4c 1 44 . . . . . . . . . . . . . . . . -2.77 -2.97 -2.57 . . sbm2 64 . N sbm2 64 . HN parsed_1b4c 1 45 . . . . . . . . . . . . . . . . -9.80 -10.00 -9.60 . . sbm2 66 . N sbm2 66 . HN parsed_1b4c 1 46 . . . . . . . . . . . . . . . . 6.9000 6.7000 7.1000 . . sbm2 68 . N sbm2 68 . HN parsed_1b4c 1 47 . . . . . . . . . . . . . . . . -10.8800 -11.0800 -10.6800 . . sbm2 70 . N sbm2 70 . HN parsed_1b4c 1 48 . . . . . . . . . . . . . . . . -10.9800 -11.1800 -10.7800 . . sbm2 73 . N sbm2 73 . HN parsed_1b4c 1 49 . . . . . . . . . . . . . . . . -9.4900 -9.6900 -9.2900 . . sbm2 74 . N sbm2 74 . HN parsed_1b4c 1 50 . . . . . . . . . . . . . . . . -8.6200 -8.8200 -8.4200 . . sbm2 75 . N sbm2 75 . HN parsed_1b4c 1 51 . . . . . . . . . . . . . . . . -11.5700 -11.7700 -11.3700 . . sbm2 77 . N sbm2 77 . HN parsed_1b4c 1 52 . . . . . . . . . . . . . . . . -9.7900 -9.9900 -9.5900 . . sbm2 79 . N sbm2 79 . HN parsed_1b4c 1 53 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm1 4 . N sbm1 4 . HN parsed_1b4c 1 54 . . . . . . . . . . . . . . . . -6.5500 -6.7500 -6.3500 . . sbm1 5 . N sbm1 5 . HN parsed_1b4c 1 55 . . . . . . . . . . . . . . . . -8.9000 -9.1000 -8.7000 . . sbm1 6 . N sbm1 6 . HN parsed_1b4c 1 56 . . . . . . . . . . . . . . . . -9.6900 -9.8900 -9.4900 . . sbm1 9 . N sbm1 9 . HN parsed_1b4c 1 57 . . . . . . . . . . . . . . . . -5.6000 -5.8000 -5.4000 . . sbm1 12 . N sbm1 12 . HN parsed_1b4c 1 58 . . . . . . . . . . . . . . . . -4.79 -4.99 -4.59 . . sbm1 26 . N sbm1 26 . HN parsed_1b4c 1 59 . . . . . . . . . . . . . . . . 9.30 9.10 9.50 . . sbm1 69 . N sbm1 69 . HN parsed_1b4c 1 60 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm2 4 . N sbm2 4 . HN parsed_1b4c 1 61 . . . . . . . . . . . . . . . . -6.5500 -6.7500 -6.3500 . . sbm2 5 . N sbm2 5 . HN parsed_1b4c 1 62 . . . . . . . . . . . . . . . . -8.9000 -9.1000 -8.7000 . . sbm2 6 . N sbm2 6 . HN parsed_1b4c 1 63 . . . . . . . . . . . . . . . . -9.6900 -9.8900 -9.4900 . . sbm2 9 . N sbm2 9 . HN parsed_1b4c 1 64 . . . . . . . . . . . . . . . . -5.6000 -5.8000 -5.4000 . . sbm2 12 . N sbm2 12 . HN parsed_1b4c 1 65 . . . . . . . . . . . . . . . . -4.79 -4.99 -4.59 . . sbm2 26 . N sbm2 26 . HN parsed_1b4c 1 66 . . . . . . . . . . . . . . . . 9.30 9.10 9.50 . . sbm2 69 . N sbm2 69 . HN parsed_1b4c 1 67 . . . . . . . . . . . . . . . . -7.600 -7.800 -7.400 . . sbm1 3 . N sbm1 3 . HN parsed_1b4c 1 68 . . . . . . . . . . . . . . . . -7.000 -7.200 -6.800 . . sbm1 10 . N sbm1 10 . HN parsed_1b4c 1 69 . . . . . . . . . . . . . . . . -9.4300 -9.6300 -9.2300 . . sbm1 13 . N sbm1 13 . HN parsed_1b4c 1 70 . . . . . . . . . . . . . . . . -8.900 -9.100 -8.700 . . sbm1 20 . N sbm1 20 . HN parsed_1b4c 1 71 . . . . . . . . . . . . . . . . -4.7900 -4.9900 -4.5900 . . sbm1 26 . N sbm1 26 . HN parsed_1b4c 1 72 . . . . . . . . . . . . . . . . 2.1500 1.9500 2.3500 . . sbm1 27 . N sbm1 27 . HN parsed_1b4c 1 73 . . . . . . . . . . . . . . . . 11.9000 11.7000 12.1000 . . sbm1 36 . N sbm1 36 . HN parsed_1b4c 1 74 . . . . . . . . . . . . . . . . 13.5000 13.3000 13.7000 . . sbm1 39 . N sbm1 39 . HN parsed_1b4c 1 75 . . . . . . . . . . . . . . . . -8.8000 -9.0000 -8.6000 . . sbm1 42 . N sbm1 42 . HN parsed_1b4c 1 76 . . . . . . . . . . . . . . . . 1.700 1.500 1.900 . . sbm1 45 . N sbm1 45 . HN parsed_1b4c 1 77 . . . . . . . . . . . . . . . . -10.000 -10.200 -9.800 . . sbm1 46 . N sbm1 46 . HN parsed_1b4c 1 78 . . . . . . . . . . . . . . . . -1.4700 -1.6700 -1.2700 . . sbm1 48 . N sbm1 48 . HN parsed_1b4c 1 79 . . . . . . . . . . . . . . . . -10.3000 -10.5000 -10.1000 . . sbm1 50 . N sbm1 50 . HN parsed_1b4c 1 80 . . . . . . . . . . . . . . . . -12.2000 -12.4000 -12.0000 . . sbm1 51 . N sbm1 51 . HN parsed_1b4c 1 81 . . . . . . . . . . . . . . . . -3.5000 -3.7000 -3.3000 . . sbm1 56 . N sbm1 56 . HN parsed_1b4c 1 82 . . . . . . . . . . . . . . . . -4.1000 -4.3000 -3.9000 . . sbm1 59 . N sbm1 59 . HN parsed_1b4c 1 83 . . . . . . . . . . . . . . . . 5.6000 5.4000 5.8000 . . sbm1 63 . N sbm1 63 . HN parsed_1b4c 1 84 . . . . . . . . . . . . . . . . 10.060 9.860 10.260 . . sbm1 65 . N sbm1 65 . HN parsed_1b4c 1 85 . . . . . . . . . . . . . . . . 11.5000 11.3000 11.7000 . . sbm1 67 . N sbm1 67 . HN parsed_1b4c 1 86 . . . . . . . . . . . . . . . . 9.3000 9.1000 9.5000 . . sbm1 69 . N sbm1 69 . HN parsed_1b4c 1 87 . . . . . . . . . . . . . . . . -12.3300 -12.5300 -12.1300 . . sbm1 80 . N sbm1 80 . HN parsed_1b4c 1 88 . . . . . . . . . . . . . . . . -11.5000 -11.7000 -11.3000 . . sbm1 83 . N sbm1 83 . HN parsed_1b4c 1 89 . . . . . . . . . . . . . . . . -7.600 -7.800 -7.400 . . sbm2 3 . N sbm2 3 . HN parsed_1b4c 1 90 . . . . . . . . . . . . . . . . -7.000 -7.200 -6.800 . . sbm2 10 . N sbm2 10 . HN parsed_1b4c 1 91 . . . . . . . . . . . . . . . . -9.4300 -9.6300 -9.2300 . . sbm2 13 . N sbm2 13 . HN parsed_1b4c 1 92 . . . . . . . . . . . . . . . . -8.900 -9.100 -8.700 . . sbm2 20 . N sbm2 20 . HN parsed_1b4c 1 93 . . . . . . . . . . . . . . . . -4.7900 -4.9900 -4.5900 . . sbm2 26 . N sbm2 26 . HN parsed_1b4c 1 94 . . . . . . . . . . . . . . . . 2.1500 1.9500 2.3500 . . sbm2 27 . N sbm2 27 . HN parsed_1b4c 1 95 . . . . . . . . . . . . . . . . 11.9000 11.7000 12.1000 . . sbm2 36 . N sbm2 36 . HN parsed_1b4c 1 96 . . . . . . . . . . . . . . . . 13.500 13.300 13.700 . . sbm2 39 . N sbm2 39 . HN parsed_1b4c 1 97 . . . . . . . . . . . . . . . . -8.800 -9.000 -8.600 . . sbm2 42 . N sbm2 42 . HN parsed_1b4c 1 98 . . . . . . . . . . . . . . . . 1.700 1.500 1.900 . . sbm2 45 . N sbm2 45 . HN parsed_1b4c 1 99 . . . . . . . . . . . . . . . . -10.00 -10.20 -9.80 . . sbm2 46 . N sbm2 46 . HN parsed_1b4c 1 100 . . . . . . . . . . . . . . . . -1.470 -1.670 -1.270 . . sbm2 48 . N sbm2 48 . HN parsed_1b4c 1 101 . . . . . . . . . . . . . . . . -10.300 -10.500 -10.100 . . sbm2 50 . N sbm2 50 . HN parsed_1b4c 1 102 . . . . . . . . . . . . . . . . -12.200 -12.400 -12.000 . . sbm2 51 . N sbm2 51 . HN parsed_1b4c 1 103 . . . . . . . . . . . . . . . . -3.5000 -3.7000 -3.3000 . . sbm2 56 . N sbm2 56 . HN parsed_1b4c 1 104 . . . . . . . . . . . . . . . . -4.1000 -4.3000 -3.9000 . . sbm2 59 . N sbm2 59 . HN parsed_1b4c 1 105 . . . . . . . . . . . . . . . . 5.600 5.400 5.800 . . sbm2 63 . N sbm2 63 . HN parsed_1b4c 1 106 . . . . . . . . . . . . . . . . 10.060 9.860 10.260 . . sbm2 65 . N sbm2 65 . HN parsed_1b4c 1 107 . . . . . . . . . . . . . . . . 11.500 11.300 11.700 . . sbm2 67 . N sbm2 67 . HN parsed_1b4c 1 108 . . . . . . . . . . . . . . . . 9.3000 9.1000 9.5000 . . sbm2 69 . N sbm2 69 . HN parsed_1b4c 1 109 . . . . . . . . . . . . . . . . -12.330 -12.530 -12.130 . . sbm2 80 . N sbm2 80 . HN parsed_1b4c 1 110 . . . . . . . . . . . . . . . . -11.500 -11.700 -11.300 . . sbm2 83 . N sbm2 83 . HN parsed_1b4c 1 111 . . . . . . . . . . . . . . . . 3.7800 3.5800 3.9800 . . sbm1 8 . CA sbm1 8 . HA parsed_1b4c 1 112 . . . . . . . . . . . . . . . . -2.5700 -2.7700 -2.3700 . . sbm1 9 . CA sbm1 9 . HA parsed_1b4c 1 113 . . . . . . . . . . . . . . . . -3.4300 -3.6300 -3.2300 . . sbm1 14 . CA sbm1 14 . HA parsed_1b4c 1 114 . . . . . . . . . . . . . . . . -8.6600 -8.8600 -8.4600 . . sbm1 16 . CA sbm1 16 . HA parsed_1b4c 1 115 . . . . . . . . . . . . . . . . 28.4000 28.2000 28.6000 . . sbm1 19 . CA sbm1 19 . HA# parsed_1b4c 1 116 . . . . . . . . . . . . . . . . 20.25 20.05 20.45 . . sbm1 20 . CA sbm1 20 . HA parsed_1b4c 1 117 . . . . . . . . . . . . . . . . -14.87 -15.07 -14.67 . . sbm1 21 . CA sbm1 21 . HA parsed_1b4c 1 118 . . . . . . . . . . . . . . . . -1.16 -1.36 -0.96 . . sbm1 22 . CA sbm1 22 . HA# parsed_1b4c 1 119 . . . . . . . . . . . . . . . . -17.1800 -17.3800 -16.9800 . . sbm1 26 . CA sbm1 26 . HA parsed_1b4c 1 120 . . . . . . . . . . . . . . . . -4.6000 -4.8000 -4.4000 . . sbm1 27 . CA sbm1 27 . HA parsed_1b4c 1 121 . . . . . . . . . . . . . . . . 26.9200 26.7200 27.1200 . . sbm1 28 . CA sbm1 28 . HA parsed_1b4c 1 122 . . . . . . . . . . . . . . . . -4.05 -4.25 -3.85 . . sbm1 29 . CA sbm1 29 . HA parsed_1b4c 1 123 . . . . . . . . . . . . . . . . 7.7200 7.5200 7.9200 . . sbm1 31 . CA sbm1 31 . HA parsed_1b4c 1 124 . . . . . . . . . . . . . . . . 24.3800 24.1800 24.5800 . . sbm1 32 . CA sbm1 32 . HA parsed_1b4c 1 125 . . . . . . . . . . . . . . . . -22.2900 -22.4900 -22.0900 . . sbm1 33 . CA sbm1 33 . HA parsed_1b4c 1 126 . . . . . . . . . . . . . . . . -15.7200 -15.9200 -15.5200 . . sbm1 34 . CA sbm1 34 . HA parsed_1b4c 1 127 . . . . . . . . . . . . . . . . 31.2500 31.0500 31.4500 . . sbm1 35 . CA sbm1 35 . HA parsed_1b4c 1 128 . . . . . . . . . . . . . . . . -0.9600 -1.1600 -0.7600 . . sbm1 36 . CA sbm1 36 . HA parsed_1b4c 1 129 . . . . . . . . . . . . . . . . -5.4300 -5.6300 -5.2300 . . sbm1 38 . CA sbm1 38 . HA parsed_1b4c 1 130 . . . . . . . . . . . . . . . . 2.61 2.41 2.81 . . sbm1 48 . CA sbm1 48 . HA parsed_1b4c 1 131 . . . . . . . . . . . . . . . . -15.84 -16.04 -15.64 . . sbm1 49 . CA sbm1 49 . HA parsed_1b4c 1 132 . . . . . . . . . . . . . . . . 29.5700 29.3700 29.7700 . . sbm1 52 . CA sbm1 52 . HA parsed_1b4c 1 133 . . . . . . . . . . . . . . . . -15.4800 -15.6800 -15.2800 . . sbm1 53 . CA sbm1 53 . HA parsed_1b4c 1 134 . . . . . . . . . . . . . . . . 2.6100 2.4100 2.8100 . . sbm1 54 . CA sbm1 54 . HA parsed_1b4c 1 135 . . . . . . . . . . . . . . . . 11.5600 11.3600 11.7600 . . sbm1 55 . CA sbm1 55 . HA parsed_1b4c 1 136 . . . . . . . . . . . . . . . . 2.8300 2.6300 3.0300 . . sbm1 56 . CA sbm1 56 . HA parsed_1b4c 1 137 . . . . . . . . . . . . . . . . -9.2900 -9.4900 -9.0900 . . sbm1 57 . CA sbm1 57 . HA parsed_1b4c 1 138 . . . . . . . . . . . . . . . . -14.9300 -15.1300 -14.7300 . . sbm1 58 . CA sbm1 58 . HA parsed_1b4c 1 139 . . . . . . . . . . . . . . . . 31.5600 31.3600 31.7600 . . sbm1 59 . CA sbm1 59 . HA parsed_1b4c 1 140 . . . . . . . . . . . . . . . . -12.3400 -12.5400 -12.1400 . . sbm1 60 . CA sbm1 60 . HA parsed_1b4c 1 141 . . . . . . . . . . . . . . . . -6.71 -6.91 -6.51 . . sbm1 62 . CA sbm1 62 . HA parsed_1b4c 1 142 . . . . . . . . . . . . . . . . 4.67 4.47 4.87 . . sbm1 63 . CA sbm1 63 . HA parsed_1b4c 1 143 . . . . . . . . . . . . . . . . -6.54 -6.74 -6.34 . . sbm1 64 . CA sbm1 64 . HA# parsed_1b4c 1 144 . . . . . . . . . . . . . . . . 30.94 30.74 31.14 . . sbm1 65 . CA sbm1 65 . HA parsed_1b4c 1 145 . . . . . . . . . . . . . . . . -12.09 -12.29 -11.89 . . sbm1 66 . CA sbm1 66 . HA# parsed_1b4c 1 146 . . . . . . . . . . . . . . . . 3.3700 3.1700 3.5700 . . sbm1 70 . CA sbm1 70 . HA parsed_1b4c 1 147 . . . . . . . . . . . . . . . . 7.6900 7.4900 7.8900 . . sbm1 71 . CA sbm1 71 . HA parsed_1b4c 1 148 . . . . . . . . . . . . . . . . -8.3500 -8.5500 -8.1500 . . sbm1 72 . CA sbm1 72 . HA parsed_1b4c 1 149 . . . . . . . . . . . . . . . . -10.5200 -10.7200 -10.3200 . . sbm1 73 . CA sbm1 73 . HA parsed_1b4c 1 150 . . . . . . . . . . . . . . . . 25.3300 25.1300 25.5300 . . sbm1 74 . CA sbm1 74 . HA parsed_1b4c 1 151 . . . . . . . . . . . . . . . . -18.5400 -18.7400 -18.3400 . . sbm1 75 . CA sbm1 75 . HA parsed_1b4c 1 152 . . . . . . . . . . . . . . . . -15.5900 -15.7900 -15.3900 . . sbm1 79 . CA sbm1 79 . HA parsed_1b4c 1 153 . . . . . . . . . . . . . . . . -0.54 -0.74 -0.34 . . sbm1 80 . CA sbm1 80 . HA parsed_1b4c 1 154 . . . . . . . . . . . . . . . . -1.47 -1.67 -1.27 . . sbm1 88 . CA sbm1 88 . HA parsed_1b4c 1 155 . . . . . . . . . . . . . . . . 3.7800 3.5800 3.9800 . . sbm2 8 . CA sbm2 8 . HA parsed_1b4c 1 156 . . . . . . . . . . . . . . . . -2.5700 -2.7700 -2.3700 . . sbm2 9 . CA sbm2 9 . HA parsed_1b4c 1 157 . . . . . . . . . . . . . . . . -3.4300 -3.6300 -3.2300 . . sbm2 14 . CA sbm2 14 . HA parsed_1b4c 1 158 . . . . . . . . . . . . . . . . -8.6600 -8.8600 -8.4600 . . sbm2 16 . CA sbm2 16 . HA parsed_1b4c 1 159 . . . . . . . . . . . . . . . . 28.400 28.200 28.600 . . sbm2 19 . CA sbm2 19 . HA# parsed_1b4c 1 160 . . . . . . . . . . . . . . . . 20.2500 20.0500 20.4500 . . sbm2 20 . CA sbm2 20 . HA parsed_1b4c 1 161 . . . . . . . . . . . . . . . . -14.8700 -15.0700 -14.6700 . . sbm2 21 . CA sbm2 21 . HA parsed_1b4c 1 162 . . . . . . . . . . . . . . . . -1.1600 -1.3600 -0.9600 . . sbm2 22 . CA sbm2 22 . HA# parsed_1b4c 1 163 . . . . . . . . . . . . . . . . -17.1800 -17.3800 -16.9800 . . sbm2 26 . CA sbm2 26 . HA parsed_1b4c 1 164 . . . . . . . . . . . . . . . . -4.6000 -4.8000 -4.4000 . . sbm2 27 . CA sbm2 27 . HA parsed_1b4c 1 165 . . . . . . . . . . . . . . . . 26.9200 26.7200 27.1200 . . sbm2 28 . CA sbm2 28 . HA parsed_1b4c 1 166 . . . . . . . . . . . . . . . . -4.0500 -4.2500 -3.8500 . . sbm2 29 . CA sbm2 29 . HA parsed_1b4c 1 167 . . . . . . . . . . . . . . . . 7.7200 7.5200 7.9200 . . sbm2 31 . CA sbm2 31 . HA parsed_1b4c 1 168 . . . . . . . . . . . . . . . . 24.3800 24.1800 24.5800 . . sbm2 32 . CA sbm2 32 . HA parsed_1b4c 1 169 . . . . . . . . . . . . . . . . -22.2900 -22.4900 -22.0900 . . sbm2 33 . CA sbm2 33 . HA parsed_1b4c 1 170 . . . . . . . . . . . . . . . . -15.7200 -15.9200 -15.5200 . . sbm2 34 . CA sbm2 34 . HA parsed_1b4c 1 171 . . . . . . . . . . . . . . . . 31.2500 31.0500 31.4500 . . sbm2 35 . CA sbm2 35 . HA parsed_1b4c 1 172 . . . . . . . . . . . . . . . . -0.9600 -1.1600 -0.7600 . . sbm2 36 . CA sbm2 36 . HA parsed_1b4c 1 173 . . . . . . . . . . . . . . . . -5.4300 -5.6300 -5.2300 . . sbm2 38 . CA sbm2 38 . HA parsed_1b4c 1 174 . . . . . . . . . . . . . . . . 2.6100 2.4100 2.8100 . . sbm2 48 . CA sbm2 48 . HA parsed_1b4c 1 175 . . . . . . . . . . . . . . . . -15.8400 -16.0400 -15.6400 . . sbm2 49 . CA sbm2 49 . HA parsed_1b4c 1 176 . . . . . . . . . . . . . . . . 29.5700 29.3700 29.7700 . . sbm2 52 . CA sbm2 52 . HA parsed_1b4c 1 177 . . . . . . . . . . . . . . . . -15.4800 -15.6800 -15.2800 . . sbm2 53 . CA sbm2 53 . HA parsed_1b4c 1 178 . . . . . . . . . . . . . . . . 2.6100 2.4100 2.8100 . . sbm2 54 . CA sbm2 54 . HA parsed_1b4c 1 179 . . . . . . . . . . . . . . . . 11.5600 11.3600 11.7600 . . sbm2 55 . CA sbm2 55 . HA parsed_1b4c 1 180 . . . . . . . . . . . . . . . . 2.8300 2.6300 3.0300 . . sbm2 56 . CA sbm2 56 . HA parsed_1b4c 1 181 . . . . . . . . . . . . . . . . -9.2900 -9.4900 -9.0900 . . sbm2 57 . CA sbm2 57 . HA parsed_1b4c 1 182 . . . . . . . . . . . . . . . . -14.9300 -15.1300 -14.7300 . . sbm2 58 . CA sbm2 58 . HA parsed_1b4c 1 183 . . . . . . . . . . . . . . . . 31.5600 31.3600 31.7600 . . sbm2 59 . CA sbm2 59 . HA parsed_1b4c 1 184 . . . . . . . . . . . . . . . . -12.3400 -12.5400 -12.1400 . . sbm2 60 . CA sbm2 60 . HA parsed_1b4c 1 185 . . . . . . . . . . . . . . . . -6.7100 -6.9100 -6.5100 . . sbm2 62 . CA sbm2 62 . HA parsed_1b4c 1 186 . . . . . . . . . . . . . . . . 3.3700 3.1700 3.5700 . . sbm2 70 . CA sbm2 70 . HA parsed_1b4c 1 187 . . . . . . . . . . . . . . . . 7.6900 7.4900 7.8900 . . sbm2 71 . CA sbm2 71 . HA parsed_1b4c 1 188 . . . . . . . . . . . . . . . . -8.3500 -8.5500 -8.1500 . . sbm2 72 . CA sbm2 72 . HA parsed_1b4c 1 189 . . . . . . . . . . . . . . . . -10.5200 -10.7200 -10.3200 . . sbm2 73 . CA sbm2 73 . HA parsed_1b4c 1 190 . . . . . . . . . . . . . . . . 25.3300 25.1300 25.5300 . . sbm2 74 . CA sbm2 74 . HA parsed_1b4c 1 191 . . . . . . . . . . . . . . . . -18.5400 -18.7400 -18.3400 . . sbm2 75 . CA sbm2 75 . HA parsed_1b4c 1 192 . . . . . . . . . . . . . . . . -15.5900 -15.7900 -15.3900 . . sbm2 79 . CA sbm2 79 . HA parsed_1b4c 1 193 . . . . . . . . . . . . . . . . -0.5400 -0.7400 -0.3400 . . sbm2 80 . CA sbm2 80 . HA parsed_1b4c 1 194 . . . . . . . . . . . . . . . . -26.0000 -26.2000 -25.8000 . . sbm1 30 . CA sbm1 30 . HA parsed_1b4c 1 195 . . . . . . . . . . . . . . . . 22.1500 21.9500 22.3500 . . sbm1 41 . CA sbm1 41 . HA parsed_1b4c 1 196 . . . . . . . . . . . . . . . . 22.5300 22.3300 22.7300 . . sbm1 68 . CA sbm1 68 . HA parsed_1b4c 1 197 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm1 76 . CA sbm1 76 . HA parsed_1b4c 1 198 . . . . . . . . . . . . . . . . -26.0000 -26.2000 -25.8000 . . sbm2 30 . CA sbm2 30 . HA parsed_1b4c 1 199 . . . . . . . . . . . . . . . . 22.1500 21.9500 22.3500 . . sbm2 41 . CA sbm2 41 . HA parsed_1b4c 1 200 . . . . . . . . . . . . . . . . 22.5300 22.3300 22.7300 . . sbm2 68 . CA sbm2 68 . HA parsed_1b4c 1 201 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm2 76 . CA sbm2 76 . HA parsed_1b4c 1 202 . . . . . . . . . . . . . . . . 30.9700 30.7700 31.1700 . . sbm1 4 . CA sbm1 4 . HA parsed_1b4c 1 203 . . . . . . . . . . . . . . . . -23.7000 -23.9000 -23.5000 . . sbm1 5 . CA sbm1 5 . HA parsed_1b4c 1 204 . . . . . . . . . . . . . . . . 3.4700 3.2700 3.6700 . . sbm1 6 . CA sbm1 6 . HA parsed_1b4c 1 205 . . . . . . . . . . . . . . . . -16.32 -16.52 -16.12 . . sbm1 10 . CA sbm1 10 . HA parsed_1b4c 1 206 . . . . . . . . . . . . . . . . -16.32 -16.52 -16.12 . . sbm2 10 . CA sbm2 10 . HA parsed_1b4c 1 207 . . . . . . . . . . . . . . . . 32.7000 32.5000 32.9000 . . sbm1 11 . CA sbm1 11 . HA parsed_1b4c 1 208 . . . . . . . . . . . . . . . . -25.1000 -25.3000 -24.9000 . . sbm1 12 . CA sbm1 12 . HA parsed_1b4c 1 209 . . . . . . . . . . . . . . . . 4.7000 4.5000 4.9000 . . sbm1 13 . CA sbm1 13 . HA parsed_1b4c 1 210 . . . . . . . . . . . . . . . . -29.5100 -29.7100 -29.3100 . . sbm1 37 . CA sbm1 37 . HA parsed_1b4c 1 211 . . . . . . . . . . . . . . . . 15.2000 15.0000 15.4000 . . sbm1 67 . CA sbm1 67 . HA parsed_1b4c 1 212 . . . . . . . . . . . . . . . . 30.9700 30.7700 31.1700 . . sbm2 4 . CA sbm2 4 . HA parsed_1b4c 1 213 . . . . . . . . . . . . . . . . -23.7000 -23.9000 -23.5000 . . sbm2 5 . CA sbm2 5 . HA parsed_1b4c 1 214 . . . . . . . . . . . . . . . . 3.4700 3.2700 3.6700 . . sbm2 6 . CA sbm2 6 . HA parsed_1b4c 1 215 . . . . . . . . . . . . . . . . 32.7000 32.5000 32.9000 . . sbm2 11 . CA sbm2 11 . HA parsed_1b4c 1 216 . . . . . . . . . . . . . . . . -25.1000 -25.3000 -24.9000 . . sbm2 12 . CA sbm2 12 . HA parsed_1b4c 1 217 . . . . . . . . . . . . . . . . 4.7000 4.5000 4.9000 . . sbm2 13 . CA sbm2 13 . HA parsed_1b4c 1 218 . . . . . . . . . . . . . . . . -29.5100 -29.7100 -29.3100 . . sbm2 37 . CA sbm2 37 . HA parsed_1b4c 1 219 . . . . . . . . . . . . . . . . 15.2000 15.0000 15.4000 . . sbm2 67 . CA sbm2 67 . HA parsed_1b4c 1 220 . . . . . . . . . . . . . . . . 61.6900 11.6900 61.8900 . . sbm1 1 . CA sbm1 1 . HA parsed_1b4c 1 221 . . . . . . . . . . . . . . . . -55.62 -55.82 -5.62 . . sbm1 24 . CA sbm1 24 . HA parsed_1b4c 1 222 . . . . . . . . . . . . . . . . 65.63 15.63 65.83 . . sbm1 25 . CA sbm1 25 . HA parsed_1b4c 1 223 . . . . . . . . . . . . . . . . 55.50 5.50 55.70 . . sbm1 50 . CA sbm1 50 . HA parsed_1b4c 1 224 . . . . . . . . . . . . . . . . -63.27 -63.47 -13.27 . . sbm1 51 . CA sbm1 51 . HA parsed_1b4c 1 225 . . . . . . . . . . . . . . . . 50.7800 0.7800 50.9800 . . sbm1 89 . CA sbm1 89 . HA parsed_1b4c 1 226 . . . . . . . . . . . . . . . . 57.62 7.62 57.82 . . sbm1 90 . CA sbm1 90 . HA parsed_1b4c 1 227 . . . . . . . . . . . . . . . . 67.7 17.7 67.9 . . sbm2 1 . CA sbm2 1 . HA parsed_1b4c 1 228 . . . . . . . . . . . . . . . . -55.6200 -55.8200 -5.6200 . . sbm2 24 . CA sbm2 24 . HA parsed_1b4c 1 229 . . . . . . . . . . . . . . . . 65.6300 15.6300 65.8300 . . sbm2 25 . CA sbm2 25 . HA parsed_1b4c 1 230 . . . . . . . . . . . . . . . . 55.5000 5.5000 55.7000 . . sbm2 50 . CA sbm2 50 . HA parsed_1b4c 1 231 . . . . . . . . . . . . . . . . -63.2700 -63.4700 -13.2700 . . sbm2 51 . CA sbm2 51 . HA parsed_1b4c 1 232 . . . . . . . . . . . . . . . . -51.4700 -51.6700 -1.4700 . . sbm2 88 . CA sbm2 88 . HA parsed_1b4c 1 233 . . . . . . . . . . . . . . . . 57.6200 7.6200 57.8200 . . sbm2 90 . CA sbm2 90 . HA parsed_1b4c 1 234 . . . . . . . . . . . . . . . . 1.7300 1.5300 1.9300 . . sbm1 6 . C sbm1 6 . CA parsed_1b4c 1 235 . . . . . . . . . . . . . . . . 1.7300 1.5300 1.9300 . . sbm2 6 . C sbm2 6 . CA parsed_1b4c 1 236 . . . . . . . . . . . . . . . . 0.0500 -0.1500 0.2500 . . sbm1 15 . C sbm1 15 . CA parsed_1b4c 1 237 . . . . . . . . . . . . . . . . 0.0500 -0.1500 0.2500 . . sbm2 15 . C sbm2 15 . CA parsed_1b4c 1 238 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm1 16 . C sbm1 16 . CA parsed_1b4c 1 239 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm2 16 . C sbm2 16 . CA parsed_1b4c 1 240 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm1 19 . C sbm1 19 . CA parsed_1b4c 1 241 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm2 19 . C sbm2 19 . CA parsed_1b4c 1 242 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm1 20 . C sbm1 20 . CA parsed_1b4c 1 243 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm2 20 . C sbm2 20 . CA parsed_1b4c 1 244 . . . . . . . . . . . . . . . . 0.5300 0.3300 0.7300 . . sbm1 21 . C sbm1 21 . CA parsed_1b4c 1 245 . . . . . . . . . . . . . . . . 0.5300 0.3300 0.7300 . . sbm2 21 . C sbm2 21 . CA parsed_1b4c 1 246 . . . . . . . . . . . . . . . . -1.0500 -1.2500 -0.8500 . . sbm1 22 . C sbm1 22 . CA parsed_1b4c 1 247 . . . . . . . . . . . . . . . . -1.0500 -1.2500 -0.8500 . . sbm2 22 . C sbm2 22 . CA parsed_1b4c 1 248 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm1 24 . C sbm1 24 . CA parsed_1b4c 1 249 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm2 24 . C sbm2 24 . CA parsed_1b4c 1 250 . . . . . . . . . . . . . . . . 0.2300 0.0300 0.4300 . . sbm1 25 . C sbm1 25 . CA parsed_1b4c 1 251 . . . . . . . . . . . . . . . . 0.2300 0.0300 0.4300 . . sbm2 25 . C sbm2 25 . CA parsed_1b4c 1 252 . . . . . . . . . . . . . . . . -0.1700 -0.3700 0.0300 . . sbm1 26 . C sbm1 26 . CA parsed_1b4c 1 253 . . . . . . . . . . . . . . . . -0.1700 -0.3700 0.0300 . . sbm2 26 . C sbm2 26 . CA parsed_1b4c 1 254 . . . . . . . . . . . . . . . . 1.7200 1.5200 1.9200 . . sbm1 27 . C sbm1 27 . CA parsed_1b4c 1 255 . . . . . . . . . . . . . . . . 1.7200 1.5200 1.9200 . . sbm2 27 . C sbm2 27 . CA parsed_1b4c 1 256 . . . . . . . . . . . . . . . . -3.5500 -3.7500 -3.3500 . . sbm1 28 . C sbm1 28 . CA parsed_1b4c 1 257 . . . . . . . . . . . . . . . . -3.5500 -3.7500 -3.3500 . . sbm2 28 . C sbm2 28 . CA parsed_1b4c 1 258 . . . . . . . . . . . . . . . . 3.6300 3.4300 3.8300 . . sbm1 30 . C sbm1 30 . CA parsed_1b4c 1 259 . . . . . . . . . . . . . . . . 3.6300 3.4300 3.8300 . . sbm2 30 . C sbm2 30 . CA parsed_1b4c 1 260 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm1 31 . C sbm1 31 . CA parsed_1b4c 1 261 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm2 31 . C sbm2 31 . CA parsed_1b4c 1 262 . . . . . . . . . . . . . . . . -1.2200 -1.4200 -1.0200 . . sbm1 32 . C sbm1 32 . CA parsed_1b4c 1 263 . . . . . . . . . . . . . . . . -1.2200 -1.4200 -1.0200 . . sbm2 32 . C sbm2 32 . CA parsed_1b4c 1 264 . . . . . . . . . . . . . . . . 3.2500 3.0500 3.4500 . . sbm1 33 . C sbm1 33 . CA parsed_1b4c 1 265 . . . . . . . . . . . . . . . . 3.2500 3.0500 3.4500 . . sbm2 33 . C sbm2 33 . CA parsed_1b4c 1 266 . . . . . . . . . . . . . . . . 0.4000 0.2000 0.6000 . . sbm1 34 . C sbm1 34 . CA parsed_1b4c 1 267 . . . . . . . . . . . . . . . . 0.4000 0.2000 0.6000 . . sbm2 34 . C sbm2 34 . CA parsed_1b4c 1 268 . . . . . . . . . . . . . . . . 1.1100 0.9100 1.3100 . . sbm1 36 . C sbm1 36 . CA parsed_1b4c 1 269 . . . . . . . . . . . . . . . . 1.1100 0.9100 1.3100 . . sbm2 36 . C sbm2 36 . CA parsed_1b4c 1 270 . . . . . . . . . . . . . . . . 3.3000 3.1000 3.5000 . . sbm1 37 . C sbm1 37 . CA parsed_1b4c 1 271 . . . . . . . . . . . . . . . . 3.3000 3.1000 3.5000 . . sbm2 37 . C sbm2 37 . CA parsed_1b4c 1 272 . . . . . . . . . . . . . . . . -0.3400 -0.5400 -0.1400 . . sbm1 38 . C sbm1 38 . CA parsed_1b4c 1 273 . . . . . . . . . . . . . . . . -0.3400 -0.5400 -0.1400 . . sbm2 38 . C sbm2 38 . CA parsed_1b4c 1 274 . . . . . . . . . . . . . . . . -1.4700 -1.6700 -1.2700 . . sbm1 49 . C sbm1 49 . CA parsed_1b4c 1 275 . . . . . . . . . . . . . . . . -1.4700 -1.6700 -1.2700 . . sbm2 49 . C sbm2 49 . CA parsed_1b4c 1 276 . . . . . . . . . . . . . . . . 2.0400 1.8400 2.2400 . . sbm1 50 . C sbm1 50 . CA parsed_1b4c 1 277 . . . . . . . . . . . . . . . . 2.0400 1.8400 2.2400 . . sbm2 50 . C sbm2 50 . CA parsed_1b4c 1 278 . . . . . . . . . . . . . . . . -1.7600 -1.9600 -1.5600 . . sbm1 51 . C sbm1 51 . CA parsed_1b4c 1 279 . . . . . . . . . . . . . . . . -1.7600 -1.9600 -1.5600 . . sbm2 51 . C sbm2 51 . CA parsed_1b4c 1 280 . . . . . . . . . . . . . . . . -1.1900 -1.3900 -0.9900 . . sbm1 52 . C sbm1 52 . CA parsed_1b4c 1 281 . . . . . . . . . . . . . . . . -1.1900 -1.3900 -0.9900 . . sbm2 52 . C sbm2 52 . CA parsed_1b4c 1 282 . . . . . . . . . . . . . . . . 0.5800 0.3800 0.7800 . . sbm1 53 . C sbm1 53 . CA parsed_1b4c 1 283 . . . . . . . . . . . . . . . . 0.5800 0.3800 0.7800 . . sbm2 53 . C sbm2 53 . CA parsed_1b4c 1 284 . . . . . . . . . . . . . . . . 0.0400 -0.1600 0.2400 . . sbm1 54 . C sbm1 54 . CA parsed_1b4c 1 285 . . . . . . . . . . . . . . . . 0.0400 -0.1600 0.2400 . . sbm2 54 . C sbm2 54 . CA parsed_1b4c 1 286 . . . . . . . . . . . . . . . . -1.6600 -1.8600 -1.4600 . . sbm1 55 . C sbm1 55 . CA parsed_1b4c 1 287 . . . . . . . . . . . . . . . . -1.6600 -1.8600 -1.4600 . . sbm2 55 . C sbm2 55 . CA parsed_1b4c 1 288 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm1 56 . C sbm1 56 . CA parsed_1b4c 1 289 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm2 56 . C sbm2 56 . CA parsed_1b4c 1 290 . . . . . . . . . . . . . . . . 2.1100 1.9100 2.3100 . . sbm1 57 . C sbm1 57 . CA parsed_1b4c 1 291 . . . . . . . . . . . . . . . . 2.1100 1.9100 2.3100 . . sbm2 57 . C sbm2 57 . CA parsed_1b4c 1 292 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm1 58 . C sbm1 58 . CA parsed_1b4c 1 293 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm2 58 . C sbm2 58 . CA parsed_1b4c 1 294 . . . . . . . . . . . . . . . . -2.0600 -2.2600 -1.8600 . . sbm1 62 . C sbm1 62 . CA parsed_1b4c 1 295 . . . . . . . . . . . . . . . . -2.0600 -2.2600 -1.8600 . . sbm2 62 . C sbm2 62 . CA parsed_1b4c 1 296 . . . . . . . . . . . . . . . . 2.3100 2.1100 2.5100 . . sbm1 63 . C sbm1 63 . CA parsed_1b4c 1 297 . . . . . . . . . . . . . . . . 2.3100 2.1100 2.5100 . . sbm2 63 . C sbm2 63 . CA parsed_1b4c 1 298 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm1 64 . C sbm1 64 . CA parsed_1b4c 1 299 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm2 64 . C sbm2 64 . CA parsed_1b4c 1 300 . . . . . . . . . . . . . . . . -0.4600 -0.6600 -0.2600 . . sbm1 65 . C sbm1 65 . CA parsed_1b4c 1 301 . . . . . . . . . . . . . . . . -0.4600 -0.6600 -0.2600 . . sbm2 65 . C sbm2 65 . CA parsed_1b4c 1 302 . . . . . . . . . . . . . . . . 2.7800 2.5800 2.9800 . . sbm1 66 . C sbm1 66 . CA parsed_1b4c 1 303 . . . . . . . . . . . . . . . . 2.7800 2.5800 2.9800 . . sbm2 66 . C sbm2 66 . CA parsed_1b4c 1 304 . . . . . . . . . . . . . . . . -1.5600 -1.7600 -1.3600 . . sbm1 67 . C sbm1 67 . CA parsed_1b4c 1 305 . . . . . . . . . . . . . . . . -1.5600 -1.7600 -1.3600 . . sbm2 67 . C sbm2 67 . CA parsed_1b4c 1 306 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm1 70 . C sbm1 70 . CA parsed_1b4c 1 307 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm2 70 . C sbm2 70 . CA parsed_1b4c 1 308 . . . . . . . . . . . . . . . . -0.6600 -0.8600 -0.4600 . . sbm1 71 . C sbm1 71 . CA parsed_1b4c 1 309 . . . . . . . . . . . . . . . . -0.6600 -0.8600 -0.4600 . . sbm2 71 . C sbm2 71 . CA parsed_1b4c 1 310 . . . . . . . . . . . . . . . . 0.9900 0.7900 1.1900 . . sbm1 72 . C sbm1 72 . CA parsed_1b4c 1 311 . . . . . . . . . . . . . . . . 0.9900 0.7900 1.1900 . . sbm2 72 . C sbm2 72 . CA parsed_1b4c 1 312 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm1 73 . C sbm1 73 . CA parsed_1b4c 1 313 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm2 73 . C sbm2 73 . CA parsed_1b4c 1 314 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm1 74 . C sbm1 74 . CA parsed_1b4c 1 315 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm2 74 . C sbm2 74 . CA parsed_1b4c 1 316 . . . . . . . . . . . . . . . . -2.2000 -2.4000 -2.0000 . . sbm1 77 . C sbm1 77 . CA parsed_1b4c 1 317 . . . . . . . . . . . . . . . . -2.2000 -2.4000 -2.0000 . . sbm2 77 . C sbm2 77 . CA parsed_1b4c 1 318 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm1 78 . C sbm1 78 . CA parsed_1b4c 1 319 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm2 78 . C sbm2 78 . CA parsed_1b4c 1 320 . . . . . . . . . . . . . . . . 0.7700 0.5700 0.9700 . . sbm1 79 . C sbm1 79 . CA parsed_1b4c 1 321 . . . . . . . . . . . . . . . . 0.7700 0.5700 0.9700 . . sbm2 79 . C sbm2 79 . CA parsed_1b4c 1 322 . . . . . . . . . . . . . . . . 1.0800 0.8800 1.2800 . . sbm1 80 . C sbm1 80 . CA parsed_1b4c 1 323 . . . . . . . . . . . . . . . . 1.0800 0.8800 1.2800 . . sbm2 80 . C sbm2 80 . CA parsed_1b4c 1 324 . . . . . . . . . . . . . . . . -0.0700 -0.2700 0.1300 . . sbm1 4 . C sbm1 4 . CA parsed_1b4c 1 325 . . . . . . . . . . . . . . . . -0.0700 -0.2700 0.1300 . . sbm2 4 . C sbm2 4 . CA parsed_1b4c 1 326 . . . . . . . . . . . . . . . . 2.8100 2.6100 3.0100 . . sbm1 9 . C sbm1 9 . CA parsed_1b4c 1 327 . . . . . . . . . . . . . . . . 2.8100 2.6100 3.0100 . . sbm2 9 . C sbm2 9 . CA parsed_1b4c 1 328 . . . . . . . . . . . . . . . . 1.7600 1.5600 1.9600 . . sbm1 13 . C sbm1 13 . CA parsed_1b4c 1 329 . . . . . . . . . . . . . . . . 1.7600 1.5600 1.9600 . . sbm2 13 . C sbm2 13 . CA parsed_1b4c 1 330 . . . . . . . . . . . . . . . . -2.2400 -2.4400 -2.0400 . . sbm1 39 . C sbm1 39 . CA parsed_1b4c 1 331 . . . . . . . . . . . . . . . . -2.2400 -2.4400 -2.0400 . . sbm2 39 . C sbm2 39 . CA parsed_1b4c 1 332 . . . . . . . . . . . . . . . . -1.2700 -1.4700 -1.0700 . . sbm1 40 . C sbm1 40 . CA parsed_1b4c 1 333 . . . . . . . . . . . . . . . . -1.2700 -1.4700 -1.0700 . . sbm2 40 . C sbm2 40 . CA parsed_1b4c 1 334 . . . . . . . . . . . . . . . . -3.3400 -3.5400 -3.1400 . . sbm1 0 . C sbm1 0 . CA parsed_1b4c 1 335 . . . . . . . . . . . . . . . . -3.3400 -3.5400 -3.1400 . . sbm2 0 . C sbm2 0 . CA parsed_1b4c 1 336 . . . . . . . . . . . . . . . . -0.8700 -1.0700 -0.6700 . . sbm1 1 . C sbm1 1 . CA parsed_1b4c 1 337 . . . . . . . . . . . . . . . . -0.8700 -1.0700 -0.6700 . . sbm2 1 . C sbm2 1 . CA parsed_1b4c 1 338 . . . . . . . . . . . . . . . . 1.3200 1.1200 1.5200 . . sbm1 2 . C sbm1 2 . CA parsed_1b4c 1 339 . . . . . . . . . . . . . . . . 1.3200 1.1200 1.5200 . . sbm2 2 . C sbm2 2 . CA parsed_1b4c 1 340 . . . . . . . . . . . . . . . . -1.8100 -2.0100 -1.6100 . . sbm1 3 . C sbm1 3 . CA parsed_1b4c 1 341 . . . . . . . . . . . . . . . . -1.8100 -2.0100 -1.6100 . . sbm2 3 . C sbm2 3 . CA parsed_1b4c 1 342 . . . . . . . . . . . . . . . . 0.420 0.220 0.620 . . sbm1 5 . C sbm1 5 . CA parsed_1b4c 1 343 . . . . . . . . . . . . . . . . 0.420 0.220 0.620 . . sbm2 5 . C sbm2 5 . CA parsed_1b4c 1 344 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm1 7 . C sbm1 7 . CA parsed_1b4c 1 345 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm2 7 . C sbm2 7 . CA parsed_1b4c 1 346 . . . . . . . . . . . . . . . . -0.1900 -0.3900 0.0100 . . sbm1 12 . C sbm1 12 . CA parsed_1b4c 1 347 . . . . . . . . . . . . . . . . -0.1900 -0.3900 0.0100 . . sbm2 12 . C sbm2 12 . CA parsed_1b4c 1 348 . . . . . . . . . . . . . . . . -0.6800 -0.8800 -0.4800 . . sbm1 29 . C sbm1 29 . CA parsed_1b4c 1 349 . . . . . . . . . . . . . . . . -0.6800 -0.8800 -0.4800 . . sbm2 29 . C sbm2 29 . CA parsed_1b4c 1 350 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm1 35 . C sbm1 35 . CA parsed_1b4c 1 351 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm2 35 . C sbm2 35 . CA parsed_1b4c 1 352 . . . . . . . . . . . . . . . . -1.4100 -1.6100 -1.2100 . . sbm1 41 . C sbm1 41 . CA parsed_1b4c 1 353 . . . . . . . . . . . . . . . . -1.4100 -1.6100 -1.2100 . . sbm2 41 . C sbm2 41 . CA parsed_1b4c 1 354 . . . . . . . . . . . . . . . . -1.4900 -1.6900 -1.2900 . . sbm1 43 . C sbm1 43 . CA parsed_1b4c 1 355 . . . . . . . . . . . . . . . . -1.4900 -1.6900 -1.2900 . . sbm2 43 . C sbm2 43 . CA parsed_1b4c 1 356 . . . . . . . . . . . . . . . . -1.1500 -1.3500 -0.9500 . . sbm1 45 . C sbm1 45 . CA parsed_1b4c 1 357 . . . . . . . . . . . . . . . . -1.1500 -1.3500 -0.9500 . . sbm2 45 . C sbm2 45 . CA parsed_1b4c 1 358 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm1 59 . C sbm1 59 . CA parsed_1b4c 1 359 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm2 59 . C sbm2 59 . CA parsed_1b4c 1 360 . . . . . . . . . . . . . . . . -1.2400 -1.4400 -1.0400 . . sbm1 60 . C sbm1 60 . CA parsed_1b4c 1 361 . . . . . . . . . . . . . . . . -1.2400 -1.4400 -1.0400 . . sbm2 60 . C sbm2 60 . CA parsed_1b4c 1 362 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm1 75 . C sbm1 75 . CA parsed_1b4c 1 363 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm2 75 . C sbm2 75 . CA parsed_1b4c 1 364 . . . . . . . . . . . . . . . . 0.2600 0.0600 0.4600 . . sbm1 88 . C sbm1 88 . CA parsed_1b4c 1 365 . . . . . . . . . . . . . . . . 0.2600 0.0600 0.4600 . . sbm2 88 . C sbm2 88 . CA parsed_1b4c 1 366 . . . . . . . . . . . . . . . . -0.3900 -0.5900 -0.1900 . . sbm1 89 . C sbm1 89 . CA parsed_1b4c 1 367 . . . . . . . . . . . . . . . . -0.3900 -0.5900 -0.1900 . . sbm2 89 . C sbm2 89 . CA parsed_1b4c 1 368 . . . . . . . . . . . . . . . . -0.7900 -0.9900 -0.5900 . . sbm1 90 . C sbm1 90 . CA parsed_1b4c 1 369 . . . . . . . . . . . . . . . . -0.7900 -0.9900 -0.5900 . . sbm2 90 . C sbm2 90 . CA parsed_1b4c 1 370 . . . . . . . . . . . . . . . . -0.0300 -0.2300 0.1700 . . sbm1 16 . C sbm1 17 . HN parsed_1b4c 1 371 . . . . . . . . . . . . . . . . 3.0800 2.8800 3.2800 . . sbm1 18 . C sbm1 19 . HN parsed_1b4c 1 372 . . . . . . . . . . . . . . . . -3.8900 -4.0900 -3.6900 . . sbm1 21 . C sbm1 22 . HN parsed_1b4c 1 373 . . . . . . . . . . . . . . . . -1.9000 -2.1000 -1.7000 . . sbm1 25 . C sbm1 26 . HN parsed_1b4c 1 374 . . . . . . . . . . . . . . . . 4.8600 4.6600 5.0600 . . sbm1 28 . C sbm1 29 . HN parsed_1b4c 1 375 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm1 30 . C sbm1 31 . HN parsed_1b4c 1 376 . . . . . . . . . . . . . . . . -2.5900 -2.7900 -2.3900 . . sbm1 33 . C sbm1 34 . HN parsed_1b4c 1 377 . . . . . . . . . . . . . . . . 0.7800 0.5800 0.9800 . . sbm1 34 . C sbm1 35 . HN parsed_1b4c 1 378 . . . . . . . . . . . . . . . . 1.1000 0.9000 1.3000 . . sbm1 51 . C sbm1 52 . HN parsed_1b4c 1 379 . . . . . . . . . . . . . . . . 1.7500 1.5500 1.9500 . . sbm1 52 . C sbm1 53 . HN parsed_1b4c 1 380 . . . . . . . . . . . . . . . . 3.6700 3.4700 3.8700 . . sbm1 55 . C sbm1 56 . HN parsed_1b4c 1 381 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm1 57 . C sbm1 58 . HN parsed_1b4c 1 382 . . . . . . . . . . . . . . . . 3.1800 2.9800 3.3800 . . sbm1 59 . C sbm1 60 . HN parsed_1b4c 1 383 . . . . . . . . . . . . . . . . -2.6100 -2.8100 -2.4100 . . sbm1 60 . C sbm1 61 . HN parsed_1b4c 1 384 . . . . . . . . . . . . . . . . -0.4800 -0.6800 -0.2800 . . sbm1 63 . C sbm1 64 . HN parsed_1b4c 1 385 . . . . . . . . . . . . . . . . 4.35000 4.15000 4.55000 . . sbm1 67 . C sbm1 68 . HN parsed_1b4c 1 386 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm1 69 . C sbm1 70 . HN parsed_1b4c 1 387 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 72 . C sbm1 73 . HN parsed_1b4c 1 388 . . . . . . . . . . . . . . . . -1.8500 -2.0500 -1.6500 . . sbm1 73 . C sbm1 74 . HN parsed_1b4c 1 389 . . . . . . . . . . . . . . . . 1.6500 1.4500 1.8500 . . sbm1 74 . C sbm1 75 . HN parsed_1b4c 1 390 . . . . . . . . . . . . . . . . -0.0300 -0.2300 0.1700 . . sbm2 16 . C sbm2 17 . HN parsed_1b4c 1 391 . . . . . . . . . . . . . . . . 3.0800 2.8800 3.2800 . . sbm2 18 . C sbm2 19 . HN parsed_1b4c 1 392 . . . . . . . . . . . . . . . . -3.8900 -4.0900 -3.6900 . . sbm2 21 . C sbm2 22 . HN parsed_1b4c 1 393 . . . . . . . . . . . . . . . . -1.9000 -2.1000 -1.7000 . . sbm2 25 . C sbm2 26 . HN parsed_1b4c 1 394 . . . . . . . . . . . . . . . . 4.8600 4.6600 5.0600 . . sbm2 28 . C sbm2 29 . HN parsed_1b4c 1 395 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm2 30 . C sbm2 31 . HN parsed_1b4c 1 396 . . . . . . . . . . . . . . . . -2.5900 -2.7900 -2.3900 . . sbm2 33 . C sbm2 34 . HN parsed_1b4c 1 397 . . . . . . . . . . . . . . . . 0.7800 0.5800 0.9800 . . sbm2 34 . C sbm2 35 . HN parsed_1b4c 1 398 . . . . . . . . . . . . . . . . 1.1000 0.9000 1.3000 . . sbm2 51 . C sbm2 52 . HN parsed_1b4c 1 399 . . . . . . . . . . . . . . . . 1.7500 1.5500 1.9500 . . sbm2 52 . C sbm2 53 . HN parsed_1b4c 1 400 . . . . . . . . . . . . . . . . 3.6700 3.4700 3.8700 . . sbm2 55 . C sbm2 56 . HN parsed_1b4c 1 401 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm2 57 . C sbm2 58 . HN parsed_1b4c 1 402 . . . . . . . . . . . . . . . . 3.1800 2.9800 3.3800 . . sbm2 59 . C sbm2 60 . HN parsed_1b4c 1 403 . . . . . . . . . . . . . . . . -2.6100 -2.8100 -2.4100 . . sbm2 60 . C sbm2 61 . HN parsed_1b4c 1 404 . . . . . . . . . . . . . . . . -0.4800 -0.6800 -0.2800 . . sbm2 63 . C sbm2 64 . HN parsed_1b4c 1 405 . . . . . . . . . . . . . . . . 4.35000 4.15000 4.55000 . . sbm2 67 . C sbm2 68 . HN parsed_1b4c 1 406 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm2 69 . C sbm2 70 . HN parsed_1b4c 1 407 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 72 . C sbm2 73 . HN parsed_1b4c 1 408 . . . . . . . . . . . . . . . . -1.8500 -2.0500 -1.6500 . . sbm2 73 . C sbm2 74 . HN parsed_1b4c 1 409 . . . . . . . . . . . . . . . . 1.6500 1.4500 1.8500 . . sbm2 74 . C sbm2 75 . HN parsed_1b4c 1 410 . . . . . . . . . . . . . . . . -3.8100 -4.0100 -3.6100 . . sbm1 8 . C sbm1 9 . HN parsed_1b4c 1 411 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm1 9 . C sbm1 10 . HN parsed_1b4c 1 412 . . . . . . . . . . . . . . . . -2.8800 -3.0800 -2.6800 . . sbm1 29 . C sbm1 30 . HN parsed_1b4c 1 413 . . . . . . . . . . . . . . . . 4.4000 4.2000 4.6000 . . sbm1 35 . C sbm1 36 . HN parsed_1b4c 1 414 . . . . . . . . . . . . . . . . -2.3600 -2.5600 -2.1600 . . sbm1 76 . C sbm1 77 . HN parsed_1b4c 1 415 . . . . . . . . . . . . . . . . -3.8100 -4.0100 -3.6100 . . sbm2 8 . C sbm2 9 . HN parsed_1b4c 1 416 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm2 9 . C sbm2 10 . HN parsed_1b4c 1 417 . . . . . . . . . . . . . . . . -2.8800 -3.0800 -2.6800 . . sbm2 29 . C sbm2 30 . HN parsed_1b4c 1 418 . . . . . . . . . . . . . . . . 4.4000 4.2000 4.6000 . . sbm2 35 . C sbm2 36 . HN parsed_1b4c 1 419 . . . . . . . . . . . . . . . . -2.3600 -2.5600 -2.1600 . . sbm2 76 . C sbm2 77 . HN parsed_1b4c 1 420 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm1 3 . C sbm1 4 . N parsed_1b4c 1 421 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm1 4 . C sbm1 5 . N parsed_1b4c 1 422 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm1 8 . C sbm1 9 . N parsed_1b4c 1 423 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm1 9 . C sbm1 10 . N parsed_1b4c 1 424 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 12 . C sbm1 13 . N parsed_1b4c 1 425 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm1 13 . C sbm1 14 . N parsed_1b4c 1 426 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm1 27 . C sbm1 28 . N parsed_1b4c 1 427 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm1 29 . C sbm1 30 . N parsed_1b4c 1 428 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm1 32 . C sbm1 33 . N parsed_1b4c 1 429 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm1 35 . C sbm1 36 . N parsed_1b4c 1 430 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm1 41 . C sbm1 42 . N parsed_1b4c 1 431 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm1 76 . C sbm1 77 . N parsed_1b4c 1 432 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm1 78 . C sbm1 79 . N parsed_1b4c 1 433 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm1 79 . C sbm1 80 . N parsed_1b4c 1 434 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm2 3 . C sbm2 4 . N parsed_1b4c 1 435 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm2 4 . C sbm2 5 . N parsed_1b4c 1 436 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm2 8 . C sbm2 9 . N parsed_1b4c 1 437 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm2 9 . C sbm2 10 . N parsed_1b4c 1 438 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 12 . C sbm2 13 . N parsed_1b4c 1 439 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm2 13 . C sbm2 14 . N parsed_1b4c 1 440 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm2 27 . C sbm2 28 . N parsed_1b4c 1 441 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm2 29 . C sbm2 30 . N parsed_1b4c 1 442 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm2 32 . C sbm2 33 . N parsed_1b4c 1 443 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm2 35 . C sbm2 36 . N parsed_1b4c 1 444 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm2 41 . C sbm2 42 . N parsed_1b4c 1 445 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm2 76 . C sbm2 77 . N parsed_1b4c 1 446 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm2 78 . C sbm2 79 . N parsed_1b4c 1 447 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm2 79 . C sbm2 80 . N parsed_1b4c 1 448 . . . . . . . . . . . . . . . . -1.3800 -1.5800 -1.1800 . . sbm1 1 . C sbm1 2 . N parsed_1b4c 1 449 . . . . . . . . . . . . . . . . 1.0400 0.8400 1.2400 . . sbm1 16 . C sbm1 17 . N parsed_1b4c 1 450 . . . . . . . . . . . . . . . . 1.4700 1.2700 1.6700 . . sbm1 18 . C sbm1 19 . N parsed_1b4c 1 451 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm1 21 . C sbm1 22 . N parsed_1b4c 1 452 . . . . . . . . . . . . . . . . -0.7500 -0.9500 -0.5500 . . sbm1 25 . C sbm1 26 . N parsed_1b4c 1 453 . . . . . . . . . . . . . . . . 0.800 0.600 1.000 . . sbm1 28 . C sbm1 29 . N parsed_1b4c 1 454 . . . . . . . . . . . . . . . . -0.7100 -0.9100 -0.5100 . . sbm1 30 . C sbm1 31 . N parsed_1b4c 1 455 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm1 33 . C sbm1 34 . N parsed_1b4c 1 456 . . . . . . . . . . . . . . . . -0.5900 -0.7900 -0.3900 . . sbm1 34 . C sbm1 35 . N parsed_1b4c 1 457 . . . . . . . . . . . . . . . . 0.3900 0.1900 0.5900 . . sbm1 51 . C sbm1 52 . N parsed_1b4c 1 458 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm1 52 . C sbm1 53 . N parsed_1b4c 1 459 . . . . . . . . . . . . . . . . 1.3600 1.1600 1.5600 . . sbm1 55 . C sbm1 56 . N parsed_1b4c 1 460 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 56 . C sbm1 57 . N parsed_1b4c 1 461 . . . . . . . . . . . . . . . . 0.4100 0.2100 0.6100 . . sbm1 57 . C sbm1 58 . N parsed_1b4c 1 462 . . . . . . . . . . . . . . . . 2.1300 1.9300 2.3300 . . sbm1 59 . C sbm1 60 . N parsed_1b4c 1 463 . . . . . . . . . . . . . . . . -0.7300 -0.9300 -0.5300 . . sbm1 60 . C sbm1 61 . N parsed_1b4c 1 464 . . . . . . . . . . . . . . . . -0.2900 -0.4900 -0.0900 . . sbm1 63 . C sbm1 64 . N parsed_1b4c 1 465 . . . . . . . . . . . . . . . . 0.5000 0.3000 0.7000 . . sbm1 67 . C sbm1 68 . N parsed_1b4c 1 466 . . . . . . . . . . . . . . . . 0.3500 0.1500 0.5500 . . sbm1 69 . C sbm1 70 . N parsed_1b4c 1 467 . . . . . . . . . . . . . . . . 0.71000 0.51000 0.91000 . . sbm1 72 . C sbm1 73 . N parsed_1b4c 1 468 . . . . . . . . . . . . . . . . -0.9500 -1.1500 -0.7500 . . sbm1 73 . C sbm1 74 . N parsed_1b4c 1 469 . . . . . . . . . . . . . . . . 2.2200 2.0200 2.4200 . . sbm1 74 . C sbm1 75 . N parsed_1b4c 1 470 . . . . . . . . . . . . . . . . 0.2800 0.0800 0.4800 . . sbm1 88 . C sbm1 89 . N parsed_1b4c 1 471 . . . . . . . . . . . . . . . . -1.3800 -1.5800 -1.1800 . . sbm2 1 . C sbm2 2 . N parsed_1b4c 1 472 . . . . . . . . . . . . . . . . 1.0400 0.8400 1.2400 . . sbm2 16 . C sbm2 17 . N parsed_1b4c 1 473 . . . . . . . . . . . . . . . . 1.4700 1.2700 1.6700 . . sbm2 18 . C sbm2 19 . N parsed_1b4c 1 474 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm2 21 . C sbm2 22 . N parsed_1b4c 1 475 . . . . . . . . . . . . . . . . -0.7500 -0.9500 -0.5500 . . sbm2 25 . C sbm2 26 . N parsed_1b4c 1 476 . . . . . . . . . . . . . . . . 0.800 0.600 1.000 . . sbm2 28 . C sbm2 29 . N parsed_1b4c 1 477 . . . . . . . . . . . . . . . . -0.7100 -0.9100 -0.5100 . . sbm2 30 . C sbm2 31 . N parsed_1b4c 1 478 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm2 33 . C sbm2 34 . N parsed_1b4c 1 479 . . . . . . . . . . . . . . . . -0.5900 -0.7900 -0.3900 . . sbm2 34 . C sbm2 35 . N parsed_1b4c 1 480 . . . . . . . . . . . . . . . . 0.3900 0.1900 0.5900 . . sbm2 51 . C sbm2 52 . N parsed_1b4c 1 481 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm2 52 . C sbm2 53 . N parsed_1b4c 1 482 . . . . . . . . . . . . . . . . 1.3600 1.1600 1.5600 . . sbm2 55 . C sbm2 56 . N parsed_1b4c 1 483 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 56 . C sbm2 57 . N parsed_1b4c 1 484 . . . . . . . . . . . . . . . . 0.4100 0.2100 0.6100 . . sbm2 57 . C sbm2 58 . N parsed_1b4c 1 485 . . . . . . . . . . . . . . . . 2.1300 1.9300 2.3300 . . sbm2 59 . C sbm2 60 . N parsed_1b4c 1 486 . . . . . . . . . . . . . . . . -0.7300 -0.9300 -0.5300 . . sbm2 60 . C sbm2 61 . N parsed_1b4c 1 487 . . . . . . . . . . . . . . . . -0.2900 -0.4900 -0.0900 . . sbm2 63 . C sbm2 64 . N parsed_1b4c 1 488 . . . . . . . . . . . . . . . . 0.5000 0.3000 0.7000 . . sbm2 67 . C sbm2 68 . N parsed_1b4c 1 489 . . . . . . . . . . . . . . . . 0.3500 0.1500 0.5500 . . sbm2 69 . C sbm2 70 . N parsed_1b4c 1 490 . . . . . . . . . . . . . . . . 0.71000 0.51000 0.91000 . . sbm2 72 . C sbm2 73 . N parsed_1b4c 1 491 . . . . . . . . . . . . . . . . -0.9500 -1.1500 -0.7500 . . sbm2 73 . C sbm2 74 . N parsed_1b4c 1 492 . . . . . . . . . . . . . . . . 2.2200 2.0200 2.4200 . . sbm2 74 . C sbm2 75 . N parsed_1b4c 1 493 . . . . . . . . . . . . . . . . 0.2800 0.0800 0.4800 . . sbm2 88 . C sbm2 89 . N parsed_1b4c 1 494 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm1 3 . C sbm1 4 . N parsed_1b4c 1 495 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm1 4 . C sbm1 5 . N parsed_1b4c 1 496 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm1 8 . C sbm1 9 . N parsed_1b4c 1 497 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm1 9 . C sbm1 10 . N parsed_1b4c 1 498 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 12 . C sbm1 13 . N parsed_1b4c 1 499 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm1 13 . C sbm1 14 . N parsed_1b4c 1 500 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm1 27 . C sbm1 28 . N parsed_1b4c 1 501 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm1 29 . C sbm1 30 . N parsed_1b4c 1 502 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm1 32 . C sbm1 33 . N parsed_1b4c 1 503 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm1 35 . C sbm1 36 . N parsed_1b4c 1 504 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm1 41 . C sbm1 42 . N parsed_1b4c 1 505 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm1 76 . C sbm1 77 . N parsed_1b4c 1 506 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm1 78 . C sbm1 79 . N parsed_1b4c 1 507 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm1 79 . C sbm1 80 . N parsed_1b4c 1 508 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm2 3 . C sbm2 4 . N parsed_1b4c 1 509 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm2 4 . C sbm2 5 . N parsed_1b4c 1 510 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm2 8 . C sbm2 9 . N parsed_1b4c 1 511 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm2 9 . C sbm2 10 . N parsed_1b4c 1 512 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 12 . C sbm2 13 . N parsed_1b4c 1 513 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm2 13 . C sbm2 14 . N parsed_1b4c 1 514 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm2 27 . C sbm2 28 . N parsed_1b4c 1 515 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm2 29 . C sbm2 30 . N parsed_1b4c 1 516 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm2 32 . C sbm2 33 . N parsed_1b4c 1 517 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm2 35 . C sbm2 36 . N parsed_1b4c 1 518 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm2 41 . C sbm2 42 . N parsed_1b4c 1 519 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm2 76 . C sbm2 77 . N parsed_1b4c 1 520 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm2 78 . C sbm2 79 . N parsed_1b4c 1 521 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm2 79 . C sbm2 80 . N parsed_1b4c 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 ; Dipolar Coupling Constraints assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 2 and name N ) ( segid="sbm1" and resid 2 and name HN ) -54.165 45.835 was -8.33 0 ; 1 1 9 13 parsed_1b4c 1 2 "was 1.85" 24 1 24 11 parsed_1b4c 1 3 "was -6.77 0" 32 1 32 14 parsed_1b4c 1 4 "was 5.11 0.0" 40 1 40 14 parsed_1b4c 1 5 "was 9.11 0.0" 48 1 48 14 parsed_1b4c 1 6 "was 11.55 0" 56 1 56 13 parsed_1b4c 1 7 "was -11.32 0" 134 1 134 14 parsed_1b4c 1 8 "was -2.77 0, but it was out" 142 1 142 29 parsed_1b4c 1 9 "was -9.800 0, but it was out" 150 1 150 30 parsed_1b4c 1 10 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 89 and name N ) ( segid="sbm1" and resid 89 and name HN ) 52.0000 48.0000 was 4.0000 0 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 91 and name N ) ( segid="sbm1" and resid 91 and name HN ) 50.4000 49.6000 was 0.8 0 second subunit assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 2 and name N ) ( segid="sbm2" and resid 2 and name HN ) -54.1650 45.8350 ; 201 1 224 71 parsed_1b4c 1 11 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 89 and name N ) ( segid="sbm2" and resid 89 and name HN ) 52.0000 48.0000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 91 and name N ) ( segid="sbm2" and resid 91 and name HN ) 50.4000 49.6000 Residues transferred over from table 2 ; 408 1 422 40 parsed_1b4c 1 12 ; residues 4,5,6,9,12,26,69 were moved to #1 category on 6/9/98 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 1 and name N ) ( segid="sbm1" and resid 1 and name HN ) 8.2000 0.2 0.2 ; 523 1 530 71 parsed_1b4c 1 13 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 4 and name N ) ( segid="sbm1" and resid 4 and name HN ) -1.8400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 5 and name N ) ( segid="sbm1" and resid 5 and name HN ) -6.5500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 6 and name N ) ( segid="sbm1" and resid 6 and name HN ) -8.9000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 9 and name N ) ( segid="sbm1" and resid 9 and name HN ) -9.6900 0.2 0.2 ; 539 1 565 72 parsed_1b4c 1 14 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 12 and name N ) ( segid="sbm1" and resid 12 and name HN ) -5.6000 0.2 0.2 ; 574 1 579 72 parsed_1b4c 1 15 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 14 and name N ) ( segid="sbm1" and resid 14 and name HN ) -6.4000 0.2 0.2 back in 980211, poor peak shape/very weak in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 15 and name N ) ( segid="sbm1" and resid 15 and name HN ) -3.8200 0.2 0.2 back in 980211, very poor peak shape and weak in LC back out 980227 - vios ; 588 1 603 24 parsed_1b4c 1 16 ; back in 980205, out again 980206 b/c RAMA vio assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 25 and name N ) ( segid="sbm1" and resid 25 and name HN ) 1.700 0.2 0.2 back in 980205 ; 611 1 619 16 parsed_1b4c 1 17 "overlap with 11/13 could be a real problem here" 641 1 641 49 parsed_1b4c 1 18 ; back in 980205 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 40 and name N ) ( segid="sbm1" and resid 40 and name HN ) -0.9000 0.2 0.2 back in 980205, out 980312 ; 649 1 657 28 parsed_1b4c 1 19 "back in 980205" 672 1 672 16 parsed_1b4c 1 20 ; back in 980205 back out 980227 - vios ; 680 1 681 24 parsed_1b4c 1 21 "back in 980211, poor pk shape/weak in LC" 689 1 689 42 parsed_1b4c 1 22 "back in 980205, out 980311 b/c vios" 704 1 704 37 parsed_1b4c 1 23 ; ovlps A9 in LC, causes RAMA vios, no b/c RAMA vios w/o it out 980227 - vios ; 712 1 713 20 parsed_1b4c 1 24 "back in 980205, out 980311 - talos vios" 728 1 728 41 parsed_1b4c 1 25 "back in 980211" 736 1 736 16 parsed_1b4c 1 26 "back in 980205, out 980311 - vios" 744 1 744 35 parsed_1b4c 1 27 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 71 and name N ) ( segid="sbm2" and resid 71 and name HN ) -6.3400 0.2 0.2 back in 980211, ovlps 76 in LC out 980227 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 76 and name N ) ( segid="sbm1" and resid 76 and name HN ) -8.0000 0.2 0.2 overlap in LC data ; 753 1 768 20 parsed_1b4c 1 28 "poor peak shape in both LC & iso, out 980312" 776 1 776 46 parsed_1b4c 1 29 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 88 and name N ) ( segid="sbm1" and resid 88 and name HN ) -3.2000 0.2 0.2 wk peaks in LC, remove 980313 vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 90 and name N ) ( segid="sbm1" and resid 90 and name HN ) 51.0500 48.9500 second subunit assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 1 and name N ) ( segid="sbm2" and resid 1 and name HN ) 54.1000 45.9000 ; 785 1 809 70 parsed_1b4c 1 30 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 4 and name N ) ( segid="sbm2" and resid 4 and name HN ) -1.8400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 5 and name N ) ( segid="sbm2" and resid 5 and name HN ) -6.5500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 6 and name N ) ( segid="sbm2" and resid 6 and name HN ) -8.9000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 9 and name N ) ( segid="sbm2" and resid 9 and name HN ) -9.6900 0.2 0.2 ; 818 1 844 72 parsed_1b4c 1 31 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 12 and name N ) ( segid="sbm2" and resid 12 and name HN ) -5.6000 0.2 0.2 ; 853 1 858 72 parsed_1b4c 1 32 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 14 and name N ) ( segid="sbm2" and resid 14 and name HN ) -6.4000 0.2 0.2 back in 980211, poor peak shape/very weak in LC, out 980312 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 15 and name N ) ( segid="sbm2" and resid 15 and name HN ) -3.8200 0.2 0.2 back in 980211, very poor peak shape and weak in LC back out 980227 - vios ; 867 1 882 24 parsed_1b4c 1 33 ; back in 980205, out again 980206 b/c RAMA vio assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 25 and name N ) ( segid="sbm2" and resid 25 and name HN ) 1.70 0.2 0.2 back in 980205 ; 890 1 898 16 parsed_1b4c 1 34 ; back in 980205 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 40 and name N ) ( segid="sbm2" and resid 40 and name HN ) -0.9000 0.2 0.2 back in 980205, out 980312 ; 927 1 935 28 parsed_1b4c 1 35 "back in 980205" 950 1 950 16 parsed_1b4c 1 36 ; back in 980205 back out 980227 - vios ; 958 1 959 24 parsed_1b4c 1 37 "back in 980211, poor pk shape/weak in LC" 967 1 967 42 parsed_1b4c 1 38 "overlap with K24 for this peak DJW removed" 975 1 977 2 parsed_1b4c 1 39 "back in 980205, out 980311 - vios" 984 1 984 35 parsed_1b4c 1 40 ; ovlps A9 in LC, causes RAMA vios, no b/c RAMA vios w/o it out 980227 - vios ; 992 1 993 20 parsed_1b4c 1 41 "back in 980205, out 980312" 1008 1 1008 28 parsed_1b4c 1 42 "back in 980211" 1016 1 1016 16 parsed_1b4c 1 43 "back in 980205, out 980311 - vios" 1024 1 1024 35 parsed_1b4c 1 44 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 71 and name N ) ( segid="sbm2" and resid 71 and name HN ) -6.3400 0.2 0.2 back in 980211, ovlps 76 in LC out 980227 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 76 and name N ) ( segid="sbm2" and resid 76 and name HN ) -8.0000 0.2 0.2 ; 1033 1 1047 72 parsed_1b4c 1 45 "poor peak shape in both LC & iso, out 980312" 1055 1 1055 46 parsed_1b4c 1 46 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 88 and name N ) ( segid="sbm2" and resid 88 and name HN ) -3.2000 0.2 0.2 out 980313, wk pk in lc, vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 90 and name N ) ( segid="sbm2" and resid 90 and name HN ) 51.0500 48.9500 This is a test file assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 1 and name CA ) ( segid="sbm1" and resid 1 and name HA ) 57.6900 42.3100 ; 1064 1 1086 71 parsed_1b4c 1 47 GLY 1116 1 1116 5 parsed_1b4c 1 48 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 24 and name CA ) ( segid="sbm1" and resid 24 and name HA ) -5.62 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 25 and name CA ) ( segid="sbm1" and resid 25 and name HA ) 15.63 0.2 0.2 residues 22-25 out since this region is flexible based on Keith's data (DJW removed) ; 1146 1 1160 86 parsed_1b4c 1 49 "use ave of PIPP and nmrD values - was 24.68" 1203 1 1203 45 parsed_1b4c 1 50 "used ave of nmrD and PIPP - PIPP = 31.95" 1225 1 1225 42 parsed_1b4c 1 51 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 50 and name CA ) ( segid="sbm1" and resid 50 and name HA ) 5.50 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 51 and name CA ) ( segid="sbm1" and resid 51 and name HA ) -13.27 0.2 0.2 ; 1255 1 1267 72 parsed_1b4c 1 52 "checked it 980125 - OK" 1317 1 1317 24 parsed_1b4c 1 53 ; checked it 980125 - OK GLY ; 1346 1 1348 5 parsed_1b4c 1 54 GLY 1363 1 1363 5 parsed_1b4c 1 55 "checked it 980125 - OK" 1398 1 1398 24 parsed_1b4c 1 56 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 89 and name CA ) ( segid="sbm1" and resid 89 and name HA ) 0.7800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 90 and name CA ) ( segid="sbm1" and resid 90 and name HA ) 53.8100 46.1900 SECOND SUBUNIT assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 1 and name CA ) ( segid="sbm2" and resid 1 and name HA ) 57.6900 42.3100 ; 1435 1 1457 70 parsed_1b4c 1 57 GLY 1487 1 1487 5 parsed_1b4c 1 58 GLY 1509 1 1509 5 parsed_1b4c 1 59 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 24 and name CA ) ( segid="sbm2" and resid 24 and name HA ) -5.6200 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 25 and name CA ) ( segid="sbm2" and resid 25 and name HA ) 15.6300 0.2 0.2 ; 1517 1 1529 72 parsed_1b4c 1 60 "use ave of PIPP and nmrD values - was 24.68" 1572 1 1572 45 parsed_1b4c 1 61 "used ave of nmrD and PIPP - PIPP = 31.95" 1594 1 1594 42 parsed_1b4c 1 62 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 50 and name CA ) ( segid="sbm2" and resid 50 and name HA ) 5.5000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 51 and name CA ) ( segid="sbm2" and resid 51 and name HA ) -13.2700 0.2 0.2 ; 1624 1 1636 73 parsed_1b4c 1 63 "checked it 980125 - OK" 1686 1 1686 24 parsed_1b4c 1 64 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 63 and name CA ) ( segid="sbm2" and resid 63 and name HA ) 4.6500 0.2 0.2 checked it 980125 - OK GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 64 and name CA ) ( segid="sbm2" and resid 64 and name HA# ) -6.5400 0.2 0.2 In flexible region w/o Ca (DJW removed) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 65 and name CA ) ( segid="sbm2" and resid 65 and name HA ) 30.9400 0.2 0.2 GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 66 and name CA ) ( segid="sbm2" and resid 66 and name HA# ) -12.0900 0.2 0.2 ; 1709 1 1740 2 parsed_1b4c 1 65 "checked it 980125 - OK" 1768 1 1768 24 parsed_1b4c 1 66 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 88 and name CA ) ( segid="sbm2" and resid 88 and name HA ) -50.7350 49.2650 ! -1.4700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 89 and name CA ) ( segid="sbm2" and resid 89 and name HA ) 0.7800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 90 and name CA ) ( segid="sbm2" and resid 90 and name HA ) 53.8100 46.1900 ! 7.6200 0.2 0.2 residues from the 2nd tier that are now 1st tier (6/9/98) ; 1798 1 1819 59 parsed_1b4c 1 67 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 0 and name CA ) ( segid="sbm1" and resid 0 and name HA ) 55.8600 44.1400 !11.7200 0.2 0.2 S1a gives 13.24, S1b gives 10.20, ave = 11.72 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 2 and name CA ) ( segid="sbm1" and resid 2 and name HA ) 52.6600 47.3400 !7.5600 0.2 0.2 ave of 3a=5.32 and 3b=9.8 I took the lower one for the limit setting (5.32) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 3 and name CA ) ( segid="sbm1" and resid 3 and name HA ) -55.9700 44.0300 !-11.94 0.2 0.2 pks for 4b too wk in LC - use 4a only - changed from 15.0 acd out 980227 - vios ; 1877 1 1900 19 parsed_1b4c 1 68 ; viol/amb - 3 sets pks give different values out 980227 - vios ; 1908 1 1909 19 parsed_1b4c 1 69 "slight ovlp w/ 38HN (37CaHa)" 1924 1 1924 30 parsed_1b4c 1 70 "very weak peak, should probably remove later" 1940 1 1940 46 parsed_1b4c 1 71 "AMB - upfield pk in LC ovlped - out 980227" 1948 1 1948 44 parsed_1b4c 1 72 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 30 and name CA ) ( segid="sbm1" and resid 30 and name HA ) -26.0000 0.2 0.2 peak wk and poor shape proton shift off by 6 Hz when top and bottom pk compared ; 1964 1 1970 81 parsed_1b4c 1 73 ; slight ovlp with 7HN (6CaHa) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 39 and name CA ) ( segid="sbm1" and resid 39 and name HA ) 68.6650 31.3350 !37.3300 0.2 0.2 remove b/c larege vios, back in 980211, back out 980227 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 40 and name CA ) ( segid="sbm1" and resid 40 and name HA ) 7.8000 0.2 0.2 amb assignment for 3 multiples of S41 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 41 and name CA ) ( segid="sbm1" and resid 41 and name HA ) 22.1500 0.2 0.2 moved to 1st tier assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 44 and name CA ) ( segid="sbm1" and resid 44 and name HA ) 58.0800 41.9200 !16.1600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 45 and name CA ) ( segid="sbm1" and resid 45 and name HA ) -51.975 48.025 !-3.9500 0.2 0.2 ; 1978 1 2016 97 parsed_1b4c 1 74 ; wk peak in LC - out 031198 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 68 and name CA ) ( segid="sbm1" and resid 68 and name HA ) 22.5300 0.2 0.2 very wk & poor pk shape in LC; but still ok and moved to 1st tier assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 69 and name CA ) ( segid="sbm1" and resid 69 and name HA ) -52.1400 47.8600 !-4.2800 0.2 0.2 wk and poor pk shape in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 76 and name CA ) ( segid="sbm1" and resid 76 and name HA ) -0.0100 0.2 0.2 wk and poor pk shape in LC; also 8Hz diff in proton peaks here assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 77 and name CA ) ( segid="sbm1" and resid 77 and name HA ) -10.0300 0.2 0.2 vio - pks max at different planes and slightly ovlped in LC back in 980211, back out 980227 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 0 and name CA ) ( segid="sbm2" and resid 0 and name HA ) 55.8600 44.1400 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 2 and name CA ) ( segid="sbm2" and resid 2 and name HA ) 52.6600 47.3400 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 3 and name CA ) ( segid="sbm2" and resid 3 and name HA ) -55.9700 44.0300 ! -11.94 0.2 0.2 pks for 4b too wk in LC - use 4a only - changed from 15.0 acd out 980227 - vios ; 2024 1 2081 19 parsed_1b4c 1 75 ; viol/amb - 3 sets pks give different values out 980227 - vios ; 2089 1 2090 19 parsed_1b4c 1 76 "slight ovlp w/ 38HN (37CaHa)" 2105 1 2105 30 parsed_1b4c 1 77 "AMB - upfield pk in LC ovlped - out 980227" 2113 1 2113 44 parsed_1b4c 1 78 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 30 and name CA ) ( segid="sbm2" and resid 30 and name HA ) -26.0000 0.2 0.2 peak wk and poor shape ; 2129 1 2135 24 parsed_1b4c 1 79 ; slight ovlp with 7HN (6CaHa) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 39 and name CA ) ( segid="sbm2" and resid 39 and name HA ) 68.6650 31.3350 !37.3300 0.2 0.2 remove b/c larege vios, back in 980211, back out 980227 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 40 and name CA ) ( segid="sbm2" and resid 40 and name HA ) 7.8000 0.2 0.2 amb assignment for 3 multiples of S41 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 41 and name CA ) ( segid="sbm2" and resid 41 and name HA ) 22.1500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 44 and name CA ) ( segid="sbm2" and resid 44 and name HA ) 58.0800 41.9200 !16.1600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 45 and name CA ) ( segid="sbm2" and resid 45 and name HA ) -51.9750 48.0250 !-3.9500 0.2 0.2 ; 2143 1 2180 97 parsed_1b4c 1 80 ; wk peak in LC - out 031198 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 68 and name CA ) ( segid="sbm2" and resid 68 and name HA ) 22.5300 0.2 0.2 very wk & poor pk shape in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 69 and name CA ) ( segid="sbm2" and resid 69 and name HA ) -52.1400 47.8600 !-4.2800 0.2 0.2 wk and poor pk shape in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 76 and name CA ) ( segid="sbm2" and resid 76 and name HA ) -0.0100 0.2 0.2 wk and poor pk shape in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 77 and name CA ) ( segid="sbm2" and resid 77 and name HA ) -10.0300 0.2 0.2 vio - pks max at different planes and slightly ovlped in LC back in 980211, back out 980227 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 78 and name CA ) ( segid="sbm2" and resid 78 and name HA ) 27.8200 0.2 0.2 ; 2188 1 2228 72 parsed_1b4c 1 81 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 8 and name CA ) ( segid="sbm1" and resid 8 and name HA ) 3.7800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 9 and name CA ) ( segid="sbm1" and resid 9 and name HA ) -2.5700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 14 and name CA ) ( segid="sbm1" and resid 14 and name HA ) -3.4300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 16 and name CA ) ( segid="sbm1" and resid 16 and name HA ) -8.6600 0.2 0.2 GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 19 and name CA ) ( segid="sbm1" and resid 19 and name HA# ) 28.4000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 20 and name CA ) ( segid="sbm1" and resid 20 and name HA ) 20.25 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 21 and name CA ) ( segid="sbm1" and resid 21 and name HA ) -14.87 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 22 and name CA ) ( segid="sbm1" and resid 22 and name HA# ) -1.16 0.2 0.2 ; 2238 1 2295 70 parsed_1b4c 1 82 ; residues 22-25 out since this region is flexible based on Keith's data (DJW removed) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 26 and name CA ) ( segid="sbm1" and resid 26 and name HA ) -17.1800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 27 and name CA ) ( segid="sbm1" and resid 27 and name HA ) -4.6000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 28 and name CA ) ( segid="sbm1" and resid 28 and name HA ) 26.9200 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 29 and name CA ) ( segid="sbm1" and resid 29 and name HA ) -4.05 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 31 and name CA ) ( segid="sbm1" and resid 31 and name HA ) 7.7200 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 32 and name CA ) ( segid="sbm1" and resid 32 and name HA ) 24.3800 0.2 0.2 !use ave of PIPP and nmrD values - was 24.68 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 33 and name CA ) ( segid="sbm1" and resid 33 and name HA ) -22.2900 0.2 0.2 iassign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 34 and name CA ) ( segid="sbm1" and resid 34 and name HA ) -15.7200 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 35 and name CA ) ( segid="sbm1" and resid 35 and name HA ) 31.2500 0.2 0.2 used ave of nmrD and PIPP - PIPP = 31.95 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 36 and name CA ) ( segid="sbm1" and resid 36 and name HA ) -0.9600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 38 and name CA ) ( segid="sbm1" and resid 38 and name HA ) -5.4300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 48 and name CA ) ( segid="sbm1" and resid 48 and name HA ) 2.61 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 49 and name CA ) ( segid="sbm1" and resid 49 and name HA ) -15.84 0.2 0.2 ; 2311 1 2404 73 parsed_1b4c 1 83 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 52 and name CA ) ( segid="sbm1" and resid 52 and name HA ) 29.5700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 53 and name CA ) ( segid="sbm1" and resid 53 and name HA ) -15.4800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 54 and name CA ) ( segid="sbm1" and resid 54 and name HA ) 2.6100 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 55 and name CA ) ( segid="sbm1" and resid 55 and name HA ) 11.5600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 56 and name CA ) ( segid="sbm1" and resid 56 and name HA ) 2.8300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 57 and name CA ) ( segid="sbm1" and resid 57 and name HA ) -9.2900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 58 and name CA ) ( segid="sbm1" and resid 58 and name HA ) -14.9300 0.2 0.2 checked it 980125 - OK assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 59 and name CA ) ( segid="sbm1" and resid 59 and name HA ) 31.5600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 60 and name CA ) ( segid="sbm1" and resid 60 and name HA ) -12.3400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 62 and name CA ) ( segid="sbm1" and resid 62 and name HA ) -56.71 0.2 50 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 63 and name CA ) ( segid="sbm1" and resid 63 and name HA ) 54.67 50 0.2 checked it 980125 - OK GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 64 and name CA ) ( segid="sbm1" and resid 64 and name HA# ) -56.54 0.2 50 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 65 and name CA ) ( segid="sbm1" and resid 65 and name HA ) 80.94 50 0.2 GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 66 and name CA ) ( segid="sbm1" and resid 66 and name HA# ) -62.09 0.2 50 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 70 and name CA ) ( segid="sbm1" and resid 70 and name HA ) 3.3700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 71 and name CA ) ( segid="sbm1" and resid 71 and name HA ) 7.6900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 72 and name CA ) ( segid="sbm1" and resid 72 and name HA ) -8.3500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 73 and name CA ) ( segid="sbm1" and resid 73 and name HA ) -10.5200 0.2 0.2 checked it 980125 - OK assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 74 and name CA ) ( segid="sbm1" and resid 74 and name HA ) 25.3300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 75 and name CA ) ( segid="sbm1" and resid 75 and name HA ) -18.5400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 79 and name CA ) ( segid="sbm1" and resid 79 and name HA ) -15.5900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 80 and name CA ) ( segid="sbm1" and resid 80 and name HA ) -0.54 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 88 and name CA ) ( segid="sbm1" and resid 88 and name HA ) -1.47 0.2 0.2 ; 2420 1 2585 2 parsed_1b4c 1 84 "SECOND SUBUNIT" 2601 1 2601 16 parsed_1b4c 1 85 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 8 and name CA ) ( segid="sbm2" and resid 8 and name HA ) 3.7800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 9 and name CA ) ( segid="sbm2" and resid 9 and name HA ) -2.5700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 14 and name CA ) ( segid="sbm2" and resid 14 and name HA ) -3.4300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 16 and name CA ) ( segid="sbm2" and resid 16 and name HA ) -8.6600 0.2 0.2 !GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 19 and name CA ) ( segid="sbm2" and resid 19 and name HA# ) 28.400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 20 and name CA ) ( segid="sbm2" and resid 20 and name HA ) 20.2500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 21 and name CA ) ( segid="sbm2" and resid 21 and name HA ) -14.8700 0.2 0.2 !GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 22 and name CA ) ( segid="sbm2" and resid 22 and name HA# ) -1.1600 0.2 0.2 ; 2610 1 2667 2 parsed_1b4c 1 86 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 26 and name CA ) ( segid="sbm2" and resid 26 and name HA ) -17.1800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 27 and name CA ) ( segid="sbm2" and resid 27 and name HA ) -4.6000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 28 and name CA ) ( segid="sbm2" and resid 28 and name HA ) 26.9200 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 29 and name CA ) ( segid="sbm2" and resid 29 and name HA ) -4.0500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 31 and name CA ) ( segid="sbm2" and resid 31 and name HA ) 7.7200 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 32 and name CA ) ( segid="sbm2" and resid 32 and name HA ) 24.3800 0.2 0.2 !use ave of PIPP and nmrD values - was 24.68 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 33 and name CA ) ( segid="sbm2" and resid 33 and name HA ) -22.2900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 34 and name CA ) ( segid="sbm2" and resid 34 and name HA ) -15.7200 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 35 and name CA ) ( segid="sbm2" and resid 35 and name HA ) 31.2500 0.2 0.2 !used ave of nmrD and PIPP - PIPP = 31.95 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 36 and name CA ) ( segid="sbm2" and resid 36 and name HA ) -0.9600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 38 and name CA ) ( segid="sbm2" and resid 38 and name HA ) -5.4300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 48 and name CA ) ( segid="sbm2" and resid 48 and name HA ) 2.6100 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 49 and name CA ) ( segid="sbm2" and resid 49 and name HA ) -15.8400 0.2 0.2 ; 2682 1 2774 2 parsed_1b4c 1 87 ; assign ( resid 500 and name OO ) ! ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 52 and name CA ) ( segid="sbm2" and resid 52 and name HA ) 29.5700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 53 and name CA ) ( segid="sbm2" and resid 53 and name HA ) -15.4800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 54 and name CA ) ( segid="sbm2" and resid 54 and name HA ) 2.6100 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 55 and name CA ) ( segid="sbm2" and resid 55 and name HA ) 11.5600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 56 and name CA ) ( segid="sbm2" and resid 56 and name HA ) 2.8300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 57 and name CA ) ( segid="sbm2" and resid 57 and name HA ) -9.2900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 58 and name CA ) ( segid="sbm2" and resid 58 and name HA ) -14.9300 0.2 0.2 !checked it 980125 - OK assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 59 and name CA ) ( segid="sbm2" and resid 59 and name HA ) 31.5600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 60 and name CA ) ( segid="sbm2" and resid 60 and name HA ) -12.3400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 62 and name CA ) ( segid="sbm2" and resid 62 and name HA ) -56.7100 0.2 50 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 63 and name CA ) ( segid="sbm2" and resid 63 and name HA ) 54.6500 50 0.2 checked it 980125 - OK GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 64 and name CA ) ( segid="sbm2" and resid 64 and name HA# ) -56.5400 0.2 50 In flexible region w/o Ca (DJW removed) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 65 and name CA ) ( segid="sbm2" and resid 65 and name HA ) 80.9400 50 0.2 !GLY assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 66 and name CA ) ( segid="sbm2" and resid 66 and name HA# ) -62.0900 0.2 50 ! !assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 70 and name CA ) ( segid="sbm2" and resid 70 and name HA ) 3.3700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 71 and name CA ) ( segid="sbm2" and resid 71 and name HA ) 7.6900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 72 and name CA ) ( segid="sbm2" and resid 72 and name HA ) -8.3500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 73 and name CA ) ( segid="sbm2" and resid 73 and name HA ) -10.5200 0.2 0.2 checked it 980125 - OK assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 74 and name CA ) ( segid="sbm2" and resid 74 and name HA ) 25.3300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 75 and name CA ) ( segid="sbm2" and resid 75 and name HA ) -18.5400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 79 and name CA ) ( segid="sbm2" and resid 79 and name HA ) -15.5900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 80 and name CA ) ( segid="sbm2" and resid 80 and name HA ) -0.5400 0.2 0.2 ; 2789 1 2948 2 parsed_1b4c 1 88 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 89 and name CA ) ( segid="sbm2" and resid 89 and name HA ) 50.78 ; 2956 1 2961 60 parsed_1b4c 1 89 ; residues from the 2nd tier that are now 1st tier (6/9/98) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 30 and name CA ) ( segid="sbm1" and resid 30 and name HA ) -26.0000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 41 and name CA ) ( segid="sbm1" and resid 41 and name HA ) 22.1500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 68 and name CA ) ( segid="sbm1" and resid 68 and name HA ) 22.5300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 76 and name CA ) ( segid="sbm1" and resid 76 and name HA ) -0.0100 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 30 and name CA ) ( segid="sbm2" and resid 30 and name HA ) -26.0000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 41 and name CA ) ( segid="sbm2" and resid 41 and name HA ) 22.1500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 68 and name CA ) ( segid="sbm2" and resid 68 and name HA ) 22.5300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 76 and name CA ) ( segid="sbm2" and resid 76 and name HA ) -0.0100 0.2 0.2 ; 2970 1 3027 2 parsed_1b4c 1 90 "checked 980125 - looks OK" 3082 1 3082 27 parsed_1b4c 1 91 "overlap with 37 in hnco is somewhat problematic" 3097 1 3097 50 parsed_1b4c 1 92 "checked 980125 - looks OK" 3124 1 3124 27 parsed_1b4c 1 93 "overlap in LC to some degree for 31 in hnco" 3217 1 3217 45 parsed_1b4c 1 94 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 59 and name C ) ( segid="sbm1" and resid 59 and name CA ) -1.2300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 59 and name C ) ( segid="sbm2" and resid 59 and name CA ) -1.2300 0.2 0.2 iso splitting quite low (51.2), out 980311 - vios ; 3427 1 3439 52 parsed_1b4c 1 95 "low iso value (51.1) makes it suspect, 66psi/67phi vios" 3506 1 3506 58 parsed_1b4c 1 96 "from 2nd tier" 3638 1 3638 15 parsed_1b4c 1 97 "out 980311 - vios,multiples" 3717 1 3717 30 parsed_1b4c 1 98 "some ovlp of pks in iso" 3731 1 3731 25 parsed_1b4c 1 99 "DJW removed" 3745 1 3745 13 parsed_1b4c 1 100 ; only 4a seen, 4b missing assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 4 and name C ) ( segid="sbm1" and resid 4 and name CA ) -0.0700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 4 and name C ) ( segid="sbm2" and resid 4 and name CA ) -0.0700 0.2 0.2 ; 3759 1 3772 72 parsed_1b4c 1 101 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 8 and name C ) ( segid="sbm1" and resid 8 and name CA ) -1.9100 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 8 and name C ) ( segid="sbm2" and resid 8 and name CA ) -1.9100 0.2 0.2 poor peak shape in LC and iso - vios, back in 980211, out 980227 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 9 and name C ) ( segid="sbm1" and resid 9 and name CA ) 2.8100 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 9 and name C ) ( segid="sbm2" and resid 9 and name CA ) 2.8100 0.2 0.2 ; 3800 1 3825 70 parsed_1b4c 1 102 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 13 and name C ) ( segid="sbm1" and resid 13 and name CA ) 1.7600 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 13 and name C ) ( segid="sbm2" and resid 13 and name CA ) 1.7600 0.2 0.2 ; 3840 1 3851 71 parsed_1b4c 1 103 "poor peak shape both LC & iso, back in 980211, out 980227 - vios" 3866 1 3866 66 parsed_1b4c 1 104 ; peaks ovlped in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 39 and name C ) ( segid="sbm1" and resid 39 and name CA ) -2.2400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 39 and name C ) ( segid="sbm2" and resid 39 and name CA ) -2.2400 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 40 and name C ) ( segid="sbm1" and resid 40 and name CA ) -1.2700 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 40 and name C ) ( segid="sbm2" and resid 40 and name CA ) -1.2700 0.2 0.2 ; 3880 1 3906 72 parsed_1b4c 1 105 ; amb - only 1/3 pks for 44 in LC data and its a poor pk, back in 980212 out 980227 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 44 and name C ) ( segid="sbm1" and resid 44 and name CA ) -2.8800 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 44 and name C ) ( segid="sbm2" and resid 44 and name CA ) -2.8800 0.2 0.2 out 980311, poor peak shape both - multiples, vios ; 3933 1 3948 53 parsed_1b4c 1 106 ; value from 46e(LC)-46def(iso) amb assign ( resid 500 and name OO ) amb ( resid 500 and name Z ) amb ( resid 500 and name X ) amb ( resid 500 and name Y ) amb ( segid="sbm1" and resid 48 and name C ) amb ( segid="sbm1" and resid 48 and name CA ) 4.1900 0.2 0.2 amb assign ( resid 500 and name OO ) amb ( resid 500 and name Z ) amb ( resid 500 and name X ) amb ( resid 500 and name Y ) amb ( segid="sbm2" and resid 48 and name C ) amb ( segid="sbm2" and resid 48 and name CA ) 4.1900 0.2 0.2 amb lower peak ovlped in iso data ; 3962 1 3976 38 parsed_1b4c 1 107 "1.35 with PIPP and 1.12 with nmrDraw - ave = 1.24, LC pk ovlped" 4004 1 4004 66 parsed_1b4c 1 108 ; weak peak in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 76 and name C ) ( segid="sbm1" and resid 76 and name CA ) 4.1900 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 76 and name C ) ( segid="sbm2" and resid 76 and name CA ) 4.1900 0.2 0.2 amb - 77 ovlped in both LC and iso, dont use assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 82 and name C ) ( segid="sbm1" and resid 82 and name CA ) -4.2300 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 82 and name C ) ( segid="sbm2" and resid 82 and name CA ) -4.2300 0.2 0.2 - very weak pks in LC, and amb, bad peak in iso assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 87 and name C ) ( segid="sbm1" and resid 87 and name CA ) 3.1500 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 87 and name C ) ( segid="sbm2" and resid 87 and name CA ) 3.1500 0.2 0.2 amb - poor peak shape and quite weak in LC and iso ; 4019 1 4061 52 parsed_1b4c 1 109 "amb - poor peak shape in LC, low spiltting in iso (51.2), some vios" 4075 1 4075 69 parsed_1b4c 1 110 ; - very poor pk in iso out 980227 - vios ; 4089 1 4090 20 parsed_1b4c 1 111 ; poor peak shape LC & iso, and two LC peaks max at different planes this is a test table assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 1 and name C ) ( segid="sbm1" and resid 2 and name HN ) -3.8800 0.2 0.2 ; 4104 1 4113 72 parsed_1b4c 1 112 "nmrDraw= -1.90, PIPP= -2.51" 4142 1 4142 29 parsed_1b4c 1 113 ; vio in Rama plot for 56?? assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 56 and name C ) ( segid="sbm1" and resid 57 and name HN ) -1.8000 0.2 0.2 out 980312, poor peak shape LC, talos vio ; 4192 1 4200 44 parsed_1b4c 1 114 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 88 and name C ) ( segid="sbm1" and resid 89 and name HN ) 1.8300 0.2 0.2 second subunit assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 1 and name C ) ( segid="sbm2" and resid 2 and name HN ) -3.8800 0.2 0.2 ; 4265 1 4281 72 parsed_1b4c 1 115 "nmrDraw= -1.90, PIPP= -2.51" 4310 1 4310 29 parsed_1b4c 1 116 ; vio in Rama plot for 56?? assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 56 and name C ) ( segid="sbm2" and resid 57 and name HN ) -1.8000 0.2 0.2 out 980312, poor peak shape LC, talos vios ; 4360 1 4368 45 parsed_1b4c 1 117 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 88 and name C ) ( segid="sbm2" and resid 89 and name HN ) 1.8300 0.2 0.2 dipos from 2nd category that were promoted to #1 ; 4433 1 4440 50 parsed_1b4c 1 118 "back in 980210" 4448 1 4448 16 parsed_1b4c 1 119 "back in 980210" 4484 1 4484 16 parsed_1b4c 1 120 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 0 and name C ) ( segid="sbm1" and resid 1 and name N ) 1.7500 0.2 0.2 1a 2.13, 1b 1.37, ave = 1.75 ; 4513 1 4521 30 parsed_1b4c 1 121 ; ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 5 and name C ) ( segid="sbm1" and resid 6 and name N ) -0.1500 0.2 0.2 ave of -0.42(6a) and 0.12(6b), out 980311 ; 4536 1 4545 43 parsed_1b4c 1 122 "back in 980210, ovlps 79" 4553 1 4553 27 parsed_1b4c 1 123 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 11 and name C ) ( segid="sbm1" and resid 12 and name N ) 2.7000 0.2 0.2 very wk pk ; 4561 1 4569 12 parsed_1b4c 1 124 "back in 980210" 4577 1 4577 16 parsed_1b4c 1 125 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 14 and name C ) ( segid="sbm1" and resid 15 and name N ) -0.7500 0.2 0.2 very poor pk shape and weak assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 22 and name C ) ( segid="sbm1" and resid 23 and name N ) -0.2700 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 24 and name C ) ( segid="sbm1" and resid 25 and name N ) 1.7400 0.2 0.2 ovlps 51 in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 26 and name C ) ( segid="sbm1" and resid 27 and name N ) -1.6400 0.2 0.2 back in 980210, out 980313, ovlps 54 some in LC ; 4585 1 4617 49 parsed_1b4c 1 126 "peaks in LC ovlp slightly" 4625 1 4625 27 parsed_1b4c 1 127 "back in 980210" 4633 1 4633 16 parsed_1b4c 1 128 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 38 and name C ) ( segid="sbm1" and resid 39 and name N ) -0.2900 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 40 and name C ) ( segid="sbm1" and resid 41 and name N ) -0.06500 0.2 0.2 back in 980210, ave of 41d and 41e, out 980311 - vios ; 4649 1 4663 55 parsed_1b4c 1 129 ; back in 980210, ave of 42d (0.03) and 42e(-0.30) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 43 and name C ) ( segid="sbm1" and resid 44 and name N ) -0.1000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 49 and name C ) ( segid="sbm1" and resid 50 and name N ) -1.8000 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 50 and name C ) ( segid="sbm1" and resid 51 and name N ) 0.6100 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 58 and name C ) ( segid="sbm1" and resid 59 and name N ) -1.8200 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 65 and name C ) ( segid="sbm1" and resid 66 and name N ) -1.4200 0.2 0.2 own peaks ovlp in LC, out 980311 ; 4671 1 4710 34 parsed_1b4c 1 130 "back in 980210" 4718 1 4718 16 parsed_1b4c 1 131 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 89 and name C ) ( segid="sbm1" and resid 90 and name N ) 0.12000 0.2 0.2 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 90 and name C ) ( segid="sbm1" and resid 91 and name N ) 0.1600 0.2 0.2 SECOND SUBUNIT assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 0 and name C ) ( segid="sbm2" and resid 1 and name N ) 1.7500 0.2 0.2 1a 2.13, 1b 1.37, ave = 1.75 ; 4733 1 4761 30 parsed_1b4c 1 132 ; ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 5 and name C ) ( segid="sbm2" and resid 6 and name N ) -0.1500 0.2 0.2 ave of -0.42(6a) and 0.12(6b), out 980311 ; 4776 1 4785 43 parsed_1b4c 1 133 "back in 980210, ovlps 79" 4793 1 4793 27 parsed_1b4c 1 134 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 11 and name C ) ( segid="sbm2" and resid 12 and name N ) 2.7000 0.2 0.2 very wk pk ; 4801 1 4809 12 parsed_1b4c 1 135 "back in 980210" 4817 1 4817 16 parsed_1b4c 1 136 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 14 and name C ) ( segid="sbm2" and resid 15 and name N ) -0.7500 0.2 0.2 very poor pk shape and weak assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 22 and name C ) ( segid="sbm2" and resid 23 and name N ) -0.2700 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 24 and name C ) ( segid="sbm2" and resid 25 and name N ) 1.7400 0.2 0.2 ovlps 51 in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 26 and name C ) ( segid="sbm2" and resid 27 and name N ) -1.6400 0.2 0.2 back in 980210, ovlps 54 some in LC ; 4825 1 4857 37 parsed_1b4c 1 137 "peaks in LC ovlp slightly" 4865 1 4865 27 parsed_1b4c 1 138 "back in 980210" 4873 1 4873 16 parsed_1b4c 1 139 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 38 and name C ) ( segid="sbm2" and resid 39 and name N ) -0.2900 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 40 and name C ) ( segid="sbm2" and resid 41 and name N ) -0.06500 0.2 0.2 back in 980210, ave of 41d and 41e, out 980311 - vios ; 4889 1 4903 55 parsed_1b4c 1 140 ; back in 980210, ave of 42d (0.03) and 42e(-0.30) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 43 and name C ) ( segid="sbm2" and resid 44 and name N ) -0.1000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 49 and name C ) ( segid="sbm2" and resid 50 and name N ) -1.8000 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 50 and name C ) ( segid="sbm2" and resid 51 and name N ) 0.6100 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 58 and name C ) ( segid="sbm2" and resid 59 and name N ) -1.8200 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 65 and name C ) ( segid="sbm2" and resid 66 and name N ) -1.4200 0.2 0.2 own peaks ovlp in LC, out 980311 - vios ; 4911 1 4950 41 parsed_1b4c 1 141 "back in 980210" 4958 1 4958 16 parsed_1b4c 1 142 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 89 and name C ) ( segid="sbm2" and resid 90 and name N ) 0.12000 0.2 0.2 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 90 and name C ) ( segid="sbm2" and resid 91 and name N ) 0.1600 0.2 0.2 This is a test file ; 4973 1 4990 21 parsed_1b4c 1 143 "checked 980126 - looks OK - -0.75 w/nmrDraw" 5026 1 5026 45 parsed_1b4c 1 144 "checked 980126 - looks OK" 5055 1 5055 27 parsed_1b4c 1 145 "out 980312, poor peak shape" 5084 1 5084 29 parsed_1b4c 1 146 "checked 980126 - looks OK but peak is oblong" 5113 1 5113 46 parsed_1b4c 1 147 "some ovlp in LC of own 2 pks, ie too much to pick w/nmrDraw" 5149 1 5149 61 parsed_1b4c 1 148 "SECOND SUBUNIT" 5159 1 5159 16 parsed_1b4c 1 149 "checked 980126 - looks OK - -0.75 w/nmrDraw" 5195 1 5195 45 parsed_1b4c 1 150 "checked 980126 - looks OK" 5224 1 5224 27 parsed_1b4c 1 151 "out 980312, poor peak shape" 5253 1 5253 30 parsed_1b4c 1 152 "checked 980126 - looks OK but peak is oblong" 5282 1 5282 46 parsed_1b4c 1 153 "some ovlp in LC of own 2 pks, ie too much to pick w/nmrDraw" 5318 1 5318 61 parsed_1b4c 1 154 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 0 and name C ) ( segid="sbm1" and resid 1 and name N ) 1.7500 0.2 0.2 1a 2.13, 1b 1.37, ave = 1.75 ; 5327 1 5333 30 parsed_1b4c 1 155 ; ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 5 and name C ) ( segid="sbm1" and resid 6 and name N ) -0.1500 0.2 0.2 ave of -0.42(6a) and 0.12(6b), out 980311 ; 5348 1 5357 43 parsed_1b4c 1 156 "back in 980210, ovlps 79" 5365 1 5365 27 parsed_1b4c 1 157 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 11 and name C ) ( segid="sbm1" and resid 12 and name N ) 2.7000 0.2 0.2 very wk pk ; 5373 1 5381 12 parsed_1b4c 1 158 "back in 980210" 5389 1 5389 16 parsed_1b4c 1 159 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 14 and name C ) ( segid="sbm1" and resid 15 and name N ) -0.7500 0.2 0.2 very poor pk shape and weak assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 22 and name C ) ( segid="sbm1" and resid 23 and name N ) -0.2700 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 24 and name C ) ( segid="sbm1" and resid 25 and name N ) 1.7400 0.2 0.2 ovlps 51 in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 26 and name C ) ( segid="sbm1" and resid 27 and name N ) -1.6400 0.2 0.2 back in 980210, out 980313, ovlps 54 some in LC ; 5397 1 5429 49 parsed_1b4c 1 160 "peaks in LC ovlp slightly" 5437 1 5437 27 parsed_1b4c 1 161 "back in 980210" 5445 1 5445 16 parsed_1b4c 1 162 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 38 and name C ) ( segid="sbm1" and resid 39 and name N ) -0.2900 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 40 and name C ) ( segid="sbm1" and resid 41 and name N ) -0.06500 0.2 0.2 back in 980210, ave of 41d and 41e, out 980311 - vios ; 5461 1 5475 55 parsed_1b4c 1 163 ; back in 980210, ave of 42d (0.03) and 42e(-0.30) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 43 and name C ) ( segid="sbm1" and resid 44 and name N ) -0.1000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 49 and name C ) ( segid="sbm1" and resid 50 and name N ) -1.8000 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 50 and name C ) ( segid="sbm1" and resid 51 and name N ) 0.6100 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 58 and name C ) ( segid="sbm1" and resid 59 and name N ) -1.8200 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 65 and name C ) ( segid="sbm1" and resid 66 and name N ) -1.4200 0.2 0.2 own peaks ovlp in LC, out 980311 ; 5483 1 5522 34 parsed_1b4c 1 164 "back in 980210" 5530 1 5530 16 parsed_1b4c 1 165 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 89 and name C ) ( segid="sbm1" and resid 90 and name N ) 0.12000 0.2 0.2 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm1" and resid 90 and name C ) ( segid="sbm1" and resid 91 and name N ) 0.1600 0.2 0.2 SECOND SUBUNIT assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 0 and name C ) ( segid="sbm2" and resid 1 and name N ) 1.7500 0.2 0.2 1a 2.13, 1b 1.37, ave = 1.75 ; 5545 1 5573 30 parsed_1b4c 1 166 ; ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 5 and name C ) ( segid="sbm2" and resid 6 and name N ) -0.1500 0.2 0.2 ave of -0.42(6a) and 0.12(6b), out 980311 ; 5588 1 5597 43 parsed_1b4c 1 167 "back in 980210, ovlps 79" 5605 1 5605 27 parsed_1b4c 1 168 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 11 and name C ) ( segid="sbm2" and resid 12 and name N ) 2.7000 0.2 0.2 very wk pk ; 5613 1 5621 12 parsed_1b4c 1 169 "back in 980210" 5629 1 5629 16 parsed_1b4c 1 170 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 14 and name C ) ( segid="sbm2" and resid 15 and name N ) -0.7500 0.2 0.2 very poor pk shape and weak assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 22 and name C ) ( segid="sbm2" and resid 23 and name N ) -0.2700 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 24 and name C ) ( segid="sbm2" and resid 25 and name N ) 1.7400 0.2 0.2 ovlps 51 in LC assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 26 and name C ) ( segid="sbm2" and resid 27 and name N ) -1.6400 0.2 0.2 back in 980210, ovlps 54 some in LC ; 5637 1 5669 37 parsed_1b4c 1 171 "peaks in LC ovlp slightly" 5677 1 5677 27 parsed_1b4c 1 172 "back in 980210" 5685 1 5685 16 parsed_1b4c 1 173 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 38 and name C ) ( segid="sbm2" and resid 39 and name N ) -0.2900 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 40 and name C ) ( segid="sbm2" and resid 41 and name N ) -0.06500 0.2 0.2 back in 980210, ave of 41d and 41e, out 980311 - vios ; 5701 1 5715 55 parsed_1b4c 1 174 ; back in 980210, ave of 42d (0.03) and 42e(-0.30) assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 43 and name C ) ( segid="sbm2" and resid 44 and name N ) -0.1000 0.2 0.2 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 49 and name C ) ( segid="sbm2" and resid 50 and name N ) -1.8000 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 50 and name C ) ( segid="sbm2" and resid 51 and name N ) 0.6100 0.2 0.2 back in 980210, out 980311 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 58 and name C ) ( segid="sbm2" and resid 59 and name N ) -1.8200 0.2 0.2 back in 980210, out 980311 - vios assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 65 and name C ) ( segid="sbm2" and resid 66 and name N ) -1.4200 0.2 0.2 own peaks ovlp in LC, out 980311 - vios ; 5723 1 5762 41 parsed_1b4c 1 175 "back in 980210" 5770 1 5770 16 parsed_1b4c 1 176 ; back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 89 and name C ) ( segid="sbm2" and resid 90 and name N ) 0.12000 0.2 0.2 back in 980210 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( segid="sbm2" and resid 90 and name C ) ( segid="sbm2" and resid 91 and name N ) 0.1600 0.2 0.2 this is a test file ; 5785 1 5802 21 parsed_1b4c 1 stop_ save_
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