NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
378550 |
1hfg   |
4914 | cing | recoord | 3-converted-DOCR | STAR | entry | full | 824 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1hfg
# This DOCR archive file contains, for PDB entry <1hfg>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1hfg
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1hfg"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1hfg"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1hfg
_Assembly.ID 1
_Assembly.Name 1hfg
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 8134.662
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "VIRAL MACROPHAGE INFLAMMATORY PROTEIN II" 1 $VIRAL_MACROPHAGE_INFLAMMATORY_PROTEIN_II A . no . . . . . . rr_1hfg 1
stop_
save_
save_VIRAL_MACROPHAGE_INFLAMMATORY_PROTEIN_II
_Entity.Sf_category entity
_Entity.Sf_framecode VIRAL_MACROPHAGE_INFLAMMATORY_PROTEIN_II
_Entity.Entry_ID rr_1hfg
_Entity.ID 1
_Entity.Name VIRAL_MACROPHAGE_INFLAMMATORY_PROTEIN_II
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;LGASWHRPDKCCLGYQKRPL
PQVLLSSWYPTSQLCSKPGV
IFLTKRGRQVCADKSKDWVK
KLMQQLPVTAR
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 71
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 8134.662
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . LEU . rr_1hfg 1
2 . GLY . rr_1hfg 1
3 . ALA . rr_1hfg 1
4 . SER . rr_1hfg 1
5 . TRP . rr_1hfg 1
6 . HIS . rr_1hfg 1
7 . ARG . rr_1hfg 1
8 . PRO . rr_1hfg 1
9 . ASP . rr_1hfg 1
10 . LYS . rr_1hfg 1
11 . CYS . rr_1hfg 1
12 . CYS . rr_1hfg 1
13 . LEU . rr_1hfg 1
14 . GLY . rr_1hfg 1
15 . TYR . rr_1hfg 1
16 . GLN . rr_1hfg 1
17 . LYS . rr_1hfg 1
18 . ARG . rr_1hfg 1
19 . PRO . rr_1hfg 1
20 . LEU . rr_1hfg 1
21 . PRO . rr_1hfg 1
22 . GLN . rr_1hfg 1
23 . VAL . rr_1hfg 1
24 . LEU . rr_1hfg 1
25 . LEU . rr_1hfg 1
26 . SER . rr_1hfg 1
27 . SER . rr_1hfg 1
28 . TRP . rr_1hfg 1
29 . TYR . rr_1hfg 1
30 . PRO . rr_1hfg 1
31 . THR . rr_1hfg 1
32 . SER . rr_1hfg 1
33 . GLN . rr_1hfg 1
34 . LEU . rr_1hfg 1
35 . CYS . rr_1hfg 1
36 . SER . rr_1hfg 1
37 . LYS . rr_1hfg 1
38 . PRO . rr_1hfg 1
39 . GLY . rr_1hfg 1
40 . VAL . rr_1hfg 1
41 . ILE . rr_1hfg 1
42 . PHE . rr_1hfg 1
43 . LEU . rr_1hfg 1
44 . THR . rr_1hfg 1
45 . LYS . rr_1hfg 1
46 . ARG . rr_1hfg 1
47 . GLY . rr_1hfg 1
48 . ARG . rr_1hfg 1
49 . GLN . rr_1hfg 1
50 . VAL . rr_1hfg 1
51 . CYS . rr_1hfg 1
52 . ALA . rr_1hfg 1
53 . ASP . rr_1hfg 1
54 . LYS . rr_1hfg 1
55 . SER . rr_1hfg 1
56 . LYS . rr_1hfg 1
57 . ASP . rr_1hfg 1
58 . TRP . rr_1hfg 1
59 . VAL . rr_1hfg 1
60 . LYS . rr_1hfg 1
61 . LYS . rr_1hfg 1
62 . LEU . rr_1hfg 1
63 . MET . rr_1hfg 1
64 . GLN . rr_1hfg 1
65 . GLN . rr_1hfg 1
66 . LEU . rr_1hfg 1
67 . PRO . rr_1hfg 1
68 . VAL . rr_1hfg 1
69 . THR . rr_1hfg 1
70 . ALA . rr_1hfg 1
71 . ARG . rr_1hfg 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. LEU 1 1 rr_1hfg 1
. GLY 2 2 rr_1hfg 1
. ALA 3 3 rr_1hfg 1
. SER 4 4 rr_1hfg 1
. TRP 5 5 rr_1hfg 1
. HIS 6 6 rr_1hfg 1
. ARG 7 7 rr_1hfg 1
. PRO 8 8 rr_1hfg 1
. ASP 9 9 rr_1hfg 1
. LYS 10 10 rr_1hfg 1
. CYS 11 11 rr_1hfg 1
. CYS 12 12 rr_1hfg 1
. LEU 13 13 rr_1hfg 1
. GLY 14 14 rr_1hfg 1
. TYR 15 15 rr_1hfg 1
. GLN 16 16 rr_1hfg 1
. LYS 17 17 rr_1hfg 1
. ARG 18 18 rr_1hfg 1
. PRO 19 19 rr_1hfg 1
. LEU 20 20 rr_1hfg 1
. PRO 21 21 rr_1hfg 1
. GLN 22 22 rr_1hfg 1
. VAL 23 23 rr_1hfg 1
. LEU 24 24 rr_1hfg 1
. LEU 25 25 rr_1hfg 1
. SER 26 26 rr_1hfg 1
. SER 27 27 rr_1hfg 1
. TRP 28 28 rr_1hfg 1
. TYR 29 29 rr_1hfg 1
. PRO 30 30 rr_1hfg 1
. THR 31 31 rr_1hfg 1
. SER 32 32 rr_1hfg 1
. GLN 33 33 rr_1hfg 1
. LEU 34 34 rr_1hfg 1
. CYS 35 35 rr_1hfg 1
. SER 36 36 rr_1hfg 1
. LYS 37 37 rr_1hfg 1
. PRO 38 38 rr_1hfg 1
. GLY 39 39 rr_1hfg 1
. VAL 40 40 rr_1hfg 1
. ILE 41 41 rr_1hfg 1
. PHE 42 42 rr_1hfg 1
. LEU 43 43 rr_1hfg 1
. THR 44 44 rr_1hfg 1
. LYS 45 45 rr_1hfg 1
. ARG 46 46 rr_1hfg 1
. GLY 47 47 rr_1hfg 1
. ARG 48 48 rr_1hfg 1
. GLN 49 49 rr_1hfg 1
. VAL 50 50 rr_1hfg 1
. CYS 51 51 rr_1hfg 1
. ALA 52 52 rr_1hfg 1
. ASP 53 53 rr_1hfg 1
. LYS 54 54 rr_1hfg 1
. SER 55 55 rr_1hfg 1
. LYS 56 56 rr_1hfg 1
. ASP 57 57 rr_1hfg 1
. TRP 58 58 rr_1hfg 1
. VAL 59 59 rr_1hfg 1
. LYS 60 60 rr_1hfg 1
. LYS 61 61 rr_1hfg 1
. LEU 62 62 rr_1hfg 1
. MET 63 63 rr_1hfg 1
. GLN 64 64 rr_1hfg 1
. GLN 65 65 rr_1hfg 1
. LEU 66 66 rr_1hfg 1
. PRO 67 67 rr_1hfg 1
. VAL 68 68 rr_1hfg 1
. THR 69 69 rr_1hfg 1
. ALA 70 70 rr_1hfg 1
. ARG 71 71 rr_1hfg 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1hfg
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_1hfg
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_1hfg 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_1hfg 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 LEU C C 2.722 -20.990 -16.490 . . . 1.0 . . . . . . . . . . . . A . 1 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 2 . 1 1 1 LEU CA C 3.243 -21.438 -15.128 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 3 . 1 1 1 LEU CB C 4.533 -22.240 -15.312 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 4 . 1 1 1 LEU CD1 C 5.957 -20.187 -15.237 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 5 . 1 1 1 LEU CD2 C 5.290 -21.323 -13.115 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 6 . 1 1 1 LEU CG C 5.679 -21.540 -14.579 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 7 . 1 1 1 LEU H1 H 1.603 -22.721 -15.180 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H1 . . . . . . . . . rr_1hfg 1
. 1 . 8 . 1 1 1 LEU H2 H 2.694 -23.040 -13.916 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H2 . . . . . . . . . rr_1hfg 1
. 1 . 9 . 1 1 1 LEU H3 H 1.645 -21.707 -13.821 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H3 . . . . . . . . . rr_1hfg 1
. 1 . 10 . 1 1 1 LEU HA H 3.443 -20.571 -14.516 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 11 . 1 1 1 LEU HB2 H 4.400 -23.233 -14.909 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 12 . 1 1 1 LEU HB3 H 4.769 -22.306 -16.364 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 13 . 1 1 1 LEU HD11 H 5.063 -19.579 -15.202 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 14 . 1 1 1 LEU HD12 H 6.756 -19.687 -14.706 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 15 . 1 1 1 LEU HD13 H 6.248 -20.341 -16.267 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 16 . 1 1 1 LEU HD21 H 4.223 -21.452 -13.002 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 17 . 1 1 1 LEU HD22 H 5.807 -22.041 -12.494 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 18 . 1 1 1 LEU HD23 H 5.565 -20.323 -12.814 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 19 . 1 1 1 LEU HG H 6.567 -22.154 -14.630 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 20 . 1 1 1 LEU N N 2.219 -22.291 -14.461 . . . 1.0 . . . . . . . . . . . . A . 1 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 21 . 1 1 1 LEU O O 1.519 -21.007 -16.747 . . . 1.0 . . . . . . . . . . . . A . 1 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 22 . 1 1 2 GLY C C 2.738 -18.704 -18.650 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1hfg 1
. 1 . 23 . 1 1 2 GLY CA C 3.270 -20.132 -18.696 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1hfg 1
. 1 . 24 . 1 1 2 GLY H H 4.589 -20.592 -17.099 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1hfg 1
. 1 . 25 . 1 1 2 GLY HA2 H 2.504 -20.781 -19.091 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1hfg 1
. 1 . 26 . 1 1 2 GLY HA3 H 4.137 -20.170 -19.340 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1hfg 1
. 1 . 27 . 1 1 2 GLY N N 3.644 -20.586 -17.359 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1hfg 1
. 1 . 28 . 1 1 2 GLY O O 1.530 -18.478 -18.585 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1hfg 1
. 1 . 29 . 1 1 3 ALA C C 2.564 -16.019 -17.326 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1hfg 1
. 1 . 30 . 1 1 3 ALA CA C 3.270 -16.334 -18.640 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1hfg 1
. 1 . 31 . 1 1 3 ALA CB C 2.334 -15.999 -19.803 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1hfg 1
. 1 . 32 . 1 1 3 ALA H H 4.605 -17.981 -18.732 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1hfg 1
. 1 . 33 . 1 1 3 ALA HA H 4.157 -15.723 -18.718 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1hfg 1
. 1 . 34 . 1 1 3 ALA HB1 H 2.285 -16.840 -20.479 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1hfg 1
. 1 . 35 . 1 1 3 ALA HB2 H 2.709 -15.135 -20.330 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1hfg 1
. 1 . 36 . 1 1 3 ALA HB3 H 1.346 -15.788 -19.420 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1hfg 1
. 1 . 37 . 1 1 3 ALA N N 3.656 -17.742 -18.682 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1hfg 1
. 1 . 38 . 1 1 3 ALA O O 1.577 -15.284 -17.293 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1hfg 1
. 1 . 39 . 1 1 4 SER C C 2.419 -14.883 -14.605 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_1hfg 1
. 1 . 40 . 1 1 4 SER CA C 2.495 -16.373 -14.922 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_1hfg 1
. 1 . 41 . 1 1 4 SER CB C 3.330 -17.067 -13.846 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_1hfg 1
. 1 . 42 . 1 1 4 SER H H 3.867 -17.169 -16.331 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_1hfg 1
. 1 . 43 . 1 1 4 SER HA H 1.498 -16.786 -14.909 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_1hfg 1
. 1 . 44 . 1 1 4 SER HB2 H 3.919 -17.850 -14.294 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_1hfg 1
. 1 . 45 . 1 1 4 SER HB3 H 3.989 -16.345 -13.382 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_1hfg 1
. 1 . 46 . 1 1 4 SER HG H 1.851 -16.949 -12.587 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_1hfg 1
. 1 . 47 . 1 1 4 SER N N 3.081 -16.590 -16.242 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_1hfg 1
. 1 . 48 . 1 1 4 SER O O 1.585 -14.446 -13.813 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_1hfg 1
. 1 . 49 . 1 1 4 SER OG O 2.464 -17.632 -12.871 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_1hfg 1
. 1 . 50 . 1 1 5 TRP C C 1.948 -12.061 -15.297 . . . 1.0 . . . . . . . . . . . . A . 5 TRP C . . . . . . . . . rr_1hfg 1
. 1 . 51 . 1 1 5 TRP CA C 3.321 -12.665 -15.001 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CA . . . . . . . . . rr_1hfg 1
. 1 . 52 . 1 1 5 TRP CB C 4.394 -11.993 -15.874 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CB . . . . . . . . . rr_1hfg 1
. 1 . 53 . 1 1 5 TRP CD1 C 3.767 -12.524 -18.270 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD1 . . . . . . . . . rr_1hfg 1
. 1 . 54 . 1 1 5 TRP CD2 C 3.292 -10.401 -17.700 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CD2 . . . . . . . . . rr_1hfg 1
. 1 . 55 . 1 1 5 TRP CE2 C 2.894 -10.557 -19.049 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE2 . . . . . . . . . rr_1hfg 1
. 1 . 56 . 1 1 5 TRP CE3 C 3.100 -9.146 -17.094 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CE3 . . . . . . . . . rr_1hfg 1
. 1 . 57 . 1 1 5 TRP CG C 3.843 -11.664 -17.229 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CG . . . . . . . . . rr_1hfg 1
. 1 . 58 . 1 1 5 TRP CH2 C 2.143 -8.266 -19.152 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CH2 . . . . . . . . . rr_1hfg 1
. 1 . 59 . 1 1 5 TRP CZ2 C 2.327 -9.506 -19.770 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ2 . . . . . . . . . rr_1hfg 1
. 1 . 60 . 1 1 5 TRP CZ3 C 2.530 -8.086 -17.816 . . . 1.0 . . . . . . . . . . . . A . 5 TRP CZ3 . . . . . . . . . rr_1hfg 1
. 1 . 61 . 1 1 5 TRP H H 3.944 -14.507 -15.851 . . . 1.0 . . . . . . . . . . . . A . 5 TRP H . . . . . . . . . rr_1hfg 1
. 1 . 62 . 1 1 5 TRP HA H 3.559 -12.485 -13.962 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HA . . . . . . . . . rr_1hfg 1
. 1 . 63 . 1 1 5 TRP HB2 H 4.725 -11.084 -15.396 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB2 . . . . . . . . . rr_1hfg 1
. 1 . 64 . 1 1 5 TRP HB3 H 5.234 -12.663 -15.984 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HB3 . . . . . . . . . rr_1hfg 1
. 1 . 65 . 1 1 5 TRP HD1 H 4.093 -13.554 -18.260 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HD1 . . . . . . . . . rr_1hfg 1
. 1 . 66 . 1 1 5 TRP HE1 H 3.038 -12.268 -20.231 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE1 . . . . . . . . . rr_1hfg 1
. 1 . 67 . 1 1 5 TRP HE3 H 3.394 -8.997 -16.065 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HE3 . . . . . . . . . rr_1hfg 1
. 1 . 68 . 1 1 5 TRP HH2 H 1.705 -7.447 -19.703 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HH2 . . . . . . . . . rr_1hfg 1
. 1 . 69 . 1 1 5 TRP HZ2 H 2.031 -9.649 -20.799 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 70 . 1 1 5 TRP HZ3 H 2.387 -7.127 -17.341 . . . 1.0 . . . . . . . . . . . . A . 5 TRP HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 71 . 1 1 5 TRP N N 3.300 -14.106 -15.230 . . . 1.0 . . . . . . . . . . . . A . 5 TRP N . . . . . . . . . rr_1hfg 1
. 1 . 72 . 1 1 5 TRP NE1 N 3.204 -11.868 -19.351 . . . 1.0 . . . . . . . . . . . . A . 5 TRP NE1 . . . . . . . . . rr_1hfg 1
. 1 . 73 . 1 1 5 TRP O O 1.573 -11.028 -14.740 . . . 1.0 . . . . . . . . . . . . A . 5 TRP O . . . . . . . . . rr_1hfg 1
. 1 . 74 . 1 1 6 HIS C C -1.030 -12.191 -15.322 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_1hfg 1
. 1 . 75 . 1 1 6 HIS CA C -0.127 -12.249 -16.550 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_1hfg 1
. 1 . 76 . 1 1 6 HIS CB C -0.757 -13.180 -17.587 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_1hfg 1
. 1 . 77 . 1 1 6 HIS CD2 C 0.811 -13.007 -19.689 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_1hfg 1
. 1 . 78 . 1 1 6 HIS CE1 C -0.467 -11.778 -20.935 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_1hfg 1
. 1 . 79 . 1 1 6 HIS CG C -0.330 -12.759 -18.966 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_1hfg 1
. 1 . 80 . 1 1 6 HIS H H 1.557 -13.539 -16.591 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_1hfg 1
. 1 . 81 . 1 1 6 HIS HA H -0.044 -11.259 -16.973 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_1hfg 1
. 1 . 82 . 1 1 6 HIS HB2 H -0.434 -14.194 -17.404 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 83 . 1 1 6 HIS HB3 H -1.833 -13.126 -17.512 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 84 . 1 1 6 HIS HD1 H -2.019 -11.624 -19.556 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_1hfg 1
. 1 . 85 . 1 1 6 HIS HD2 H 1.650 -13.594 -19.345 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 86 . 1 1 6 HIS HE1 H -0.850 -11.201 -21.763 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_1hfg 1
. 1 . 87 . 1 1 6 HIS N N 1.205 -12.721 -16.181 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_1hfg 1
. 1 . 88 . 1 1 6 HIS ND1 N -1.131 -11.974 -19.780 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_1hfg 1
. 1 . 89 . 1 1 6 HIS NE2 N 0.722 -12.387 -20.932 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_1hfg 1
. 1 . 90 . 1 1 6 HIS O O -2.090 -11.566 -15.342 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_1hfg 1
. 1 . 91 . 1 1 7 ARG C C -0.772 -11.910 -11.995 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . rr_1hfg 1
. 1 . 92 . 1 1 7 ARG CA C -1.372 -12.875 -13.015 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . rr_1hfg 1
. 1 . 93 . 1 1 7 ARG CB C -1.385 -14.283 -12.418 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . rr_1hfg 1
. 1 . 94 . 1 1 7 ARG CD C -1.323 -14.914 -10.001 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . rr_1hfg 1
. 1 . 95 . 1 1 7 ARG CG C -2.167 -14.273 -11.103 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . rr_1hfg 1
. 1 . 96 . 1 1 7 ARG CZ C -2.741 -16.697 -9.156 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . rr_1hfg 1
. 1 . 97 . 1 1 7 ARG H H 0.256 -13.335 -14.295 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . rr_1hfg 1
. 1 . 98 . 1 1 7 ARG HA H -2.387 -12.579 -13.231 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . rr_1hfg 1
. 1 . 99 . 1 1 7 ARG HB2 H -1.855 -14.965 -13.113 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . rr_1hfg 1
. 1 . 100 . 1 1 7 ARG HB3 H -0.371 -14.603 -12.228 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . rr_1hfg 1
. 1 . 101 . 1 1 7 ARG HD2 H -0.278 -14.829 -10.258 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . rr_1hfg 1
. 1 . 102 . 1 1 7 ARG HD3 H -1.502 -14.395 -9.070 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . rr_1hfg 1
. 1 . 103 . 1 1 7 ARG HE H -1.092 -17.008 -10.251 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . rr_1hfg 1
. 1 . 104 . 1 1 7 ARG HG2 H -2.402 -13.254 -10.832 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . rr_1hfg 1
. 1 . 105 . 1 1 7 ARG HG3 H -3.082 -14.833 -11.224 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . rr_1hfg 1
. 1 . 106 . 1 1 7 ARG HH11 H -3.290 -14.825 -8.708 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . rr_1hfg 1
. 1 . 107 . 1 1 7 ARG HH12 H -4.319 -16.075 -8.093 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . rr_1hfg 1
. 1 . 108 . 1 1 7 ARG HH21 H -2.438 -18.654 -9.447 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . rr_1hfg 1
. 1 . 109 . 1 1 7 ARG HH22 H -3.836 -18.243 -8.511 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . rr_1hfg 1
. 1 . 110 . 1 1 7 ARG N N -0.597 -12.853 -14.253 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . rr_1hfg 1
. 1 . 111 . 1 1 7 ARG NE N -1.665 -16.325 -9.844 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . rr_1hfg 1
. 1 . 112 . 1 1 7 ARG NH1 N -3.510 -15.795 -8.610 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . rr_1hfg 1
. 1 . 113 . 1 1 7 ARG NH2 N -3.027 -17.964 -9.028 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . rr_1hfg 1
. 1 . 114 . 1 1 7 ARG O O 0.256 -12.198 -11.382 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . rr_1hfg 1
. 1 . 115 . 1 1 8 PRO C C -1.344 -10.053 -9.413 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . rr_1hfg 1
. 1 . 116 . 1 1 8 PRO CA C -0.936 -9.740 -10.850 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . rr_1hfg 1
. 1 . 117 . 1 1 8 PRO CB C -1.631 -8.480 -11.349 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . rr_1hfg 1
. 1 . 118 . 1 1 8 PRO CD C -2.643 -10.392 -12.528 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . rr_1hfg 1
. 1 . 119 . 1 1 8 PRO CG C -2.864 -8.929 -12.127 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . rr_1hfg 1
. 1 . 120 . 1 1 8 PRO HA H 0.131 -9.617 -10.924 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . rr_1hfg 1
. 1 . 121 . 1 1 8 PRO HB2 H -1.925 -7.865 -10.509 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . rr_1hfg 1
. 1 . 122 . 1 1 8 PRO HB3 H -0.972 -7.927 -12.000 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . rr_1hfg 1
. 1 . 123 . 1 1 8 PRO HD2 H -3.475 -11.004 -12.205 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . rr_1hfg 1
. 1 . 124 . 1 1 8 PRO HD3 H -2.493 -10.478 -13.592 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . rr_1hfg 1
. 1 . 125 . 1 1 8 PRO HG2 H -3.742 -8.844 -11.502 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . rr_1hfg 1
. 1 . 126 . 1 1 8 PRO HG3 H -2.981 -8.324 -13.012 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . rr_1hfg 1
. 1 . 127 . 1 1 8 PRO N N -1.410 -10.756 -11.805 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . rr_1hfg 1
. 1 . 128 . 1 1 8 PRO O O -2.363 -9.567 -8.921 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . rr_1hfg 1
. 1 . 129 . 1 1 9 ASP C C -0.698 -10.038 -6.447 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_1hfg 1
. 1 . 130 . 1 1 9 ASP CA C -0.819 -11.250 -7.365 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_1hfg 1
. 1 . 131 . 1 1 9 ASP CB C 0.156 -12.331 -6.894 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_1hfg 1
. 1 . 132 . 1 1 9 ASP CG C -0.624 -13.572 -6.473 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_1hfg 1
. 1 . 133 . 1 1 9 ASP H H 0.261 -11.231 -9.191 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_1hfg 1
. 1 . 134 . 1 1 9 ASP HA H -1.825 -11.637 -7.305 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_1hfg 1
. 1 . 135 . 1 1 9 ASP HB2 H 0.829 -12.585 -7.701 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_1hfg 1
. 1 . 136 . 1 1 9 ASP HB3 H 0.724 -11.963 -6.054 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_1hfg 1
. 1 . 137 . 1 1 9 ASP N N -0.536 -10.873 -8.747 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_1hfg 1
. 1 . 138 . 1 1 9 ASP O O 0.129 -10.011 -5.536 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_1hfg 1
. 1 . 139 . 1 1 9 ASP OD1 O -1.761 -13.704 -6.893 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_1hfg 1
. 1 . 140 . 1 1 9 ASP OD2 O -0.072 -14.372 -5.735 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_1hfg 1
. 1 . 141 . 1 1 10 LYS C C -2.250 -8.046 -4.570 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 142 . 1 1 10 LYS CA C -1.515 -7.821 -5.889 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 143 . 1 1 10 LYS CB C -2.178 -6.665 -6.641 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 144 . 1 1 10 LYS CD C -1.811 -5.362 -8.741 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 145 . 1 1 10 LYS CE C -0.932 -5.369 -9.994 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 146 . 1 1 10 LYS CG C -1.839 -6.763 -8.130 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 147 . 1 1 10 LYS H H -2.172 -9.112 -7.438 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 148 . 1 1 10 LYS HA H -0.490 -7.557 -5.678 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 149 . 1 1 10 LYS HB2 H -3.249 -6.717 -6.510 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 150 . 1 1 10 LYS HB3 H -1.813 -5.726 -6.252 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 151 . 1 1 10 LYS HD2 H -2.815 -5.065 -9.007 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 152 . 1 1 10 LYS HD3 H -1.406 -4.664 -8.024 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 153 . 1 1 10 LYS HE2 H -0.036 -5.941 -9.802 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 154 . 1 1 10 LYS HE3 H -1.476 -5.815 -10.813 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 155 . 1 1 10 LYS HG2 H -0.871 -7.229 -8.248 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 156 . 1 1 10 LYS HG3 H -2.588 -7.358 -8.631 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 157 . 1 1 10 LYS HZ1 H -0.064 -3.529 -9.547 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 158 . 1 1 10 LYS HZ2 H 0.062 -3.977 -11.182 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 159 . 1 1 10 LYS HZ3 H -1.420 -3.425 -10.561 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 160 . 1 1 10 LYS N N -1.534 -9.035 -6.699 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 161 . 1 1 10 LYS NZ N -0.560 -3.969 -10.347 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 162 . 1 1 10 LYS O O -2.200 -7.211 -3.666 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 163 . 1 1 11 CYS C C -2.706 -9.939 -2.149 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1hfg 1
. 1 . 164 . 1 1 11 CYS CA C -3.671 -9.511 -3.251 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1hfg 1
. 1 . 165 . 1 1 11 CYS CB C -4.668 -10.643 -3.511 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1hfg 1
. 1 . 166 . 1 1 11 CYS H H -2.936 -9.815 -5.217 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1hfg 1
. 1 . 167 . 1 1 11 CYS HA H -4.212 -8.636 -2.923 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1hfg 1
. 1 . 168 . 1 1 11 CYS HB2 H -4.163 -11.593 -3.428 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 169 . 1 1 11 CYS HB3 H -5.465 -10.594 -2.783 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 170 . 1 1 11 CYS N N -2.932 -9.185 -4.468 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1hfg 1
. 1 . 171 . 1 1 11 CYS O O -2.802 -11.042 -1.611 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1hfg 1
. 1 . 172 . 1 1 11 CYS SG S -5.361 -10.470 -5.175 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1hfg 1
. 1 . 173 . 1 1 12 CYS C C -1.406 -10.105 0.364 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1hfg 1
. 1 . 174 . 1 1 12 CYS CA C -0.781 -9.332 -0.792 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1hfg 1
. 1 . 175 . 1 1 12 CYS CB C -0.196 -8.027 -0.247 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1hfg 1
. 1 . 176 . 1 1 12 CYS H H -1.746 -8.189 -2.294 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_1hfg 1
. 1 . 177 . 1 1 12 CYS HA H 0.017 -9.920 -1.219 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_1hfg 1
. 1 . 178 . 1 1 12 CYS HB2 H -0.930 -7.240 -0.336 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 179 . 1 1 12 CYS HB3 H 0.066 -8.158 0.792 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 180 . 1 1 12 CYS N N -1.772 -9.050 -1.826 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1hfg 1
. 1 . 181 . 1 1 12 CYS O O -2.339 -9.632 1.013 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1hfg 1
. 1 . 182 . 1 1 12 CYS SG S 1.282 -7.583 -1.191 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1hfg 1
. 1 . 183 . 1 1 13 LEU C C -1.154 -11.393 3.043 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 184 . 1 1 13 LEU CA C -1.378 -12.117 1.721 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 185 . 1 1 13 LEU CB C -0.660 -13.467 1.760 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 186 . 1 1 13 LEU CD1 C 0.449 -15.199 0.341 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 187 . 1 1 13 LEU CD2 C -2.038 -15.178 0.571 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 188 . 1 1 13 LEU CG C -0.784 -14.305 0.486 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 189 . 1 1 13 LEU H H -0.122 -11.619 0.084 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 190 . 1 1 13 LEU HA H -2.435 -12.282 1.581 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 191 . 1 1 13 LEU HB2 H 0.387 -13.289 1.944 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 192 . 1 1 13 LEU HB3 H -1.058 -14.037 2.588 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 193 . 1 1 13 LEU HD11 H 1.292 -14.731 0.828 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 194 . 1 1 13 LEU HD12 H 0.255 -16.157 0.800 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 195 . 1 1 13 LEU HD13 H 0.670 -15.340 -0.706 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 196 . 1 1 13 LEU HD21 H -2.402 -15.186 1.588 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 197 . 1 1 13 LEU HD22 H -2.800 -14.778 -0.081 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 198 . 1 1 13 LEU HD23 H -1.797 -16.186 0.267 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 199 . 1 1 13 LEU HG H -0.856 -13.650 -0.370 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 200 . 1 1 13 LEU N N -0.872 -11.295 0.626 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 201 . 1 1 13 LEU O O -1.985 -11.444 3.950 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 202 . 1 1 14 GLY C C 0.411 -8.464 3.997 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . rr_1hfg 1
. 1 . 203 . 1 1 14 GLY CA C 0.323 -9.949 4.328 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . rr_1hfg 1
. 1 . 204 . 1 1 14 GLY H H 0.594 -10.698 2.364 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . rr_1hfg 1
. 1 . 205 . 1 1 14 GLY HA2 H 1.276 -10.285 4.704 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . rr_1hfg 1
. 1 . 206 . 1 1 14 GLY HA3 H -0.438 -10.106 5.080 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . rr_1hfg 1
. 1 . 207 . 1 1 14 GLY N N -0.020 -10.705 3.128 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . rr_1hfg 1
. 1 . 208 . 1 1 14 GLY O O 0.550 -8.083 2.835 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . rr_1hfg 1
. 1 . 209 . 1 1 15 TYR C C 1.589 -5.578 5.526 . . . 1.0 . . . . . . . . . . . . A . 15 TYR C . . . . . . . . . rr_1hfg 1
. 1 . 210 . 1 1 15 TYR CA C 0.388 -6.183 4.809 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CA . . . . . . . . . rr_1hfg 1
. 1 . 211 . 1 1 15 TYR CB C -0.889 -5.511 5.312 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CB . . . . . . . . . rr_1hfg 1
. 1 . 212 . 1 1 15 TYR CD1 C -2.449 -5.528 3.334 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CD1 . . . . . . . . . rr_1hfg 1
. 1 . 213 . 1 1 15 TYR CD2 C -2.797 -7.146 5.105 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CD2 . . . . . . . . . rr_1hfg 1
. 1 . 214 . 1 1 15 TYR CE1 C -3.545 -6.050 2.640 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CE1 . . . . . . . . . rr_1hfg 1
. 1 . 215 . 1 1 15 TYR CE2 C -3.894 -7.669 4.411 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CE2 . . . . . . . . . rr_1hfg 1
. 1 . 216 . 1 1 15 TYR CG C -2.074 -6.075 4.566 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CG . . . . . . . . . rr_1hfg 1
. 1 . 217 . 1 1 15 TYR CZ C -4.268 -7.122 3.178 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CZ . . . . . . . . . rr_1hfg 1
. 1 . 218 . 1 1 15 TYR H H 0.208 -7.977 5.930 . . . 1.0 . . . . . . . . . . . . A . 15 TYR H . . . . . . . . . rr_1hfg 1
. 1 . 219 . 1 1 15 TYR HA H 0.484 -5.993 3.750 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HA . . . . . . . . . rr_1hfg 1
. 1 . 220 . 1 1 15 TYR HB2 H -1.002 -5.698 6.369 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HB2 . . . . . . . . . rr_1hfg 1
. 1 . 221 . 1 1 15 TYR HB3 H -0.829 -4.447 5.139 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HB3 . . . . . . . . . rr_1hfg 1
. 1 . 222 . 1 1 15 TYR HD1 H -1.891 -4.703 2.918 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HD1 . . . . . . . . . rr_1hfg 1
. 1 . 223 . 1 1 15 TYR HD2 H -2.508 -7.568 6.057 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HD2 . . . . . . . . . rr_1hfg 1
. 1 . 224 . 1 1 15 TYR HE1 H -3.834 -5.626 1.690 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HE1 . . . . . . . . . rr_1hfg 1
. 1 . 225 . 1 1 15 TYR HE2 H -4.452 -8.496 4.826 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HE2 . . . . . . . . . rr_1hfg 1
. 1 . 226 . 1 1 15 TYR HH H -5.876 -6.901 2.172 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HH . . . . . . . . . rr_1hfg 1
. 1 . 227 . 1 1 15 TYR N N 0.323 -7.625 5.023 . . . 1.0 . . . . . . . . . . . . A . 15 TYR N . . . . . . . . . rr_1hfg 1
. 1 . 228 . 1 1 15 TYR O O 2.217 -6.216 6.371 . . . 1.0 . . . . . . . . . . . . A . 15 TYR O . . . . . . . . . rr_1hfg 1
. 1 . 229 . 1 1 15 TYR OH O -5.350 -7.637 2.493 . . . 1.0 . . . . . . . . . . . . A . 15 TYR OH . . . . . . . . . rr_1hfg 1
. 1 . 230 . 1 1 16 GLN C C 3.161 -3.989 7.248 . . . 1.0 . . . . . . . . . . . . A . 16 GLN C . . . . . . . . . rr_1hfg 1
. 1 . 231 . 1 1 16 GLN CA C 3.028 -3.632 5.773 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CA . . . . . . . . . rr_1hfg 1
. 1 . 232 . 1 1 16 GLN CB C 2.844 -2.118 5.646 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CB . . . . . . . . . rr_1hfg 1
. 1 . 233 . 1 1 16 GLN CD C 5.261 -2.002 5.036 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CD . . . . . . . . . rr_1hfg 1
. 1 . 234 . 1 1 16 GLN CG C 4.173 -1.415 5.929 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CG . . . . . . . . . rr_1hfg 1
. 1 . 235 . 1 1 16 GLN H H 1.358 -3.883 4.489 . . . 1.0 . . . . . . . . . . . . A . 16 GLN H . . . . . . . . . rr_1hfg 1
. 1 . 236 . 1 1 16 GLN HA H 3.931 -3.917 5.261 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HA . . . . . . . . . rr_1hfg 1
. 1 . 237 . 1 1 16 GLN HB2 H 2.515 -1.878 4.645 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB2 . . . . . . . . . rr_1hfg 1
. 1 . 238 . 1 1 16 GLN HB3 H 2.105 -1.784 6.358 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB3 . . . . . . . . . rr_1hfg 1
. 1 . 239 . 1 1 16 GLN HE21 H 6.432 -2.512 6.557 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE21 . . . . . . . . . rr_1hfg 1
. 1 . 240 . 1 1 16 GLN HE22 H 7.037 -2.890 5.016 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE22 . . . . . . . . . rr_1hfg 1
. 1 . 241 . 1 1 16 GLN HG2 H 4.072 -0.359 5.727 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG2 . . . . . . . . . rr_1hfg 1
. 1 . 242 . 1 1 16 GLN HG3 H 4.443 -1.560 6.965 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG3 . . . . . . . . . rr_1hfg 1
. 1 . 243 . 1 1 16 GLN N N 1.898 -4.335 5.171 . . . 1.0 . . . . . . . . . . . . A . 16 GLN N . . . . . . . . . rr_1hfg 1
. 1 . 244 . 1 1 16 GLN NE2 N 6.332 -2.510 5.582 . . . 1.0 . . . . . . . . . . . . A . 16 GLN NE2 . . . . . . . . . rr_1hfg 1
. 1 . 245 . 1 1 16 GLN O O 4.228 -4.398 7.709 . . . 1.0 . . . . . . . . . . . . A . 16 GLN O . . . . . . . . . rr_1hfg 1
. 1 . 246 . 1 1 16 GLN OE1 O 5.136 -2.000 3.812 . . . 1.0 . . . . . . . . . . . . A . 16 GLN OE1 . . . . . . . . . rr_1hfg 1
. 1 . 247 . 1 1 17 LYS C C 2.505 -2.894 10.211 . . . 1.0 . . . . . . . . . . . . A . 17 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 248 . 1 1 17 LYS CA C 2.051 -4.113 9.414 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 249 . 1 1 17 LYS CB C 2.969 -5.293 9.737 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 250 . 1 1 17 LYS CD C 3.426 -7.108 11.393 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 251 . 1 1 17 LYS CE C 2.706 -8.411 11.745 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 252 . 1 1 17 LYS CG C 2.404 -6.068 10.929 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 253 . 1 1 17 LYS H H 1.252 -3.482 7.551 . . . 1.0 . . . . . . . . . . . . A . 17 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 254 . 1 1 17 LYS HA H 1.043 -4.366 9.707 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 255 . 1 1 17 LYS HB2 H 3.032 -5.946 8.878 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 256 . 1 1 17 LYS HB3 H 3.954 -4.926 9.983 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 257 . 1 1 17 LYS HD2 H 4.138 -7.292 10.600 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 258 . 1 1 17 LYS HD3 H 3.945 -6.739 12.265 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 259 . 1 1 17 LYS HE2 H 2.381 -8.376 12.774 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 260 . 1 1 17 LYS HE3 H 1.847 -8.532 11.101 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 261 . 1 1 17 LYS HG2 H 2.195 -5.382 11.737 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 262 . 1 1 17 LYS HG3 H 1.494 -6.568 10.635 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 263 . 1 1 17 LYS HZ1 H 4.159 -9.439 10.665 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 264 . 1 1 17 LYS HZ2 H 4.306 -9.597 12.351 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 265 . 1 1 17 LYS HZ3 H 3.091 -10.444 11.517 . . . 1.0 . . . . . . . . . . . . A . 17 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 266 . 1 1 17 LYS N N 2.065 -3.818 7.981 . . . 1.0 . . . . . . . . . . . . A . 17 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 267 . 1 1 17 LYS NZ N 3.636 -9.560 11.555 . . . 1.0 . . . . . . . . . . . . A . 17 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 268 . 1 1 17 LYS O O 2.284 -2.805 11.419 . . . 1.0 . . . . . . . . . . . . A . 17 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 269 . 1 1 18 ARG C C 3.118 0.492 9.407 . . . 1.0 . . . . . . . . . . . . A . 18 ARG C . . . . . . . . . rr_1hfg 1
. 1 . 270 . 1 1 18 ARG CA C 3.620 -0.733 10.163 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CA . . . . . . . . . rr_1hfg 1
. 1 . 271 . 1 1 18 ARG CB C 5.149 -0.706 10.197 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CB . . . . . . . . . rr_1hfg 1
. 1 . 272 . 1 1 18 ARG CD C 7.194 -2.139 10.112 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CD . . . . . . . . . rr_1hfg 1
. 1 . 273 . 1 1 18 ARG CG C 5.684 -2.131 10.357 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CG . . . . . . . . . rr_1hfg 1
. 1 . 274 . 1 1 18 ARG CZ C 9.197 -2.424 11.459 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CZ . . . . . . . . . rr_1hfg 1
. 1 . 275 . 1 1 18 ARG H H 3.284 -2.074 8.557 . . . 1.0 . . . . . . . . . . . . A . 18 ARG H . . . . . . . . . rr_1hfg 1
. 1 . 276 . 1 1 18 ARG HA H 3.246 -0.700 11.176 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HA . . . . . . . . . rr_1hfg 1
. 1 . 277 . 1 1 18 ARG HB2 H 5.521 -0.283 9.275 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB2 . . . . . . . . . rr_1hfg 1
. 1 . 278 . 1 1 18 ARG HB3 H 5.481 -0.104 11.029 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB3 . . . . . . . . . rr_1hfg 1
. 1 . 279 . 1 1 18 ARG HD2 H 7.413 -2.755 9.254 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD2 . . . . . . . . . rr_1hfg 1
. 1 . 280 . 1 1 18 ARG HD3 H 7.528 -1.129 9.918 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD3 . . . . . . . . . rr_1hfg 1
. 1 . 281 . 1 1 18 ARG HE H 7.416 -3.213 11.929 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HE . . . . . . . . . rr_1hfg 1
. 1 . 282 . 1 1 18 ARG HG2 H 5.479 -2.481 11.358 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG2 . . . . . . . . . rr_1hfg 1
. 1 . 283 . 1 1 18 ARG HG3 H 5.202 -2.779 9.642 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG3 . . . . . . . . . rr_1hfg 1
. 1 . 284 . 1 1 18 ARG HH11 H 9.385 -1.330 9.792 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH11 . . . . . . . . . rr_1hfg 1
. 1 . 285 . 1 1 18 ARG HH12 H 10.827 -1.517 10.732 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH12 . . . . . . . . . rr_1hfg 1
. 1 . 286 . 1 1 18 ARG HH21 H 9.307 -3.462 13.167 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH21 . . . . . . . . . rr_1hfg 1
. 1 . 287 . 1 1 18 ARG HH22 H 10.783 -2.724 12.643 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH22 . . . . . . . . . rr_1hfg 1
. 1 . 288 . 1 1 18 ARG N N 3.140 -1.951 9.518 . . . 1.0 . . . . . . . . . . . . A . 18 ARG N . . . . . . . . . rr_1hfg 1
. 1 . 289 . 1 1 18 ARG NE N 7.902 -2.668 11.275 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NE . . . . . . . . . rr_1hfg 1
. 1 . 290 . 1 1 18 ARG NH1 N 9.854 -1.701 10.594 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH1 . . . . . . . . . rr_1hfg 1
. 1 . 291 . 1 1 18 ARG NH2 N 9.810 -2.908 12.504 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH2 . . . . . . . . . rr_1hfg 1
. 1 . 292 . 1 1 18 ARG O O 2.950 0.461 8.188 . . . 1.0 . . . . . . . . . . . . A . 18 ARG O . . . . . . . . . rr_1hfg 1
. 1 . 293 . 1 1 19 PRO C C 3.497 3.681 8.928 . . . 1.0 . . . . . . . . . . . . A . 19 PRO C . . . . . . . . . rr_1hfg 1
. 1 . 294 . 1 1 19 PRO CA C 2.380 2.833 9.533 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CA . . . . . . . . . rr_1hfg 1
. 1 . 295 . 1 1 19 PRO CB C 1.753 3.532 10.732 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CB . . . . . . . . . rr_1hfg 1
. 1 . 296 . 1 1 19 PRO CD C 3.067 1.629 11.590 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CD . . . . . . . . . rr_1hfg 1
. 1 . 297 . 1 1 19 PRO CG C 2.419 2.962 11.981 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CG . . . . . . . . . rr_1hfg 1
. 1 . 298 . 1 1 19 PRO HA H 1.622 2.630 8.799 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HA . . . . . . . . . rr_1hfg 1
. 1 . 299 . 1 1 19 PRO HB2 H 1.929 4.597 10.670 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HB2 . . . . . . . . . rr_1hfg 1
. 1 . 300 . 1 1 19 PRO HB3 H 0.693 3.333 10.763 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HB3 . . . . . . . . . rr_1hfg 1
. 1 . 301 . 1 1 19 PRO HD2 H 4.120 1.631 11.838 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HD2 . . . . . . . . . rr_1hfg 1
. 1 . 302 . 1 1 19 PRO HD3 H 2.561 0.803 12.063 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HD3 . . . . . . . . . rr_1hfg 1
. 1 . 303 . 1 1 19 PRO HG2 H 3.172 3.649 12.341 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HG2 . . . . . . . . . rr_1hfg 1
. 1 . 304 . 1 1 19 PRO HG3 H 1.678 2.792 12.747 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HG3 . . . . . . . . . rr_1hfg 1
. 1 . 305 . 1 1 19 PRO N N 2.872 1.580 10.130 . . . 1.0 . . . . . . . . . . . . A . 19 PRO N . . . . . . . . . rr_1hfg 1
. 1 . 306 . 1 1 19 PRO O O 4.388 4.157 9.632 . . . 1.0 . . . . . . . . . . . . A . 19 PRO O . . . . . . . . . rr_1hfg 1
. 1 . 307 . 1 1 20 LEU C C 3.992 6.116 6.820 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 308 . 1 1 20 LEU CA C 4.438 4.660 6.912 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 309 . 1 1 20 LEU CB C 4.661 4.120 5.498 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 310 . 1 1 20 LEU CD1 C 4.423 2.295 3.808 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 311 . 1 1 20 LEU CD2 C 5.028 1.741 6.166 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 312 . 1 1 20 LEU CG C 4.209 2.676 5.273 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 313 . 1 1 20 LEU H H 2.696 3.463 7.104 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 314 . 1 1 20 LEU HA H 5.368 4.610 7.457 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 315 . 1 1 20 LEU HB2 H 4.126 4.750 4.806 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 316 . 1 1 20 LEU HB3 H 5.717 4.190 5.273 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 317 . 1 1 20 LEU HD11 H 4.933 3.099 3.298 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 318 . 1 1 20 LEU HD12 H 5.021 1.397 3.752 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 319 . 1 1 20 LEU HD13 H 3.467 2.120 3.337 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 320 . 1 1 20 LEU HD21 H 5.844 2.292 6.611 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 321 . 1 1 20 LEU HD22 H 4.396 1.343 6.945 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 322 . 1 1 20 LEU HD23 H 5.423 0.931 5.572 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 323 . 1 1 20 LEU HG H 3.161 2.584 5.519 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 324 . 1 1 20 LEU N N 3.432 3.866 7.612 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 325 . 1 1 20 LEU O O 2.800 6.419 6.856 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 326 . 1 1 21 PRO C C 4.306 8.899 5.181 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . rr_1hfg 1
. 1 . 327 . 1 1 21 PRO CA C 4.674 8.469 6.599 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . rr_1hfg 1
. 1 . 328 . 1 1 21 PRO CB C 6.004 9.082 7.021 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . rr_1hfg 1
. 1 . 329 . 1 1 21 PRO CD C 6.385 6.673 6.655 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . rr_1hfg 1
. 1 . 330 . 1 1 21 PRO CG C 7.082 8.035 6.756 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . rr_1hfg 1
. 1 . 331 . 1 1 21 PRO HA H 3.906 8.758 7.296 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . rr_1hfg 1
. 1 . 332 . 1 1 21 PRO HB2 H 6.199 9.973 6.439 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . rr_1hfg 1
. 1 . 333 . 1 1 21 PRO HB3 H 5.982 9.324 8.072 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . rr_1hfg 1
. 1 . 334 . 1 1 21 PRO HD2 H 6.634 6.187 5.722 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . rr_1hfg 1
. 1 . 335 . 1 1 21 PRO HD3 H 6.642 6.048 7.496 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . rr_1hfg 1
. 1 . 336 . 1 1 21 PRO HG2 H 7.591 8.260 5.829 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . rr_1hfg 1
. 1 . 337 . 1 1 21 PRO HG3 H 7.789 8.021 7.571 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . rr_1hfg 1
. 1 . 338 . 1 1 21 PRO N N 4.954 7.027 6.699 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . rr_1hfg 1
. 1 . 339 . 1 1 21 PRO O O 4.965 8.523 4.212 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . rr_1hfg 1
. 1 . 340 . 1 1 22 GLN C C 3.731 11.275 3.255 . . . 1.0 . . . . . . . . . . . . A . 22 GLN C . . . . . . . . . rr_1hfg 1
. 1 . 341 . 1 1 22 GLN CA C 2.799 10.179 3.770 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CA . . . . . . . . . rr_1hfg 1
. 1 . 342 . 1 1 22 GLN CB C 1.380 10.741 3.868 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CB . . . . . . . . . rr_1hfg 1
. 1 . 343 . 1 1 22 GLN CD C 0.960 12.429 2.080 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CD . . . . . . . . . rr_1hfg 1
. 1 . 344 . 1 1 22 GLN CG C 0.818 10.960 2.462 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CG . . . . . . . . . rr_1hfg 1
. 1 . 345 . 1 1 22 GLN H H 2.762 9.966 5.881 . . . 1.0 . . . . . . . . . . . . A . 22 GLN H . . . . . . . . . rr_1hfg 1
. 1 . 346 . 1 1 22 GLN HA H 2.802 9.358 3.070 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HA . . . . . . . . . rr_1hfg 1
. 1 . 347 . 1 1 22 GLN HB2 H 0.753 10.042 4.403 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HB2 . . . . . . . . . rr_1hfg 1
. 1 . 348 . 1 1 22 GLN HB3 H 1.402 11.682 4.396 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HB3 . . . . . . . . . rr_1hfg 1
. 1 . 349 . 1 1 22 GLN HE21 H 1.326 12.044 0.168 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HE21 . . . . . . . . . rr_1hfg 1
. 1 . 350 . 1 1 22 GLN HE22 H 1.316 13.688 0.587 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HE22 . . . . . . . . . rr_1hfg 1
. 1 . 351 . 1 1 22 GLN HG2 H 1.363 10.349 1.757 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HG2 . . . . . . . . . rr_1hfg 1
. 1 . 352 . 1 1 22 GLN HG3 H -0.226 10.685 2.445 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HG3 . . . . . . . . . rr_1hfg 1
. 1 . 353 . 1 1 22 GLN N N 3.247 9.696 5.073 . . . 1.0 . . . . . . . . . . . . A . 22 GLN N . . . . . . . . . rr_1hfg 1
. 1 . 354 . 1 1 22 GLN NE2 N 1.223 12.747 0.842 . . . 1.0 . . . . . . . . . . . . A . 22 GLN NE2 . . . . . . . . . rr_1hfg 1
. 1 . 355 . 1 1 22 GLN O O 3.544 11.803 2.158 . . . 1.0 . . . . . . . . . . . . A . 22 GLN O . . . . . . . . . rr_1hfg 1
. 1 . 356 . 1 1 22 GLN OE1 O 0.830 13.313 2.928 . . . 1.0 . . . . . . . . . . . . A . 22 GLN OE1 . . . . . . . . . rr_1hfg 1
. 1 . 357 . 1 1 23 VAL C C 6.445 12.261 2.416 . . . 1.0 . . . . . . . . . . . . A . 23 VAL C . . . . . . . . . rr_1hfg 1
. 1 . 358 . 1 1 23 VAL CA C 5.690 12.651 3.685 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CA . . . . . . . . . rr_1hfg 1
. 1 . 359 . 1 1 23 VAL CB C 6.698 12.878 4.812 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CB . . . . . . . . . rr_1hfg 1
. 1 . 360 . 1 1 23 VAL CG1 C 7.371 11.552 5.170 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CG1 . . . . . . . . . rr_1hfg 1
. 1 . 361 . 1 1 23 VAL CG2 C 7.760 13.877 4.352 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CG2 . . . . . . . . . rr_1hfg 1
. 1 . 362 . 1 1 23 VAL H H 4.833 11.163 4.924 . . . 1.0 . . . . . . . . . . . . A . 23 VAL H . . . . . . . . . rr_1hfg 1
. 1 . 363 . 1 1 23 VAL HA H 5.156 13.571 3.506 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HA . . . . . . . . . rr_1hfg 1
. 1 . 364 . 1 1 23 VAL HB H 6.185 13.267 5.680 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HB . . . . . . . . . rr_1hfg 1
. 1 . 365 . 1 1 23 VAL HG11 H 6.788 10.734 4.773 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG11 . . . . . . . . . rr_1hfg 1
. 1 . 366 . 1 1 23 VAL HG12 H 8.364 11.526 4.746 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG12 . . . . . . . . . rr_1hfg 1
. 1 . 367 . 1 1 23 VAL HG13 H 7.436 11.460 6.244 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG13 . . . . . . . . . rr_1hfg 1
. 1 . 368 . 1 1 23 VAL HG21 H 8.251 13.499 3.468 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG21 . . . . . . . . . rr_1hfg 1
. 1 . 369 . 1 1 23 VAL HG22 H 7.290 14.823 4.128 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG22 . . . . . . . . . rr_1hfg 1
. 1 . 370 . 1 1 23 VAL HG23 H 8.489 14.014 5.138 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG23 . . . . . . . . . rr_1hfg 1
. 1 . 371 . 1 1 23 VAL N N 4.734 11.613 4.061 . . . 1.0 . . . . . . . . . . . . A . 23 VAL N . . . . . . . . . rr_1hfg 1
. 1 . 372 . 1 1 23 VAL O O 6.935 13.120 1.683 . . . 1.0 . . . . . . . . . . . . A . 23 VAL O . . . . . . . . . rr_1hfg 1
. 1 . 373 . 1 1 24 LEU C C 6.338 9.591 0.125 . . . 1.0 . . . . . . . . . . . . A . 24 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 374 . 1 1 24 LEU CA C 7.245 10.475 0.980 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 375 . 1 1 24 LEU CB C 8.493 9.682 1.381 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 376 . 1 1 24 LEU CD1 C 7.035 8.158 2.731 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 377 . 1 1 24 LEU CD2 C 7.994 7.371 0.562 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 378 . 1 1 24 LEU CG C 8.249 8.230 1.803 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 379 . 1 1 24 LEU H H 6.133 10.315 2.783 . . . 1.0 . . . . . . . . . . . . A . 24 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 380 . 1 1 24 LEU HA H 7.552 11.326 0.391 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 381 . 1 1 24 LEU HB2 H 9.172 9.676 0.544 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 382 . 1 1 24 LEU HB3 H 8.972 10.202 2.199 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 383 . 1 1 24 LEU HD11 H 7.129 8.906 3.504 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 384 . 1 1 24 LEU HD12 H 6.136 8.339 2.162 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 385 . 1 1 24 LEU HD13 H 6.984 7.178 3.182 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 386 . 1 1 24 LEU HD21 H 8.458 7.834 -0.297 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 387 . 1 1 24 LEU HD22 H 8.414 6.388 0.712 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 388 . 1 1 24 LEU HD23 H 6.930 7.287 0.395 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 389 . 1 1 24 LEU HG H 9.119 7.858 2.325 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 390 . 1 1 24 LEU N N 6.539 10.958 2.165 . . . 1.0 . . . . . . . . . . . . A . 24 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 391 . 1 1 24 LEU O O 6.754 9.075 -0.912 . . . 1.0 . . . . . . . . . . . . A . 24 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 392 . 1 1 25 LEU C C 3.537 9.399 -1.326 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 393 . 1 1 25 LEU CA C 4.141 8.602 -0.173 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 394 . 1 1 25 LEU CB C 3.018 8.129 0.748 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 395 . 1 1 25 LEU CD1 C 3.673 5.773 0.227 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 396 . 1 1 25 LEU CD2 C 1.695 6.230 1.681 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 397 . 1 1 25 LEU CG C 2.495 6.718 0.472 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 398 . 1 1 25 LEU H H 4.811 9.859 1.398 . . . 1.0 . . . . . . . . . . . . A . 25 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 399 . 1 1 25 LEU HA H 4.654 7.740 -0.572 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 400 . 1 1 25 LEU HB2 H 3.378 8.158 1.764 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 401 . 1 1 25 LEU HB3 H 2.194 8.824 0.661 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 402 . 1 1 25 LEU HD11 H 4.588 6.245 0.554 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 403 . 1 1 25 LEU HD12 H 3.521 4.858 0.781 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 404 . 1 1 25 LEU HD13 H 3.740 5.547 -0.827 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 405 . 1 1 25 LEU HD21 H 2.206 6.517 2.588 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 406 . 1 1 25 LEU HD22 H 0.712 6.676 1.665 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 407 . 1 1 25 LEU HD23 H 1.605 5.155 1.643 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 408 . 1 1 25 LEU HG H 1.859 6.734 -0.401 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 409 . 1 1 25 LEU N N 5.094 9.424 0.567 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 410 . 1 1 25 LEU O O 3.575 10.629 -1.336 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 411 . 1 1 26 SER C C 0.871 9.058 -3.491 . . . 1.0 . . . . . . . . . . . . A . 26 SER C . . . . . . . . . rr_1hfg 1
. 1 . 412 . 1 1 26 SER CA C 2.371 9.332 -3.455 . . . 1.0 . . . . . . . . . . . . A . 26 SER CA . . . . . . . . . rr_1hfg 1
. 1 . 413 . 1 1 26 SER CB C 3.001 8.820 -4.750 . . . 1.0 . . . . . . . . . . . . A . 26 SER CB . . . . . . . . . rr_1hfg 1
. 1 . 414 . 1 1 26 SER H H 2.981 7.704 -2.238 . . . 1.0 . . . . . . . . . . . . A . 26 SER H . . . . . . . . . rr_1hfg 1
. 1 . 415 . 1 1 26 SER HA H 2.532 10.397 -3.385 . . . 1.0 . . . . . . . . . . . . A . 26 SER HA . . . . . . . . . rr_1hfg 1
. 1 . 416 . 1 1 26 SER HB2 H 3.945 8.349 -4.532 . . . 1.0 . . . . . . . . . . . . A . 26 SER HB2 . . . . . . . . . rr_1hfg 1
. 1 . 417 . 1 1 26 SER HB3 H 2.339 8.098 -5.211 . . . 1.0 . . . . . . . . . . . . A . 26 SER HB3 . . . . . . . . . rr_1hfg 1
. 1 . 418 . 1 1 26 SER HG H 3.428 9.560 -6.498 . . . 1.0 . . . . . . . . . . . . A . 26 SER HG . . . . . . . . . rr_1hfg 1
. 1 . 419 . 1 1 26 SER N N 2.981 8.682 -2.298 . . . 1.0 . . . . . . . . . . . . A . 26 SER N . . . . . . . . . rr_1hfg 1
. 1 . 420 . 1 1 26 SER O O 0.056 9.944 -3.235 . . . 1.0 . . . . . . . . . . . . A . 26 SER O . . . . . . . . . rr_1hfg 1
. 1 . 421 . 1 1 26 SER OG O 3.217 9.914 -5.631 . . . 1.0 . . . . . . . . . . . . A . 26 SER OG . . . . . . . . . rr_1hfg 1
. 1 . 422 . 1 1 27 SER C C -1.058 5.970 -3.477 . . . 1.0 . . . . . . . . . . . . A . 27 SER C . . . . . . . . . rr_1hfg 1
. 1 . 423 . 1 1 27 SER CA C -0.890 7.430 -3.884 . . . 1.0 . . . . . . . . . . . . A . 27 SER CA . . . . . . . . . rr_1hfg 1
. 1 . 424 . 1 1 27 SER CB C -1.425 7.617 -5.303 . . . 1.0 . . . . . . . . . . . . A . 27 SER CB . . . . . . . . . rr_1hfg 1
. 1 . 425 . 1 1 27 SER H H 1.210 7.153 -4.009 . . . 1.0 . . . . . . . . . . . . A . 27 SER H . . . . . . . . . rr_1hfg 1
. 1 . 426 . 1 1 27 SER HA H -1.462 8.051 -3.211 . . . 1.0 . . . . . . . . . . . . A . 27 SER HA . . . . . . . . . rr_1hfg 1
. 1 . 427 . 1 1 27 SER HB2 H -1.651 6.656 -5.734 . . . 1.0 . . . . . . . . . . . . A . 27 SER HB2 . . . . . . . . . rr_1hfg 1
. 1 . 428 . 1 1 27 SER HB3 H -2.327 8.214 -5.271 . . . 1.0 . . . . . . . . . . . . A . 27 SER HB3 . . . . . . . . . rr_1hfg 1
. 1 . 429 . 1 1 27 SER HG H -0.825 8.453 -6.954 . . . 1.0 . . . . . . . . . . . . A . 27 SER HG . . . . . . . . . rr_1hfg 1
. 1 . 430 . 1 1 27 SER N N 0.516 7.817 -3.814 . . . 1.0 . . . . . . . . . . . . A . 27 SER N . . . . . . . . . rr_1hfg 1
. 1 . 431 . 1 1 27 SER O O -0.206 5.397 -2.798 . . . 1.0 . . . . . . . . . . . . A . 27 SER O . . . . . . . . . rr_1hfg 1
. 1 . 432 . 1 1 27 SER OG O -0.439 8.265 -6.096 . . . 1.0 . . . . . . . . . . . . A . 27 SER OG . . . . . . . . . rr_1hfg 1
. 1 . 433 . 1 1 28 TRP C C -3.442 3.389 -4.564 . . . 1.0 . . . . . . . . . . . . A . 28 TRP C . . . . . . . . . rr_1hfg 1
. 1 . 434 . 1 1 28 TRP CA C -2.446 3.979 -3.574 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CA . . . . . . . . . rr_1hfg 1
. 1 . 435 . 1 1 28 TRP CB C -3.025 3.864 -2.163 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CB . . . . . . . . . rr_1hfg 1
. 1 . 436 . 1 1 28 TRP CD1 C -4.107 6.101 -1.704 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CD1 . . . . . . . . . rr_1hfg 1
. 1 . 437 . 1 1 28 TRP CD2 C -5.607 4.505 -2.219 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CD2 . . . . . . . . . rr_1hfg 1
. 1 . 438 . 1 1 28 TRP CE2 C -6.340 5.693 -1.992 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CE2 . . . . . . . . . rr_1hfg 1
. 1 . 439 . 1 1 28 TRP CE3 C -6.321 3.341 -2.562 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CE3 . . . . . . . . . rr_1hfg 1
. 1 . 440 . 1 1 28 TRP CG C -4.191 4.791 -2.031 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CG . . . . . . . . . rr_1hfg 1
. 1 . 441 . 1 1 28 TRP CH2 C -8.424 4.562 -2.444 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CH2 . . . . . . . . . rr_1hfg 1
. 1 . 442 . 1 1 28 TRP CZ2 C -7.731 5.727 -2.102 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CZ2 . . . . . . . . . rr_1hfg 1
. 1 . 443 . 1 1 28 TRP CZ3 C -7.720 3.372 -2.673 . . . 1.0 . . . . . . . . . . . . A . 28 TRP CZ3 . . . . . . . . . rr_1hfg 1
. 1 . 444 . 1 1 28 TRP H H -2.813 5.881 -4.438 . . . 1.0 . . . . . . . . . . . . A . 28 TRP H . . . . . . . . . rr_1hfg 1
. 1 . 445 . 1 1 28 TRP HA H -1.525 3.416 -3.621 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HA . . . . . . . . . rr_1hfg 1
. 1 . 446 . 1 1 28 TRP HB2 H -3.350 2.848 -1.989 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HB2 . . . . . . . . . rr_1hfg 1
. 1 . 447 . 1 1 28 TRP HB3 H -2.270 4.129 -1.441 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HB3 . . . . . . . . . rr_1hfg 1
. 1 . 448 . 1 1 28 TRP HD1 H -3.194 6.639 -1.496 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HD1 . . . . . . . . . rr_1hfg 1
. 1 . 449 . 1 1 28 TRP HE1 H -5.598 7.572 -1.471 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HE1 . . . . . . . . . rr_1hfg 1
. 1 . 450 . 1 1 28 TRP HE3 H -5.789 2.417 -2.740 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HE3 . . . . . . . . . rr_1hfg 1
. 1 . 451 . 1 1 28 TRP HH2 H -9.500 4.580 -2.530 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HH2 . . . . . . . . . rr_1hfg 1
. 1 . 452 . 1 1 28 TRP HZ2 H -8.268 6.646 -1.926 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 453 . 1 1 28 TRP HZ3 H -8.258 2.473 -2.937 . . . 1.0 . . . . . . . . . . . . A . 28 TRP HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 454 . 1 1 28 TRP N N -2.170 5.375 -3.900 . . . 1.0 . . . . . . . . . . . . A . 28 TRP N . . . . . . . . . rr_1hfg 1
. 1 . 455 . 1 1 28 TRP NE1 N -5.381 6.638 -1.680 . . . 1.0 . . . . . . . . . . . . A . 28 TRP NE1 . . . . . . . . . rr_1hfg 1
. 1 . 456 . 1 1 28 TRP O O -4.407 4.043 -4.960 . . . 1.0 . . . . . . . . . . . . A . 28 TRP O . . . . . . . . . rr_1hfg 1
. 1 . 457 . 1 1 29 TYR C C -4.680 0.209 -5.265 . . . 1.0 . . . . . . . . . . . . A . 29 TYR C . . . . . . . . . rr_1hfg 1
. 1 . 458 . 1 1 29 TYR CA C -4.096 1.470 -5.896 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CA . . . . . . . . . rr_1hfg 1
. 1 . 459 . 1 1 29 TYR CB C -3.353 1.102 -7.186 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CB . . . . . . . . . rr_1hfg 1
. 1 . 460 . 1 1 29 TYR CD1 C -3.019 -1.393 -7.055 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CD1 . . . . . . . . . rr_1hfg 1
. 1 . 461 . 1 1 29 TYR CD2 C -1.119 0.059 -6.654 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CD2 . . . . . . . . . rr_1hfg 1
. 1 . 462 . 1 1 29 TYR CE1 C -2.206 -2.514 -6.851 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CE1 . . . . . . . . . rr_1hfg 1
. 1 . 463 . 1 1 29 TYR CE2 C -0.306 -1.062 -6.449 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CE2 . . . . . . . . . rr_1hfg 1
. 1 . 464 . 1 1 29 TYR CG C -2.476 -0.107 -6.956 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CG . . . . . . . . . rr_1hfg 1
. 1 . 465 . 1 1 29 TYR CZ C -0.849 -2.348 -6.548 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CZ . . . . . . . . . rr_1hfg 1
. 1 . 466 . 1 1 29 TYR H H -2.421 1.665 -4.602 . . . 1.0 . . . . . . . . . . . . A . 29 TYR H . . . . . . . . . rr_1hfg 1
. 1 . 467 . 1 1 29 TYR HA H -4.903 2.143 -6.143 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HA . . . . . . . . . rr_1hfg 1
. 1 . 468 . 1 1 29 TYR HB2 H -4.071 0.881 -7.961 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HB2 . . . . . . . . . rr_1hfg 1
. 1 . 469 . 1 1 29 TYR HB3 H -2.739 1.935 -7.495 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HB3 . . . . . . . . . rr_1hfg 1
. 1 . 470 . 1 1 29 TYR HD1 H -4.066 -1.521 -7.288 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HD1 . . . . . . . . . rr_1hfg 1
. 1 . 471 . 1 1 29 TYR HD2 H -0.700 1.051 -6.577 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HD2 . . . . . . . . . rr_1hfg 1
. 1 . 472 . 1 1 29 TYR HE1 H -2.625 -3.507 -6.927 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HE1 . . . . . . . . . rr_1hfg 1
. 1 . 473 . 1 1 29 TYR HE2 H 0.741 -0.934 -6.215 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HE2 . . . . . . . . . rr_1hfg 1
. 1 . 474 . 1 1 29 TYR HH H 0.341 -3.696 -7.192 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HH . . . . . . . . . rr_1hfg 1
. 1 . 475 . 1 1 29 TYR N N -3.203 2.141 -4.955 . . . 1.0 . . . . . . . . . . . . A . 29 TYR N . . . . . . . . . rr_1hfg 1
. 1 . 476 . 1 1 29 TYR O O -3.987 -0.529 -4.564 . . . 1.0 . . . . . . . . . . . . A . 29 TYR O . . . . . . . . . rr_1hfg 1
. 1 . 477 . 1 1 29 TYR OH O -0.047 -3.453 -6.348 . . . 1.0 . . . . . . . . . . . . A . 29 TYR OH . . . . . . . . . rr_1hfg 1
. 1 . 478 . 1 1 30 PRO C C -6.410 -2.489 -5.757 . . . 1.0 . . . . . . . . . . . . A . 30 PRO C . . . . . . . . . rr_1hfg 1
. 1 . 479 . 1 1 30 PRO CA C -6.661 -1.217 -4.951 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CA . . . . . . . . . rr_1hfg 1
. 1 . 480 . 1 1 30 PRO CB C -8.123 -0.797 -5.043 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CB . . . . . . . . . rr_1hfg 1
. 1 . 481 . 1 1 30 PRO CD C -6.808 0.832 -6.342 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CD . . . . . . . . . rr_1hfg 1
. 1 . 482 . 1 1 30 PRO CG C -8.215 0.261 -6.138 . . . 1.0 . . . . . . . . . . . . A . 30 PRO CG . . . . . . . . . rr_1hfg 1
. 1 . 483 . 1 1 30 PRO HA H -6.395 -1.364 -3.918 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HA . . . . . . . . . rr_1hfg 1
. 1 . 484 . 1 1 30 PRO HB2 H -8.735 -1.652 -5.299 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HB2 . . . . . . . . . rr_1hfg 1
. 1 . 485 . 1 1 30 PRO HB3 H -8.447 -0.377 -4.104 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HB3 . . . . . . . . . rr_1hfg 1
. 1 . 486 . 1 1 30 PRO HD2 H -6.518 0.765 -7.383 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HD2 . . . . . . . . . rr_1hfg 1
. 1 . 487 . 1 1 30 PRO HD3 H -6.754 1.851 -5.993 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HD3 . . . . . . . . . rr_1hfg 1
. 1 . 488 . 1 1 30 PRO HG2 H -8.569 -0.191 -7.055 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HG2 . . . . . . . . . rr_1hfg 1
. 1 . 489 . 1 1 30 PRO HG3 H -8.886 1.049 -5.833 . . . 1.0 . . . . . . . . . . . . A . 30 PRO HG3 . . . . . . . . . rr_1hfg 1
. 1 . 490 . 1 1 30 PRO N N -5.966 -0.041 -5.504 . . . 1.0 . . . . . . . . . . . . A . 30 PRO N . . . . . . . . . rr_1hfg 1
. 1 . 491 . 1 1 30 PRO O O -6.239 -2.447 -6.975 . . . 1.0 . . . . . . . . . . . . A . 30 PRO O . . . . . . . . . rr_1hfg 1
. 1 . 492 . 1 1 31 THR C C -7.491 -5.505 -6.172 . . . 1.0 . . . . . . . . . . . . A . 31 THR C . . . . . . . . . rr_1hfg 1
. 1 . 493 . 1 1 31 THR CA C -6.166 -4.906 -5.707 . . . 1.0 . . . . . . . . . . . . A . 31 THR CA . . . . . . . . . rr_1hfg 1
. 1 . 494 . 1 1 31 THR CB C -5.485 -5.878 -4.740 . . . 1.0 . . . . . . . . . . . . A . 31 THR CB . . . . . . . . . rr_1hfg 1
. 1 . 495 . 1 1 31 THR CG2 C -6.167 -5.799 -3.374 . . . 1.0 . . . . . . . . . . . . A . 31 THR CG2 . . . . . . . . . rr_1hfg 1
. 1 . 496 . 1 1 31 THR H H -6.538 -3.588 -4.088 . . . 1.0 . . . . . . . . . . . . A . 31 THR H . . . . . . . . . rr_1hfg 1
. 1 . 497 . 1 1 31 THR HA H -5.526 -4.759 -6.565 . . . 1.0 . . . . . . . . . . . . A . 31 THR HA . . . . . . . . . rr_1hfg 1
. 1 . 498 . 1 1 31 THR HB H -4.445 -5.610 -4.633 . . . 1.0 . . . . . . . . . . . . A . 31 THR HB . . . . . . . . . rr_1hfg 1
. 1 . 499 . 1 1 31 THR HG1 H -4.916 -7.312 -5.924 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG1 . . . . . . . . . rr_1hfg 1
. 1 . 500 . 1 1 31 THR HG21 H -7.114 -5.289 -3.474 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG21 . . . . . . . . . rr_1hfg 1
. 1 . 501 . 1 1 31 THR HG22 H -6.332 -6.797 -2.996 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG22 . . . . . . . . . rr_1hfg 1
. 1 . 502 . 1 1 31 THR HG23 H -5.535 -5.254 -2.688 . . . 1.0 . . . . . . . . . . . . A . 31 THR HG23 . . . . . . . . . rr_1hfg 1
. 1 . 503 . 1 1 31 THR N N -6.394 -3.619 -5.057 . . . 1.0 . . . . . . . . . . . . A . 31 THR N . . . . . . . . . rr_1hfg 1
. 1 . 504 . 1 1 31 THR O O -8.550 -4.895 -6.023 . . . 1.0 . . . . . . . . . . . . A . 31 THR O . . . . . . . . . rr_1hfg 1
. 1 . 505 . 1 1 31 THR OG1 O -5.584 -7.202 -5.244 . . . 1.0 . . . . . . . . . . . . A . 31 THR OG1 . . . . . . . . . rr_1hfg 1
. 1 . 506 . 1 1 32 SER C C -9.483 -7.838 -6.049 . . . 1.0 . . . . . . . . . . . . A . 32 SER C . . . . . . . . . rr_1hfg 1
. 1 . 507 . 1 1 32 SER CA C -8.619 -7.383 -7.220 . . . 1.0 . . . . . . . . . . . . A . 32 SER CA . . . . . . . . . rr_1hfg 1
. 1 . 508 . 1 1 32 SER CB C -8.243 -8.601 -8.065 . . . 1.0 . . . . . . . . . . . . A . 32 SER CB . . . . . . . . . rr_1hfg 1
. 1 . 509 . 1 1 32 SER H H -6.548 -7.145 -6.827 . . . 1.0 . . . . . . . . . . . . A . 32 SER H . . . . . . . . . rr_1hfg 1
. 1 . 510 . 1 1 32 SER HA H -9.187 -6.697 -7.830 . . . 1.0 . . . . . . . . . . . . A . 32 SER HA . . . . . . . . . rr_1hfg 1
. 1 . 511 . 1 1 32 SER HB2 H -7.241 -8.914 -7.823 . . . 1.0 . . . . . . . . . . . . A . 32 SER HB2 . . . . . . . . . rr_1hfg 1
. 1 . 512 . 1 1 32 SER HB3 H -8.931 -9.409 -7.855 . . . 1.0 . . . . . . . . . . . . A . 32 SER HB3 . . . . . . . . . rr_1hfg 1
. 1 . 513 . 1 1 32 SER HG H -8.205 -9.060 -9.955 . . . 1.0 . . . . . . . . . . . . A . 32 SER HG . . . . . . . . . rr_1hfg 1
. 1 . 514 . 1 1 32 SER N N -7.419 -6.706 -6.736 . . . 1.0 . . . . . . . . . . . . A . 32 SER N . . . . . . . . . rr_1hfg 1
. 1 . 515 . 1 1 32 SER O O -9.054 -7.812 -4.895 . . . 1.0 . . . . . . . . . . . . A . 32 SER O . . . . . . . . . rr_1hfg 1
. 1 . 516 . 1 1 32 SER OG O -8.305 -8.254 -9.442 . . . 1.0 . . . . . . . . . . . . A . 32 SER OG . . . . . . . . . rr_1hfg 1
. 1 . 517 . 1 1 33 GLN C C -11.668 -10.243 -5.283 . . . 1.0 . . . . . . . . . . . . A . 33 GLN C . . . . . . . . . rr_1hfg 1
. 1 . 518 . 1 1 33 GLN CA C -11.629 -8.717 -5.325 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CA . . . . . . . . . rr_1hfg 1
. 1 . 519 . 1 1 33 GLN CB C -13.040 -8.191 -5.594 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CB . . . . . . . . . rr_1hfg 1
. 1 . 520 . 1 1 33 GLN CD C -14.570 -6.520 -4.550 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CD . . . . . . . . . rr_1hfg 1
. 1 . 521 . 1 1 33 GLN CG C -13.667 -7.719 -4.281 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CG . . . . . . . . . rr_1hfg 1
. 1 . 522 . 1 1 33 GLN H H -10.993 -8.255 -7.296 . . . 1.0 . . . . . . . . . . . . A . 33 GLN H . . . . . . . . . rr_1hfg 1
. 1 . 523 . 1 1 33 GLN HA H -11.295 -8.348 -4.367 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HA . . . . . . . . . rr_1hfg 1
. 1 . 524 . 1 1 33 GLN HB2 H -12.989 -7.364 -6.288 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HB2 . . . . . . . . . rr_1hfg 1
. 1 . 525 . 1 1 33 GLN HB3 H -13.644 -8.979 -6.016 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HB3 . . . . . . . . . rr_1hfg 1
. 1 . 526 . 1 1 33 GLN HE21 H -14.477 -5.851 -2.683 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HE21 . . . . . . . . . rr_1hfg 1
. 1 . 527 . 1 1 33 GLN HE22 H -15.427 -4.923 -3.740 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HE22 . . . . . . . . . rr_1hfg 1
. 1 . 528 . 1 1 33 GLN HG2 H -14.251 -8.521 -3.852 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HG2 . . . . . . . . . rr_1hfg 1
. 1 . 529 . 1 1 33 GLN HG3 H -12.888 -7.432 -3.591 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HG3 . . . . . . . . . rr_1hfg 1
. 1 . 530 . 1 1 33 GLN N N -10.706 -8.256 -6.359 . . . 1.0 . . . . . . . . . . . . A . 33 GLN N . . . . . . . . . rr_1hfg 1
. 1 . 531 . 1 1 33 GLN NE2 N -14.848 -5.696 -3.577 . . . 1.0 . . . . . . . . . . . . A . 33 GLN NE2 . . . . . . . . . rr_1hfg 1
. 1 . 532 . 1 1 33 GLN O O -12.229 -10.837 -4.362 . . . 1.0 . . . . . . . . . . . . A . 33 GLN O . . . . . . . . . rr_1hfg 1
. 1 . 533 . 1 1 33 GLN OE1 O -15.036 -6.325 -5.673 . . . 1.0 . . . . . . . . . . . . A . 33 GLN OE1 . . . . . . . . . rr_1hfg 1
. 1 . 534 . 1 1 34 LEU C C -9.832 -12.877 -5.604 . . . 1.0 . . . . . . . . . . . . A . 34 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 535 . 1 1 34 LEU CA C -11.039 -12.329 -6.358 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 536 . 1 1 34 LEU CB C -10.973 -12.796 -7.813 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 537 . 1 1 34 LEU CD1 C -13.278 -11.844 -7.987 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 538 . 1 1 34 LEU CD2 C -11.406 -10.832 -9.295 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 539 . 1 1 34 LEU CG C -11.987 -12.140 -8.753 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 540 . 1 1 34 LEU H H -10.635 -10.347 -6.998 . . . 1.0 . . . . . . . . . . . . A . 34 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 541 . 1 1 34 LEU HA H -11.940 -12.717 -5.908 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 542 . 1 1 34 LEU HB2 H -9.984 -12.590 -8.191 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 543 . 1 1 34 LEU HB3 H -11.127 -13.866 -7.832 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 544 . 1 1 34 LEU HD11 H -13.501 -12.669 -7.326 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 545 . 1 1 34 LEU HD12 H -13.154 -10.941 -7.408 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 546 . 1 1 34 LEU HD13 H -14.090 -11.715 -8.687 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 547 . 1 1 34 LEU HD21 H -10.333 -10.922 -9.380 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 548 . 1 1 34 LEU HD22 H -11.828 -10.626 -10.267 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 549 . 1 1 34 LEU HD23 H -11.647 -10.024 -8.619 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 550 . 1 1 34 LEU HG H -12.201 -12.809 -9.574 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 551 . 1 1 34 LEU N N -11.066 -10.870 -6.290 . . . 1.0 . . . . . . . . . . . . A . 34 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 552 . 1 1 34 LEU O O -9.113 -13.744 -6.101 . . . 1.0 . . . . . . . . . . . . A . 34 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 553 . 1 1 35 CYS C C -8.986 -13.269 -2.209 . . . 1.0 . . . . . . . . . . . . A . 35 CYS C . . . . . . . . . rr_1hfg 1
. 1 . 554 . 1 1 35 CYS CA C -8.495 -12.809 -3.577 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CA . . . . . . . . . rr_1hfg 1
. 1 . 555 . 1 1 35 CYS CB C -7.484 -11.677 -3.387 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CB . . . . . . . . . rr_1hfg 1
. 1 . 556 . 1 1 35 CYS H H -10.225 -11.675 -4.051 . . . 1.0 . . . . . . . . . . . . A . 35 CYS H . . . . . . . . . rr_1hfg 1
. 1 . 557 . 1 1 35 CYS HA H -8.006 -13.635 -4.071 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HA . . . . . . . . . rr_1hfg 1
. 1 . 558 . 1 1 35 CYS HB2 H -7.813 -11.030 -2.587 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 559 . 1 1 35 CYS HB3 H -6.519 -12.095 -3.138 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 560 . 1 1 35 CYS N N -9.619 -12.363 -4.397 . . . 1.0 . . . . . . . . . . . . A . 35 CYS N . . . . . . . . . rr_1hfg 1
. 1 . 561 . 1 1 35 CYS O O -10.070 -12.894 -1.762 . . . 1.0 . . . . . . . . . . . . A . 35 CYS O . . . . . . . . . rr_1hfg 1
. 1 . 562 . 1 1 35 CYS SG S -7.349 -10.721 -4.918 . . . 1.0 . . . . . . . . . . . . A . 35 CYS SG . . . . . . . . . rr_1hfg 1
. 1 . 563 . 1 1 36 SER C C -8.578 -13.459 0.787 . . . 1.0 . . . . . . . . . . . . A . 36 SER C . . . . . . . . . rr_1hfg 1
. 1 . 564 . 1 1 36 SER CA C -8.531 -14.598 -0.226 . . . 1.0 . . . . . . . . . . . . A . 36 SER CA . . . . . . . . . rr_1hfg 1
. 1 . 565 . 1 1 36 SER CB C -7.513 -15.638 0.241 . . . 1.0 . . . . . . . . . . . . A . 36 SER CB . . . . . . . . . rr_1hfg 1
. 1 . 566 . 1 1 36 SER H H -7.321 -14.354 -1.952 . . . 1.0 . . . . . . . . . . . . A . 36 SER H . . . . . . . . . rr_1hfg 1
. 1 . 567 . 1 1 36 SER HA H -9.505 -15.061 -0.280 . . . 1.0 . . . . . . . . . . . . A . 36 SER HA . . . . . . . . . rr_1hfg 1
. 1 . 568 . 1 1 36 SER HB2 H -6.757 -15.770 -0.516 . . . 1.0 . . . . . . . . . . . . A . 36 SER HB2 . . . . . . . . . rr_1hfg 1
. 1 . 569 . 1 1 36 SER HB3 H -7.048 -15.299 1.157 . . . 1.0 . . . . . . . . . . . . A . 36 SER HB3 . . . . . . . . . rr_1hfg 1
. 1 . 570 . 1 1 36 SER HG H -7.556 -17.583 0.264 . . . 1.0 . . . . . . . . . . . . A . 36 SER HG . . . . . . . . . rr_1hfg 1
. 1 . 571 . 1 1 36 SER N N -8.173 -14.089 -1.547 . . . 1.0 . . . . . . . . . . . . A . 36 SER N . . . . . . . . . rr_1hfg 1
. 1 . 572 . 1 1 36 SER O O -9.272 -13.537 1.801 . . . 1.0 . . . . . . . . . . . . A . 36 SER O . . . . . . . . . rr_1hfg 1
. 1 . 573 . 1 1 36 SER OG O -8.175 -16.877 0.461 . . . 1.0 . . . . . . . . . . . . A . 36 SER OG . . . . . . . . . rr_1hfg 1
. 1 . 574 . 1 1 37 LYS C C -7.063 -10.079 0.720 . . . 1.0 . . . . . . . . . . . . A . 37 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 575 . 1 1 37 LYS CA C -7.789 -11.241 1.391 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 576 . 1 1 37 LYS CB C -7.069 -11.593 2.694 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 577 . 1 1 37 LYS CD C -5.456 -13.298 3.551 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 578 . 1 1 37 LYS CE C -4.084 -12.926 4.115 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 579 . 1 1 37 LYS CG C -5.793 -12.376 2.378 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 580 . 1 1 37 LYS H H -7.297 -12.391 -0.323 . . . 1.0 . . . . . . . . . . . . A . 37 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 581 . 1 1 37 LYS HA H -8.799 -10.938 1.620 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 582 . 1 1 37 LYS HB2 H -6.814 -10.685 3.220 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 583 . 1 1 37 LYS HB3 H -7.716 -12.198 3.311 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 584 . 1 1 37 LYS HD2 H -6.205 -13.189 4.321 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 585 . 1 1 37 LYS HD3 H -5.436 -14.322 3.210 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 586 . 1 1 37 LYS HE2 H -3.337 -13.024 3.342 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 587 . 1 1 37 LYS HE3 H -4.105 -11.905 4.468 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 588 . 1 1 37 LYS HG2 H -5.945 -12.967 1.486 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 589 . 1 1 37 LYS HG3 H -4.977 -11.687 2.218 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 590 . 1 1 37 LYS HZ1 H -4.621 -14.259 5.622 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 591 . 1 1 37 LYS HZ2 H -3.116 -14.589 4.912 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 592 . 1 1 37 LYS HZ3 H -3.275 -13.292 5.999 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 593 . 1 1 37 LYS N N -7.830 -12.397 0.500 . . . 1.0 . . . . . . . . . . . . A . 37 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 594 . 1 1 37 LYS NZ N -3.749 -13.835 5.248 . . . 1.0 . . . . . . . . . . . . A . 37 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 595 . 1 1 37 LYS O O -5.938 -9.737 1.084 . . . 1.0 . . . . . . . . . . . . A . 37 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 596 . 1 1 38 PRO C C -7.301 -7.002 -0.278 . . . 1.0 . . . . . . . . . . . . A . 38 PRO C . . . . . . . . . rr_1hfg 1
. 1 . 597 . 1 1 38 PRO CA C -7.132 -8.331 -1.011 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CA . . . . . . . . . rr_1hfg 1
. 1 . 598 . 1 1 38 PRO CB C -7.944 -8.347 -2.299 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CB . . . . . . . . . rr_1hfg 1
. 1 . 599 . 1 1 38 PRO CD C -9.055 -9.871 -0.712 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CD . . . . . . . . . rr_1hfg 1
. 1 . 600 . 1 1 38 PRO CG C -9.264 -9.047 -1.987 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CG . . . . . . . . . rr_1hfg 1
. 1 . 601 . 1 1 38 PRO HA H -6.094 -8.512 -1.237 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HA . . . . . . . . . rr_1hfg 1
. 1 . 602 . 1 1 38 PRO HB2 H -8.130 -7.334 -2.629 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HB2 . . . . . . . . . rr_1hfg 1
. 1 . 603 . 1 1 38 PRO HB3 H -7.415 -8.894 -3.064 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HB3 . . . . . . . . . rr_1hfg 1
. 1 . 604 . 1 1 38 PRO HD2 H -9.798 -9.615 0.032 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HD2 . . . . . . . . . rr_1hfg 1
. 1 . 605 . 1 1 38 PRO HD3 H -9.077 -10.927 -0.930 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HD3 . . . . . . . . . rr_1hfg 1
. 1 . 606 . 1 1 38 PRO HG2 H -10.040 -8.311 -1.830 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HG2 . . . . . . . . . rr_1hfg 1
. 1 . 607 . 1 1 38 PRO HG3 H -9.535 -9.701 -2.801 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HG3 . . . . . . . . . rr_1hfg 1
. 1 . 608 . 1 1 38 PRO N N -7.707 -9.467 -0.270 . . . 1.0 . . . . . . . . . . . . A . 38 PRO N . . . . . . . . . rr_1hfg 1
. 1 . 609 . 1 1 38 PRO O O -8.340 -6.737 0.326 . . . 1.0 . . . . . . . . . . . . A . 38 PRO O . . . . . . . . . rr_1hfg 1
. 1 . 610 . 1 1 39 GLY C C -5.968 -3.755 -0.674 . . . 1.0 . . . . . . . . . . . . A . 39 GLY C . . . . . . . . . rr_1hfg 1
. 1 . 611 . 1 1 39 GLY CA C -6.304 -4.866 0.315 . . . 1.0 . . . . . . . . . . . . A . 39 GLY CA . . . . . . . . . rr_1hfg 1
. 1 . 612 . 1 1 39 GLY H H -5.464 -6.435 -0.841 . . . 1.0 . . . . . . . . . . . . A . 39 GLY H . . . . . . . . . rr_1hfg 1
. 1 . 613 . 1 1 39 GLY HA2 H -5.585 -4.852 1.120 . . . 1.0 . . . . . . . . . . . . A . 39 GLY HA2 . . . . . . . . . rr_1hfg 1
. 1 . 614 . 1 1 39 GLY HA3 H -7.294 -4.700 0.717 . . . 1.0 . . . . . . . . . . . . A . 39 GLY HA3 . . . . . . . . . rr_1hfg 1
. 1 . 615 . 1 1 39 GLY N N -6.266 -6.170 -0.343 . . . 1.0 . . . . . . . . . . . . A . 39 GLY N . . . . . . . . . rr_1hfg 1
. 1 . 616 . 1 1 39 GLY O O -6.662 -3.563 -1.672 . . . 1.0 . . . . . . . . . . . . A . 39 GLY O . . . . . . . . . rr_1hfg 1
. 1 . 617 . 1 1 40 VAL C C -2.976 -1.677 -1.106 . . . 1.0 . . . . . . . . . . . . A . 40 VAL C . . . . . . . . . rr_1hfg 1
. 1 . 618 . 1 1 40 VAL CA C -4.470 -1.937 -1.260 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CA . . . . . . . . . rr_1hfg 1
. 1 . 619 . 1 1 40 VAL CB C -5.228 -0.652 -0.928 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CB . . . . . . . . . rr_1hfg 1
. 1 . 620 . 1 1 40 VAL CG1 C -4.858 0.433 -1.939 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CG1 . . . . . . . . . rr_1hfg 1
. 1 . 621 . 1 1 40 VAL CG2 C -6.732 -0.917 -0.995 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CG2 . . . . . . . . . rr_1hfg 1
. 1 . 622 . 1 1 40 VAL H H -4.376 -3.227 0.422 . . . 1.0 . . . . . . . . . . . . A . 40 VAL H . . . . . . . . . rr_1hfg 1
. 1 . 623 . 1 1 40 VAL HA H -4.675 -2.209 -2.285 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HA . . . . . . . . . rr_1hfg 1
. 1 . 624 . 1 1 40 VAL HB H -4.962 -0.323 0.066 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HB . . . . . . . . . rr_1hfg 1
. 1 . 625 . 1 1 40 VAL HG11 H -3.933 0.167 -2.429 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG11 . . . . . . . . . rr_1hfg 1
. 1 . 626 . 1 1 40 VAL HG12 H -5.643 0.521 -2.676 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG12 . . . . . . . . . rr_1hfg 1
. 1 . 627 . 1 1 40 VAL HG13 H -4.738 1.376 -1.428 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG13 . . . . . . . . . rr_1hfg 1
. 1 . 628 . 1 1 40 VAL HG21 H -6.990 -1.277 -1.980 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG21 . . . . . . . . . rr_1hfg 1
. 1 . 629 . 1 1 40 VAL HG22 H -7.000 -1.660 -0.258 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG22 . . . . . . . . . rr_1hfg 1
. 1 . 630 . 1 1 40 VAL HG23 H -7.268 -0.001 -0.794 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG23 . . . . . . . . . rr_1hfg 1
. 1 . 631 . 1 1 40 VAL N N -4.893 -3.027 -0.386 . . . 1.0 . . . . . . . . . . . . A . 40 VAL N . . . . . . . . . rr_1hfg 1
. 1 . 632 . 1 1 40 VAL O O -2.447 -1.643 0.005 . . . 1.0 . . . . . . . . . . . . A . 40 VAL O . . . . . . . . . rr_1hfg 1
. 1 . 633 . 1 1 41 ILE C C -0.604 0.269 -2.371 . . . 1.0 . . . . . . . . . . . . A . 41 ILE C . . . . . . . . . rr_1hfg 1
. 1 . 634 . 1 1 41 ILE CA C -0.868 -1.227 -2.223 . . . 1.0 . . . . . . . . . . . . A . 41 ILE CA . . . . . . . . . rr_1hfg 1
. 1 . 635 . 1 1 41 ILE CB C -0.179 -1.977 -3.365 . . . 1.0 . . . . . . . . . . . . A . 41 ILE CB . . . . . . . . . rr_1hfg 1
. 1 . 636 . 1 1 41 ILE CD1 C -1.454 -4.123 -3.490 . . . 1.0 . . . . . . . . . . . . A . 41 ILE CD1 . . . . . . . . . rr_1hfg 1
. 1 . 637 . 1 1 41 ILE CG1 C -0.145 -3.472 -3.039 . . . 1.0 . . . . . . . . . . . . A . 41 ILE CG1 . . . . . . . . . rr_1hfg 1
. 1 . 638 . 1 1 41 ILE CG2 C 1.252 -1.462 -3.536 . . . 1.0 . . . . . . . . . . . . A . 41 ILE CG2 . . . . . . . . . rr_1hfg 1
. 1 . 639 . 1 1 41 ILE H H -2.779 -1.524 -3.092 . . . 1.0 . . . . . . . . . . . . A . 41 ILE H . . . . . . . . . rr_1hfg 1
. 1 . 640 . 1 1 41 ILE HA H -0.458 -1.565 -1.283 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HA . . . . . . . . . rr_1hfg 1
. 1 . 641 . 1 1 41 ILE HB H -0.730 -1.820 -4.279 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HB . . . . . . . . . rr_1hfg 1
. 1 . 642 . 1 1 41 ILE HD11 H -2.179 -3.355 -3.715 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HD11 . . . . . . . . . rr_1hfg 1
. 1 . 643 . 1 1 41 ILE HD12 H -1.274 -4.719 -4.373 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HD12 . . . . . . . . . rr_1hfg 1
. 1 . 644 . 1 1 41 ILE HD13 H -1.832 -4.755 -2.700 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HD13 . . . . . . . . . rr_1hfg 1
. 1 . 645 . 1 1 41 ILE HG12 H 0.685 -3.934 -3.555 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HG12 . . . . . . . . . rr_1hfg 1
. 1 . 646 . 1 1 41 ILE HG13 H -0.027 -3.606 -1.975 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HG13 . . . . . . . . . rr_1hfg 1
. 1 . 647 . 1 1 41 ILE HG21 H 1.618 -1.093 -2.590 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HG21 . . . . . . . . . rr_1hfg 1
. 1 . 648 . 1 1 41 ILE HG22 H 1.886 -2.267 -3.879 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HG22 . . . . . . . . . rr_1hfg 1
. 1 . 649 . 1 1 41 ILE HG23 H 1.262 -0.663 -4.263 . . . 1.0 . . . . . . . . . . . . A . 41 ILE HG23 . . . . . . . . . rr_1hfg 1
. 1 . 650 . 1 1 41 ILE N N -2.303 -1.489 -2.236 . . . 1.0 . . . . . . . . . . . . A . 41 ILE N . . . . . . . . . rr_1hfg 1
. 1 . 651 . 1 1 41 ILE O O -1.313 0.972 -3.090 . . . 1.0 . . . . . . . . . . . . A . 41 ILE O . . . . . . . . . rr_1hfg 1
. 1 . 652 . 1 1 42 PHE C C 2.071 2.351 -2.528 . . . 1.0 . . . . . . . . . . . . A . 42 PHE C . . . . . . . . . rr_1hfg 1
. 1 . 653 . 1 1 42 PHE CA C 0.781 2.160 -1.737 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CA . . . . . . . . . rr_1hfg 1
. 1 . 654 . 1 1 42 PHE CB C 0.980 2.720 -0.328 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CB . . . . . . . . . rr_1hfg 1
. 1 . 655 . 1 1 42 PHE CD1 C -1.183 2.053 0.779 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CD1 . . . . . . . . . rr_1hfg 1
. 1 . 656 . 1 1 42 PHE CD2 C -0.776 4.401 0.332 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CD2 . . . . . . . . . rr_1hfg 1
. 1 . 657 . 1 1 42 PHE CE1 C -2.424 2.375 1.341 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CE1 . . . . . . . . . rr_1hfg 1
. 1 . 658 . 1 1 42 PHE CE2 C -2.018 4.723 0.893 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CE2 . . . . . . . . . rr_1hfg 1
. 1 . 659 . 1 1 42 PHE CG C -0.359 3.066 0.275 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CG . . . . . . . . . rr_1hfg 1
. 1 . 660 . 1 1 42 PHE CZ C -2.842 3.710 1.397 . . . 1.0 . . . . . . . . . . . . A . 42 PHE CZ . . . . . . . . . rr_1hfg 1
. 1 . 661 . 1 1 42 PHE H H 0.956 0.138 -1.123 . . . 1.0 . . . . . . . . . . . . A . 42 PHE H . . . . . . . . . rr_1hfg 1
. 1 . 662 . 1 1 42 PHE HA H -0.016 2.703 -2.224 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HA . . . . . . . . . rr_1hfg 1
. 1 . 663 . 1 1 42 PHE HB2 H 1.471 1.981 0.287 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HB2 . . . . . . . . . rr_1hfg 1
. 1 . 664 . 1 1 42 PHE HB3 H 1.591 3.609 -0.378 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HB3 . . . . . . . . . rr_1hfg 1
. 1 . 665 . 1 1 42 PHE HD1 H -0.861 1.023 0.735 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HD1 . . . . . . . . . rr_1hfg 1
. 1 . 666 . 1 1 42 PHE HD2 H -0.140 5.183 -0.057 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HD2 . . . . . . . . . rr_1hfg 1
. 1 . 667 . 1 1 42 PHE HE1 H -3.060 1.593 1.730 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HE1 . . . . . . . . . rr_1hfg 1
. 1 . 668 . 1 1 42 PHE HE2 H -2.340 5.752 0.936 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HE2 . . . . . . . . . rr_1hfg 1
. 1 . 669 . 1 1 42 PHE HZ H -3.799 3.958 1.831 . . . 1.0 . . . . . . . . . . . . A . 42 PHE HZ . . . . . . . . . rr_1hfg 1
. 1 . 670 . 1 1 42 PHE N N 0.427 0.745 -1.680 . . . 1.0 . . . . . . . . . . . . A . 42 PHE N . . . . . . . . . rr_1hfg 1
. 1 . 671 . 1 1 42 PHE O O 3.097 1.744 -2.223 . . . 1.0 . . . . . . . . . . . . A . 42 PHE O . . . . . . . . . rr_1hfg 1
. 1 . 672 . 1 1 43 LEU C C 3.845 4.774 -3.946 . . . 1.0 . . . . . . . . . . . . A . 43 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 673 . 1 1 43 LEU CA C 3.180 3.470 -4.374 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 674 . 1 1 43 LEU CB C 2.783 3.573 -5.847 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 675 . 1 1 43 LEU CD1 C 0.336 3.245 -6.236 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 676 . 1 1 43 LEU CD2 C 1.999 2.144 -7.740 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 677 . 1 1 43 LEU CG C 1.712 2.579 -6.302 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 678 . 1 1 43 LEU H H 1.163 3.661 -3.741 . . . 1.0 . . . . . . . . . . . . A . 43 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 679 . 1 1 43 LEU HA H 3.885 2.661 -4.257 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 680 . 1 1 43 LEU HB2 H 2.415 4.570 -6.031 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 681 . 1 1 43 LEU HB3 H 3.670 3.422 -6.448 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 682 . 1 1 43 LEU HD11 H 0.455 4.319 -6.248 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 683 . 1 1 43 LEU HD12 H -0.253 2.939 -7.089 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 684 . 1 1 43 LEU HD13 H -0.165 2.948 -5.327 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 685 . 1 1 43 LEU HD21 H 2.055 3.016 -8.376 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 686 . 1 1 43 LEU HD22 H 2.938 1.611 -7.775 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 687 . 1 1 43 LEU HD23 H 1.205 1.498 -8.086 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 688 . 1 1 43 LEU HG H 1.724 1.715 -5.652 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 689 . 1 1 43 LEU N N 2.008 3.203 -3.546 . . . 1.0 . . . . . . . . . . . . A . 43 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 690 . 1 1 43 LEU O O 3.442 5.859 -4.363 . . . 1.0 . . . . . . . . . . . . A . 43 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 691 . 1 1 44 THR C C 6.024 6.700 -3.801 . . . 1.0 . . . . . . . . . . . . A . 44 THR C . . . . . . . . . rr_1hfg 1
. 1 . 692 . 1 1 44 THR CA C 5.586 5.833 -2.626 . . . 1.0 . . . . . . . . . . . . A . 44 THR CA . . . . . . . . . rr_1hfg 1
. 1 . 693 . 1 1 44 THR CB C 6.821 5.421 -1.823 . . . 1.0 . . . . . . . . . . . . A . 44 THR CB . . . . . . . . . rr_1hfg 1
. 1 . 694 . 1 1 44 THR CG2 C 6.406 4.475 -0.694 . . . 1.0 . . . . . . . . . . . . A . 44 THR CG2 . . . . . . . . . rr_1hfg 1
. 1 . 695 . 1 1 44 THR H H 5.150 3.764 -2.806 . . . 1.0 . . . . . . . . . . . . A . 44 THR H . . . . . . . . . rr_1hfg 1
. 1 . 696 . 1 1 44 THR HA H 4.930 6.408 -1.989 . . . 1.0 . . . . . . . . . . . . A . 44 THR HA . . . . . . . . . rr_1hfg 1
. 1 . 697 . 1 1 44 THR HB H 7.285 6.298 -1.399 . . . 1.0 . . . . . . . . . . . . A . 44 THR HB . . . . . . . . . rr_1hfg 1
. 1 . 698 . 1 1 44 THR HG1 H 7.269 4.068 -3.146 . . . 1.0 . . . . . . . . . . . . A . 44 THR HG1 . . . . . . . . . rr_1hfg 1
. 1 . 699 . 1 1 44 THR HG21 H 5.473 3.995 -0.952 . . . 1.0 . . . . . . . . . . . . A . 44 THR HG21 . . . . . . . . . rr_1hfg 1
. 1 . 700 . 1 1 44 THR HG22 H 7.170 3.725 -0.554 . . . 1.0 . . . . . . . . . . . . A . 44 THR HG22 . . . . . . . . . rr_1hfg 1
. 1 . 701 . 1 1 44 THR HG23 H 6.281 5.038 0.219 . . . 1.0 . . . . . . . . . . . . A . 44 THR HG23 . . . . . . . . . rr_1hfg 1
. 1 . 702 . 1 1 44 THR N N 4.870 4.655 -3.106 . . . 1.0 . . . . . . . . . . . . A . 44 THR N . . . . . . . . . rr_1hfg 1
. 1 . 703 . 1 1 44 THR O O 6.084 6.242 -4.942 . . . 1.0 . . . . . . . . . . . . A . 44 THR O . . . . . . . . . rr_1hfg 1
. 1 . 704 . 1 1 44 THR OG1 O 7.741 4.763 -2.681 . . . 1.0 . . . . . . . . . . . . A . 44 THR OG1 . . . . . . . . . rr_1hfg 1
. 1 . 705 . 1 1 45 LYS C C 7.952 8.322 -5.311 . . . 1.0 . . . . . . . . . . . . A . 45 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 706 . 1 1 45 LYS CA C 6.759 8.890 -4.548 . . . 1.0 . . . . . . . . . . . . A . 45 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 707 . 1 1 45 LYS CB C 7.154 10.234 -3.935 . . . 1.0 . . . . . . . . . . . . A . 45 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 708 . 1 1 45 LYS CD C 6.313 11.842 -2.216 . . . 1.0 . . . . . . . . . . . . A . 45 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 709 . 1 1 45 LYS CE C 6.998 13.092 -2.773 . . . 1.0 . . . . . . . . . . . . A . 45 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 710 . 1 1 45 LYS CG C 5.910 10.924 -3.371 . . . 1.0 . . . . . . . . . . . . A . 45 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 711 . 1 1 45 LYS H H 6.261 8.271 -2.581 . . . 1.0 . . . . . . . . . . . . A . 45 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 712 . 1 1 45 LYS HA H 5.944 9.047 -5.238 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 713 . 1 1 45 LYS HB2 H 7.867 10.071 -3.140 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 714 . 1 1 45 LYS HB3 H 7.597 10.861 -4.694 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 715 . 1 1 45 LYS HD2 H 5.432 12.130 -1.660 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 716 . 1 1 45 LYS HD3 H 6.997 11.321 -1.563 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 717 . 1 1 45 LYS HE2 H 8.014 12.854 -3.048 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 718 . 1 1 45 LYS HE3 H 6.461 13.439 -3.643 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 719 . 1 1 45 LYS HG2 H 5.439 11.508 -4.149 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 720 . 1 1 45 LYS HG3 H 5.217 10.178 -3.010 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 721 . 1 1 45 LYS HZ1 H 6.021 14.384 -1.464 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 722 . 1 1 45 LYS HZ2 H 7.525 13.831 -0.898 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 723 . 1 1 45 LYS HZ3 H 7.460 15.012 -2.113 . . . 1.0 . . . . . . . . . . . . A . 45 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 724 . 1 1 45 LYS N N 6.328 7.961 -3.508 . . . 1.0 . . . . . . . . . . . . A . 45 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 725 . 1 1 45 LYS NZ N 7.001 14.160 -1.734 . . . 1.0 . . . . . . . . . . . . A . 45 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 726 . 1 1 45 LYS O O 7.929 8.216 -6.537 . . . 1.0 . . . . . . . . . . . . A . 45 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 727 . 1 1 46 ARG C C 10.677 6.167 -4.452 . . . 1.0 . . . . . . . . . . . . A . 46 ARG C . . . . . . . . . rr_1hfg 1
. 1 . 728 . 1 1 46 ARG CA C 10.203 7.418 -5.188 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CA . . . . . . . . . rr_1hfg 1
. 1 . 729 . 1 1 46 ARG CB C 11.326 8.453 -5.163 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CB . . . . . . . . . rr_1hfg 1
. 1 . 730 . 1 1 46 ARG CD C 13.574 8.988 -6.113 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CD . . . . . . . . . rr_1hfg 1
. 1 . 731 . 1 1 46 ARG CG C 12.580 7.865 -5.812 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CG . . . . . . . . . rr_1hfg 1
. 1 . 732 . 1 1 46 ARG CZ C 15.808 9.248 -7.032 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CZ . . . . . . . . . rr_1hfg 1
. 1 . 733 . 1 1 46 ARG H H 8.963 8.081 -3.598 . . . 1.0 . . . . . . . . . . . . A . 46 ARG H . . . . . . . . . rr_1hfg 1
. 1 . 734 . 1 1 46 ARG HA H 9.988 7.162 -6.215 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HA . . . . . . . . . rr_1hfg 1
. 1 . 735 . 1 1 46 ARG HB2 H 11.016 9.334 -5.706 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HB2 . . . . . . . . . rr_1hfg 1
. 1 . 736 . 1 1 46 ARG HB3 H 11.543 8.718 -4.139 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HB3 . . . . . . . . . rr_1hfg 1
. 1 . 737 . 1 1 46 ARG HD2 H 13.122 9.691 -6.796 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HD2 . . . . . . . . . rr_1hfg 1
. 1 . 738 . 1 1 46 ARG HD3 H 13.823 9.498 -5.193 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HD3 . . . . . . . . . rr_1hfg 1
. 1 . 739 . 1 1 46 ARG HE H 14.861 7.489 -6.887 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HE . . . . . . . . . rr_1hfg 1
. 1 . 740 . 1 1 46 ARG HG2 H 13.034 7.153 -5.139 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HG2 . . . . . . . . . rr_1hfg 1
. 1 . 741 . 1 1 46 ARG HG3 H 12.311 7.370 -6.733 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HG3 . . . . . . . . . rr_1hfg 1
. 1 . 742 . 1 1 46 ARG HH11 H 14.900 10.915 -6.395 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH11 . . . . . . . . . rr_1hfg 1
. 1 . 743 . 1 1 46 ARG HH12 H 16.491 11.130 -7.045 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH12 . . . . . . . . . rr_1hfg 1
. 1 . 744 . 1 1 46 ARG HH21 H 16.949 7.764 -7.742 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH21 . . . . . . . . . rr_1hfg 1
. 1 . 745 . 1 1 46 ARG HH22 H 17.651 9.347 -7.808 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH22 . . . . . . . . . rr_1hfg 1
. 1 . 746 . 1 1 46 ARG N N 8.998 7.967 -4.571 . . . 1.0 . . . . . . . . . . . . A . 46 ARG N . . . . . . . . . rr_1hfg 1
. 1 . 747 . 1 1 46 ARG NE N 14.792 8.451 -6.714 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NE . . . . . . . . . rr_1hfg 1
. 1 . 748 . 1 1 46 ARG NH1 N 15.727 10.531 -6.806 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NH1 . . . . . . . . . rr_1hfg 1
. 1 . 749 . 1 1 46 ARG NH2 N 16.887 8.747 -7.569 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NH2 . . . . . . . . . rr_1hfg 1
. 1 . 750 . 1 1 46 ARG O O 11.690 5.567 -4.813 . . . 1.0 . . . . . . . . . . . . A . 46 ARG O . . . . . . . . . rr_1hfg 1
. 1 . 751 . 1 1 47 GLY C C 9.909 3.325 -3.366 . . . 1.0 . . . . . . . . . . . . A . 47 GLY C . . . . . . . . . rr_1hfg 1
. 1 . 752 . 1 1 47 GLY CA C 10.307 4.601 -2.638 . . . 1.0 . . . . . . . . . . . . A . 47 GLY CA . . . . . . . . . rr_1hfg 1
. 1 . 753 . 1 1 47 GLY H H 9.146 6.291 -3.165 . . . 1.0 . . . . . . . . . . . . A . 47 GLY H . . . . . . . . . rr_1hfg 1
. 1 . 754 . 1 1 47 GLY HA2 H 9.802 4.634 -1.684 . . . 1.0 . . . . . . . . . . . . A . 47 GLY HA2 . . . . . . . . . rr_1hfg 1
. 1 . 755 . 1 1 47 GLY HA3 H 11.375 4.601 -2.475 . . . 1.0 . . . . . . . . . . . . A . 47 GLY HA3 . . . . . . . . . rr_1hfg 1
. 1 . 756 . 1 1 47 GLY N N 9.941 5.779 -3.414 . . . 1.0 . . . . . . . . . . . . A . 47 GLY N . . . . . . . . . rr_1hfg 1
. 1 . 757 . 1 1 47 GLY O O 10.488 2.969 -4.393 . . . 1.0 . . . . . . . . . . . . A . 47 GLY O . . . . . . . . . rr_1hfg 1
. 1 . 758 . 1 1 48 ARG C C 6.960 1.176 -3.104 . . . 1.0 . . . . . . . . . . . . A . 48 ARG C . . . . . . . . . rr_1hfg 1
. 1 . 759 . 1 1 48 ARG CA C 8.437 1.393 -3.419 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CA . . . . . . . . . rr_1hfg 1
. 1 . 760 . 1 1 48 ARG CB C 9.242 0.205 -2.887 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CB . . . . . . . . . rr_1hfg 1
. 1 . 761 . 1 1 48 ARG CD C 11.203 -1.281 -3.321 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CD . . . . . . . . . rr_1hfg 1
. 1 . 762 . 1 1 48 ARG CG C 10.464 -0.024 -3.779 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CG . . . . . . . . . rr_1hfg 1
. 1 . 763 . 1 1 48 ARG CZ C 12.008 -3.357 -4.294 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CZ . . . . . . . . . rr_1hfg 1
. 1 . 764 . 1 1 48 ARG H H 8.490 2.974 -2.001 . . . 1.0 . . . . . . . . . . . . A . 48 ARG H . . . . . . . . . rr_1hfg 1
. 1 . 765 . 1 1 48 ARG HA H 8.564 1.449 -4.489 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HA . . . . . . . . . rr_1hfg 1
. 1 . 766 . 1 1 48 ARG HB2 H 9.567 0.413 -1.878 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HB2 . . . . . . . . . rr_1hfg 1
. 1 . 767 . 1 1 48 ARG HB3 H 8.625 -0.680 -2.891 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HB3 . . . . . . . . . rr_1hfg 1
. 1 . 768 . 1 1 48 ARG HD2 H 12.214 -1.021 -3.048 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HD2 . . . . . . . . . rr_1hfg 1
. 1 . 769 . 1 1 48 ARG HD3 H 10.699 -1.696 -2.459 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HD3 . . . . . . . . . rr_1hfg 1
. 1 . 770 . 1 1 48 ARG HE H 10.684 -2.148 -5.187 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HE . . . . . . . . . rr_1hfg 1
. 1 . 771 . 1 1 48 ARG HG2 H 10.143 -0.147 -4.804 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HG2 . . . . . . . . . rr_1hfg 1
. 1 . 772 . 1 1 48 ARG HG3 H 11.126 0.826 -3.709 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HG3 . . . . . . . . . rr_1hfg 1
. 1 . 773 . 1 1 48 ARG HH11 H 12.738 -2.867 -2.495 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH11 . . . . . . . . . rr_1hfg 1
. 1 . 774 . 1 1 48 ARG HH12 H 13.329 -4.351 -3.164 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH12 . . . . . . . . . rr_1hfg 1
. 1 . 775 . 1 1 48 ARG HH21 H 11.455 -4.095 -6.071 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH21 . . . . . . . . . rr_1hfg 1
. 1 . 776 . 1 1 48 ARG HH22 H 12.603 -5.046 -5.189 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH22 . . . . . . . . . rr_1hfg 1
. 1 . 777 . 1 1 48 ARG N N 8.913 2.638 -2.819 . . . 1.0 . . . . . . . . . . . . A . 48 ARG N . . . . . . . . . rr_1hfg 1
. 1 . 778 . 1 1 48 ARG NE N 11.237 -2.277 -4.388 . . . 1.0 . . . . . . . . . . . . A . 48 ARG NE . . . . . . . . . rr_1hfg 1
. 1 . 779 . 1 1 48 ARG NH1 N 12.749 -3.539 -3.235 . . . 1.0 . . . . . . . . . . . . A . 48 ARG NH1 . . . . . . . . . rr_1hfg 1
. 1 . 780 . 1 1 48 ARG NH2 N 12.023 -4.234 -5.260 . . . 1.0 . . . . . . . . . . . . A . 48 ARG NH2 . . . . . . . . . rr_1hfg 1
. 1 . 781 . 1 1 48 ARG O O 6.291 2.052 -2.557 . . . 1.0 . . . . . . . . . . . . A . 48 ARG O . . . . . . . . . rr_1hfg 1
. 1 . 782 . 1 1 49 GLN C C 4.911 -0.930 -1.796 . . . 1.0 . . . . . . . . . . . . A . 49 GLN C . . . . . . . . . rr_1hfg 1
. 1 . 783 . 1 1 49 GLN CA C 5.065 -0.343 -3.195 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CA . . . . . . . . . rr_1hfg 1
. 1 . 784 . 1 1 49 GLN CB C 4.561 -1.360 -4.221 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CB . . . . . . . . . rr_1hfg 1
. 1 . 785 . 1 1 49 GLN CD C 4.507 -1.238 -6.712 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CD . . . . . . . . . rr_1hfg 1
. 1 . 786 . 1 1 49 GLN CG C 3.970 -0.623 -5.425 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CG . . . . . . . . . rr_1hfg 1
. 1 . 787 . 1 1 49 GLN H H 7.046 -0.670 -3.879 . . . 1.0 . . . . . . . . . . . . A . 49 GLN H . . . . . . . . . rr_1hfg 1
. 1 . 788 . 1 1 49 GLN HA H 4.470 0.554 -3.270 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HA . . . . . . . . . rr_1hfg 1
. 1 . 789 . 1 1 49 GLN HB2 H 5.383 -1.981 -4.546 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HB2 . . . . . . . . . rr_1hfg 1
. 1 . 790 . 1 1 49 GLN HB3 H 3.799 -1.978 -3.771 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HB3 . . . . . . . . . rr_1hfg 1
. 1 . 791 . 1 1 49 GLN HE21 H 4.545 0.489 -7.690 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HE21 . . . . . . . . . rr_1hfg 1
. 1 . 792 . 1 1 49 GLN HE22 H 5.071 -0.858 -8.578 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HE22 . . . . . . . . . rr_1hfg 1
. 1 . 793 . 1 1 49 GLN HG2 H 2.893 -0.708 -5.406 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HG2 . . . . . . . . . rr_1hfg 1
. 1 . 794 . 1 1 49 GLN HG3 H 4.250 0.419 -5.382 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HG3 . . . . . . . . . rr_1hfg 1
. 1 . 795 . 1 1 49 GLN N N 6.463 -0.009 -3.450 . . . 1.0 . . . . . . . . . . . . A . 49 GLN N . . . . . . . . . rr_1hfg 1
. 1 . 796 . 1 1 49 GLN NE2 N 4.726 -0.472 -7.746 . . . 1.0 . . . . . . . . . . . . A . 49 GLN NE2 . . . . . . . . . rr_1hfg 1
. 1 . 797 . 1 1 49 GLN O O 5.823 -1.572 -1.274 . . . 1.0 . . . . . . . . . . . . A . 49 GLN O . . . . . . . . . rr_1hfg 1
. 1 . 798 . 1 1 49 GLN OE1 O 4.734 -2.446 -6.783 . . . 1.0 . . . . . . . . . . . . A . 49 GLN OE1 . . . . . . . . . rr_1hfg 1
. 1 . 799 . 1 1 50 VAL C C 2.054 -1.716 0.272 . . . 1.0 . . . . . . . . . . . . A . 50 VAL C . . . . . . . . . rr_1hfg 1
. 1 . 800 . 1 1 50 VAL CA C 3.490 -1.215 0.153 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CA . . . . . . . . . rr_1hfg 1
. 1 . 801 . 1 1 50 VAL CB C 3.724 -0.121 1.197 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CB . . . . . . . . . rr_1hfg 1
. 1 . 802 . 1 1 50 VAL CG1 C 3.226 -0.599 2.562 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CG1 . . . . . . . . . rr_1hfg 1
. 1 . 803 . 1 1 50 VAL CG2 C 5.220 0.189 1.282 . . . 1.0 . . . . . . . . . . . . A . 50 VAL CG2 . . . . . . . . . rr_1hfg 1
. 1 . 804 . 1 1 50 VAL H H 3.056 -0.183 -1.652 . . . 1.0 . . . . . . . . . . . . A . 50 VAL H . . . . . . . . . rr_1hfg 1
. 1 . 805 . 1 1 50 VAL HA H 4.164 -2.034 0.351 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HA . . . . . . . . . rr_1hfg 1
. 1 . 806 . 1 1 50 VAL HB H 3.185 0.771 0.910 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HB . . . . . . . . . rr_1hfg 1
. 1 . 807 . 1 1 50 VAL HG11 H 3.230 -1.679 2.589 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG11 . . . . . . . . . rr_1hfg 1
. 1 . 808 . 1 1 50 VAL HG12 H 3.876 -0.218 3.336 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG12 . . . . . . . . . rr_1hfg 1
. 1 . 809 . 1 1 50 VAL HG13 H 2.222 -0.238 2.726 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG13 . . . . . . . . . rr_1hfg 1
. 1 . 810 . 1 1 50 VAL HG21 H 5.637 0.226 0.287 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG21 . . . . . . . . . rr_1hfg 1
. 1 . 811 . 1 1 50 VAL HG22 H 5.363 1.143 1.769 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG22 . . . . . . . . . rr_1hfg 1
. 1 . 812 . 1 1 50 VAL HG23 H 5.715 -0.584 1.852 . . . 1.0 . . . . . . . . . . . . A . 50 VAL HG23 . . . . . . . . . rr_1hfg 1
. 1 . 813 . 1 1 50 VAL N N 3.748 -0.703 -1.191 . . . 1.0 . . . . . . . . . . . . A . 50 VAL N . . . . . . . . . rr_1hfg 1
. 1 . 814 . 1 1 50 VAL O O 1.100 -0.945 0.168 . . . 1.0 . . . . . . . . . . . . A . 50 VAL O . . . . . . . . . rr_1hfg 1
. 1 . 815 . 1 1 51 CYS C C -0.004 -3.273 1.999 . . . 1.0 . . . . . . . . . . . . A . 51 CYS C . . . . . . . . . rr_1hfg 1
. 1 . 816 . 1 1 51 CYS CA C 0.591 -3.621 0.638 . . . 1.0 . . . . . . . . . . . . A . 51 CYS CA . . . . . . . . . rr_1hfg 1
. 1 . 817 . 1 1 51 CYS CB C 0.681 -5.142 0.503 . . . 1.0 . . . . . . . . . . . . A . 51 CYS CB . . . . . . . . . rr_1hfg 1
. 1 . 818 . 1 1 51 CYS H H 2.711 -3.583 0.576 . . . 1.0 . . . . . . . . . . . . A . 51 CYS H . . . . . . . . . rr_1hfg 1
. 1 . 819 . 1 1 51 CYS HA H -0.055 -3.237 -0.138 . . . 1.0 . . . . . . . . . . . . A . 51 CYS HA . . . . . . . . . rr_1hfg 1
. 1 . 820 . 1 1 51 CYS HB2 H 1.354 -5.530 1.253 . . . 1.0 . . . . . . . . . . . . A . 51 CYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 821 . 1 1 51 CYS HB3 H -0.298 -5.575 0.639 . . . 1.0 . . . . . . . . . . . . A . 51 CYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 822 . 1 1 51 CYS N N 1.913 -3.019 0.498 . . . 1.0 . . . . . . . . . . . . A . 51 CYS N . . . . . . . . . rr_1hfg 1
. 1 . 823 . 1 1 51 CYS O O 0.639 -3.448 3.034 . . . 1.0 . . . . . . . . . . . . A . 51 CYS O . . . . . . . . . rr_1hfg 1
. 1 . 824 . 1 1 51 CYS SG S 1.306 -5.563 -1.144 . . . 1.0 . . . . . . . . . . . . A . 51 CYS SG . . . . . . . . . rr_1hfg 1
. 1 . 825 . 1 1 52 ALA C C -3.404 -2.650 3.140 . . . 1.0 . . . . . . . . . . . . A . 52 ALA C . . . . . . . . . rr_1hfg 1
. 1 . 826 . 1 1 52 ALA CA C -1.903 -2.398 3.234 . . . 1.0 . . . . . . . . . . . . A . 52 ALA CA . . . . . . . . . rr_1hfg 1
. 1 . 827 . 1 1 52 ALA CB C -1.668 -0.918 3.541 . . . 1.0 . . . . . . . . . . . . A . 52 ALA CB . . . . . . . . . rr_1hfg 1
. 1 . 828 . 1 1 52 ALA H H -1.704 -2.649 1.135 . . . 1.0 . . . . . . . . . . . . A . 52 ALA H . . . . . . . . . rr_1hfg 1
. 1 . 829 . 1 1 52 ALA HA H -1.497 -2.989 4.040 . . . 1.0 . . . . . . . . . . . . A . 52 ALA HA . . . . . . . . . rr_1hfg 1
. 1 . 830 . 1 1 52 ALA HB1 H -0.855 -0.550 2.934 . . . 1.0 . . . . . . . . . . . . A . 52 ALA HB1 . . . . . . . . . rr_1hfg 1
. 1 . 831 . 1 1 52 ALA HB2 H -2.565 -0.359 3.320 . . . 1.0 . . . . . . . . . . . . A . 52 ALA HB2 . . . . . . . . . rr_1hfg 1
. 1 . 832 . 1 1 52 ALA HB3 H -1.419 -0.803 4.586 . . . 1.0 . . . . . . . . . . . . A . 52 ALA HB3 . . . . . . . . . rr_1hfg 1
. 1 . 833 . 1 1 52 ALA N N -1.237 -2.772 1.989 . . . 1.0 . . . . . . . . . . . . A . 52 ALA N . . . . . . . . . rr_1hfg 1
. 1 . 834 . 1 1 52 ALA O O -3.960 -2.793 2.051 . . . 1.0 . . . . . . . . . . . . A . 52 ALA O . . . . . . . . . rr_1hfg 1
. 1 . 835 . 1 1 53 ASP C C -6.209 -1.700 4.895 . . . 1.0 . . . . . . . . . . . . A . 53 ASP C . . . . . . . . . rr_1hfg 1
. 1 . 836 . 1 1 53 ASP CA C -5.494 -2.932 4.351 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CA . . . . . . . . . rr_1hfg 1
. 1 . 837 . 1 1 53 ASP CB C -5.816 -4.127 5.249 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CB . . . . . . . . . rr_1hfg 1
. 1 . 838 . 1 1 53 ASP CG C -6.077 -5.358 4.388 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CG . . . . . . . . . rr_1hfg 1
. 1 . 839 . 1 1 53 ASP H H -3.556 -2.576 5.136 . . . 1.0 . . . . . . . . . . . . A . 53 ASP H . . . . . . . . . rr_1hfg 1
. 1 . 840 . 1 1 53 ASP HA H -5.852 -3.136 3.353 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HA . . . . . . . . . rr_1hfg 1
. 1 . 841 . 1 1 53 ASP HB2 H -4.981 -4.318 5.908 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HB2 . . . . . . . . . rr_1hfg 1
. 1 . 842 . 1 1 53 ASP HB3 H -6.695 -3.909 5.837 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HB3 . . . . . . . . . rr_1hfg 1
. 1 . 843 . 1 1 53 ASP N N -4.053 -2.700 4.301 . . . 1.0 . . . . . . . . . . . . A . 53 ASP N . . . . . . . . . rr_1hfg 1
. 1 . 844 . 1 1 53 ASP O O -5.996 -1.295 6.037 . . . 1.0 . . . . . . . . . . . . A . 53 ASP O . . . . . . . . . rr_1hfg 1
. 1 . 845 . 1 1 53 ASP OD1 O -6.104 -5.215 3.177 . . . 1.0 . . . . . . . . . . . . A . 53 ASP OD1 . . . . . . . . . rr_1hfg 1
. 1 . 846 . 1 1 53 ASP OD2 O -6.245 -6.426 4.953 . . . 1.0 . . . . . . . . . . . . A . 53 ASP OD2 . . . . . . . . . rr_1hfg 1
. 1 . 847 . 1 1 54 LYS C C -8.359 -0.107 5.884 . . . 1.0 . . . . . . . . . . . . A . 54 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 848 . 1 1 54 LYS CA C -7.807 0.077 4.474 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 849 . 1 1 54 LYS CB C -8.969 0.340 3.513 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 850 . 1 1 54 LYS CD C -10.740 -0.760 2.135 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 851 . 1 1 54 LYS CE C -12.163 -0.825 2.692 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 852 . 1 1 54 LYS CG C -9.737 -0.962 3.272 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 853 . 1 1 54 LYS H H -7.193 -1.476 3.164 . . . 1.0 . . . . . . . . . . . . A . 54 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 854 . 1 1 54 LYS HA H -7.144 0.929 4.464 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 855 . 1 1 54 LYS HB2 H -9.632 1.076 3.944 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 856 . 1 1 54 LYS HB3 H -8.584 0.707 2.574 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 857 . 1 1 54 LYS HD2 H -10.575 0.204 1.676 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 858 . 1 1 54 LYS HD3 H -10.609 -1.538 1.397 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 859 . 1 1 54 LYS HE2 H -12.166 -1.398 3.607 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 860 . 1 1 54 LYS HE3 H -12.517 0.176 2.893 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 861 . 1 1 54 LYS HG2 H -9.042 -1.745 3.006 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 862 . 1 1 54 LYS HG3 H -10.266 -1.240 4.171 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 863 . 1 1 54 LYS HZ1 H -13.014 -0.954 0.796 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 864 . 1 1 54 LYS HZ2 H -12.750 -2.458 1.541 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 865 . 1 1 54 LYS HZ3 H -14.035 -1.474 2.050 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 866 . 1 1 54 LYS N N -7.062 -1.109 4.064 . . . 1.0 . . . . . . . . . . . . A . 54 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 867 . 1 1 54 LYS NZ N -13.058 -1.477 1.695 . . . 1.0 . . . . . . . . . . . . A . 54 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 868 . 1 1 54 LYS O O -8.572 0.860 6.615 . . . 1.0 . . . . . . . . . . . . A . 54 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 869 . 1 1 55 SER C C -8.214 -1.078 8.662 . . . 1.0 . . . . . . . . . . . . A . 55 SER C . . . . . . . . . rr_1hfg 1
. 1 . 870 . 1 1 55 SER CA C -9.113 -1.672 7.583 . . . 1.0 . . . . . . . . . . . . A . 55 SER CA . . . . . . . . . rr_1hfg 1
. 1 . 871 . 1 1 55 SER CB C -9.203 -3.184 7.786 . . . 1.0 . . . . . . . . . . . . A . 55 SER CB . . . . . . . . . rr_1hfg 1
. 1 . 872 . 1 1 55 SER H H -8.397 -2.094 5.631 . . . 1.0 . . . . . . . . . . . . A . 55 SER H . . . . . . . . . rr_1hfg 1
. 1 . 873 . 1 1 55 SER HA H -10.102 -1.247 7.676 . . . 1.0 . . . . . . . . . . . . A . 55 SER HA . . . . . . . . . rr_1hfg 1
. 1 . 874 . 1 1 55 SER HB2 H -8.787 -3.690 6.930 . . . 1.0 . . . . . . . . . . . . A . 55 SER HB2 . . . . . . . . . rr_1hfg 1
. 1 . 875 . 1 1 55 SER HB3 H -8.645 -3.461 8.671 . . . 1.0 . . . . . . . . . . . . A . 55 SER HB3 . . . . . . . . . rr_1hfg 1
. 1 . 876 . 1 1 55 SER HG H -10.619 -4.515 7.876 . . . 1.0 . . . . . . . . . . . . A . 55 SER HG . . . . . . . . . rr_1hfg 1
. 1 . 877 . 1 1 55 SER N N -8.587 -1.364 6.256 . . . 1.0 . . . . . . . . . . . . A . 55 SER N . . . . . . . . . rr_1hfg 1
. 1 . 878 . 1 1 55 SER O O -8.688 -0.616 9.701 . . . 1.0 . . . . . . . . . . . . A . 55 SER O . . . . . . . . . rr_1hfg 1
. 1 . 879 . 1 1 55 SER OG O -10.566 -3.558 7.933 . . . 1.0 . . . . . . . . . . . . A . 55 SER OG . . . . . . . . . rr_1hfg 1
. 1 . 880 . 1 1 56 LYS C C -6.335 0.866 9.756 . . . 1.0 . . . . . . . . . . . . A . 56 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 881 . 1 1 56 LYS CA C -5.947 -0.555 9.360 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 882 . 1 1 56 LYS CB C -4.541 -0.539 8.755 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 883 . 1 1 56 LYS CD C -3.143 -2.480 9.478 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 884 . 1 1 56 LYS CE C -3.155 -4.010 9.488 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 885 . 1 1 56 LYS CG C -4.116 -1.969 8.414 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 886 . 1 1 56 LYS H H -6.589 -1.476 7.560 . . . 1.0 . . . . . . . . . . . . A . 56 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 887 . 1 1 56 LYS HA H -5.941 -1.176 10.243 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 888 . 1 1 56 LYS HB2 H -4.543 0.061 7.857 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 889 . 1 1 56 LYS HB3 H -3.847 -0.120 9.468 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 890 . 1 1 56 LYS HD2 H -2.146 -2.129 9.252 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 891 . 1 1 56 LYS HD3 H -3.444 -2.113 10.447 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 892 . 1 1 56 LYS HE2 H -4.109 -4.360 9.854 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 893 . 1 1 56 LYS HE3 H -2.997 -4.378 8.485 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 894 . 1 1 56 LYS HG2 H -4.988 -2.606 8.386 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 895 . 1 1 56 LYS HG3 H -3.631 -1.980 7.450 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 896 . 1 1 56 LYS HZ1 H -2.082 -3.979 11.273 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 897 . 1 1 56 LYS HZ2 H -2.214 -5.520 10.570 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 898 . 1 1 56 LYS HZ3 H -1.149 -4.377 9.910 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 899 . 1 1 56 LYS N N -6.909 -1.095 8.404 . . . 1.0 . . . . . . . . . . . . A . 56 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 900 . 1 1 56 LYS NZ N -2.068 -4.509 10.377 . . . 1.0 . . . . . . . . . . . . A . 56 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 901 . 1 1 56 LYS O O -7.430 1.335 9.445 . . . 1.0 . . . . . . . . . . . . A . 56 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 902 . 1 1 57 ASP C C -4.888 3.906 10.038 . . . 1.0 . . . . . . . . . . . . A . 57 ASP C . . . . . . . . . rr_1hfg 1
. 1 . 903 . 1 1 57 ASP CA C -5.683 2.916 10.882 . . . 1.0 . . . . . . . . . . . . A . 57 ASP CA . . . . . . . . . rr_1hfg 1
. 1 . 904 . 1 1 57 ASP CB C -5.299 3.093 12.352 . . . 1.0 . . . . . . . . . . . . A . 57 ASP CB . . . . . . . . . rr_1hfg 1
. 1 . 905 . 1 1 57 ASP CG C -6.391 2.504 13.238 . . . 1.0 . . . . . . . . . . . . A . 57 ASP CG . . . . . . . . . rr_1hfg 1
. 1 . 906 . 1 1 57 ASP H H -4.569 1.123 10.667 . . . 1.0 . . . . . . . . . . . . A . 57 ASP H . . . . . . . . . rr_1hfg 1
. 1 . 907 . 1 1 57 ASP HA H -6.736 3.126 10.768 . . . 1.0 . . . . . . . . . . . . A . 57 ASP HA . . . . . . . . . rr_1hfg 1
. 1 . 908 . 1 1 57 ASP HB2 H -4.365 2.584 12.544 . . . 1.0 . . . . . . . . . . . . A . 57 ASP HB2 . . . . . . . . . rr_1hfg 1
. 1 . 909 . 1 1 57 ASP HB3 H -5.188 4.144 12.571 . . . 1.0 . . . . . . . . . . . . A . 57 ASP HB3 . . . . . . . . . rr_1hfg 1
. 1 . 910 . 1 1 57 ASP N N -5.424 1.547 10.446 . . . 1.0 . . . . . . . . . . . . A . 57 ASP N . . . . . . . . . rr_1hfg 1
. 1 . 911 . 1 1 57 ASP O O -5.446 4.845 9.468 . . . 1.0 . . . . . . . . . . . . A . 57 ASP O . . . . . . . . . rr_1hfg 1
. 1 . 912 . 1 1 57 ASP OD1 O -6.860 1.422 12.927 . . . 1.0 . . . . . . . . . . . . A . 57 ASP OD1 . . . . . . . . . rr_1hfg 1
. 1 . 913 . 1 1 57 ASP OD2 O -6.743 3.144 14.215 . . . 1.0 . . . . . . . . . . . . A . 57 ASP OD2 . . . . . . . . . rr_1hfg 1
. 1 . 914 . 1 1 58 TRP C C -3.014 4.417 7.695 . . . 1.0 . . . . . . . . . . . . A . 58 TRP C . . . . . . . . . rr_1hfg 1
. 1 . 915 . 1 1 58 TRP CA C -2.718 4.571 9.182 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CA . . . . . . . . . rr_1hfg 1
. 1 . 916 . 1 1 58 TRP CB C -1.243 4.257 9.438 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CB . . . . . . . . . rr_1hfg 1
. 1 . 917 . 1 1 58 TRP CD1 C -1.128 1.788 9.969 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CD1 . . . . . . . . . rr_1hfg 1
. 1 . 918 . 1 1 58 TRP CD2 C -0.471 2.252 7.868 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CD2 . . . . . . . . . rr_1hfg 1
. 1 . 919 . 1 1 58 TRP CE2 C -0.353 0.851 8.031 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CE2 . . . . . . . . . rr_1hfg 1
. 1 . 920 . 1 1 58 TRP CE3 C -0.117 2.807 6.626 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CE3 . . . . . . . . . rr_1hfg 1
. 1 . 921 . 1 1 58 TRP CG C -0.964 2.824 9.114 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CG . . . . . . . . . rr_1hfg 1
. 1 . 922 . 1 1 58 TRP CH2 C 0.449 0.600 5.768 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CH2 . . . . . . . . . rr_1hfg 1
. 1 . 923 . 1 1 58 TRP CZ2 C 0.102 0.031 6.996 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CZ2 . . . . . . . . . rr_1hfg 1
. 1 . 924 . 1 1 58 TRP CZ3 C 0.341 1.985 5.583 . . . 1.0 . . . . . . . . . . . . A . 58 TRP CZ3 . . . . . . . . . rr_1hfg 1
. 1 . 925 . 1 1 58 TRP H H -3.188 2.924 10.435 . . . 1.0 . . . . . . . . . . . . A . 58 TRP H . . . . . . . . . rr_1hfg 1
. 1 . 926 . 1 1 58 TRP HA H -2.912 5.592 9.473 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HA . . . . . . . . . rr_1hfg 1
. 1 . 927 . 1 1 58 TRP HB2 H -0.628 4.891 8.816 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HB2 . . . . . . . . . rr_1hfg 1
. 1 . 928 . 1 1 58 TRP HB3 H -1.012 4.442 10.477 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HB3 . . . . . . . . . rr_1hfg 1
. 1 . 929 . 1 1 58 TRP HD1 H -1.483 1.864 10.987 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HD1 . . . . . . . . . rr_1hfg 1
. 1 . 930 . 1 1 58 TRP HE1 H -0.788 -0.276 9.729 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HE1 . . . . . . . . . rr_1hfg 1
. 1 . 931 . 1 1 58 TRP HE3 H -0.197 3.873 6.473 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HE3 . . . . . . . . . rr_1hfg 1
. 1 . 932 . 1 1 58 TRP HH2 H 0.802 -0.026 4.963 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HH2 . . . . . . . . . rr_1hfg 1
. 1 . 933 . 1 1 58 TRP HZ2 H 0.185 -1.036 7.143 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 934 . 1 1 58 TRP HZ3 H 0.611 2.423 4.634 . . . 1.0 . . . . . . . . . . . . A . 58 TRP HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 935 . 1 1 58 TRP N N -3.579 3.687 9.962 . . . 1.0 . . . . . . . . . . . . A . 58 TRP N . . . . . . . . . rr_1hfg 1
. 1 . 936 . 1 1 58 TRP NE1 N -0.764 0.618 9.328 . . . 1.0 . . . . . . . . . . . . A . 58 TRP NE1 . . . . . . . . . rr_1hfg 1
. 1 . 937 . 1 1 58 TRP O O -2.825 5.347 6.910 . . . 1.0 . . . . . . . . . . . . A . 58 TRP O . . . . . . . . . rr_1hfg 1
. 1 . 938 . 1 1 59 VAL C C -5.092 3.711 5.538 . . . 1.0 . . . . . . . . . . . . A . 59 VAL C . . . . . . . . . rr_1hfg 1
. 1 . 939 . 1 1 59 VAL CA C -3.819 2.968 5.922 . . . 1.0 . . . . . . . . . . . . A . 59 VAL CA . . . . . . . . . rr_1hfg 1
. 1 . 940 . 1 1 59 VAL CB C -4.023 1.471 5.694 . . . 1.0 . . . . . . . . . . . . A . 59 VAL CB . . . . . . . . . rr_1hfg 1
. 1 . 941 . 1 1 59 VAL CG1 C -4.397 1.223 4.231 . . . 1.0 . . . . . . . . . . . . A . 59 VAL CG1 . . . . . . . . . rr_1hfg 1
. 1 . 942 . 1 1 59 VAL CG2 C -2.727 0.727 6.021 . . . 1.0 . . . . . . . . . . . . A . 59 VAL CG2 . . . . . . . . . rr_1hfg 1
. 1 . 943 . 1 1 59 VAL H H -3.625 2.532 7.989 . . . 1.0 . . . . . . . . . . . . A . 59 VAL H . . . . . . . . . rr_1hfg 1
. 1 . 944 . 1 1 59 VAL HA H -3.008 3.311 5.297 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HA . . . . . . . . . rr_1hfg 1
. 1 . 945 . 1 1 59 VAL HB H -4.817 1.114 6.334 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HB . . . . . . . . . rr_1hfg 1
. 1 . 946 . 1 1 59 VAL HG11 H -3.680 1.712 3.588 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HG11 . . . . . . . . . rr_1hfg 1
. 1 . 947 . 1 1 59 VAL HG12 H -4.393 0.161 4.033 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HG12 . . . . . . . . . rr_1hfg 1
. 1 . 948 . 1 1 59 VAL HG13 H -5.383 1.621 4.039 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HG13 . . . . . . . . . rr_1hfg 1
. 1 . 949 . 1 1 59 VAL HG21 H -1.920 1.131 5.427 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HG21 . . . . . . . . . rr_1hfg 1
. 1 . 950 . 1 1 59 VAL HG22 H -2.498 0.847 7.069 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HG22 . . . . . . . . . rr_1hfg 1
. 1 . 951 . 1 1 59 VAL HG23 H -2.848 -0.323 5.797 . . . 1.0 . . . . . . . . . . . . A . 59 VAL HG23 . . . . . . . . . rr_1hfg 1
. 1 . 952 . 1 1 59 VAL N N -3.489 3.234 7.318 . . . 1.0 . . . . . . . . . . . . A . 59 VAL N . . . . . . . . . rr_1hfg 1
. 1 . 953 . 1 1 59 VAL O O -5.304 4.053 4.375 . . . 1.0 . . . . . . . . . . . . A . 59 VAL O . . . . . . . . . rr_1hfg 1
. 1 . 954 . 1 1 60 LYS C C -6.921 6.157 6.101 . . . 1.0 . . . . . . . . . . . . A . 60 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 955 . 1 1 60 LYS CA C -7.190 4.669 6.300 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 956 . 1 1 60 LYS CB C -8.138 4.487 7.487 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 957 . 1 1 60 LYS CD C -10.528 4.533 8.215 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 958 . 1 1 60 LYS CE C -11.940 4.966 7.817 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 959 . 1 1 60 LYS CG C -9.576 4.751 7.037 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 960 . 1 1 60 LYS H H -5.712 3.665 7.443 . . . 1.0 . . . . . . . . . . . . A . 60 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 961 . 1 1 60 LYS HA H -7.659 4.273 5.412 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 962 . 1 1 60 LYS HB2 H -8.055 3.477 7.861 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 963 . 1 1 60 LYS HB3 H -7.874 5.184 8.269 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 964 . 1 1 60 LYS HD2 H -10.534 3.486 8.484 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 965 . 1 1 60 LYS HD3 H -10.198 5.120 9.058 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 966 . 1 1 60 LYS HE2 H -12.209 5.860 8.360 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 967 . 1 1 60 LYS HE3 H -11.970 5.167 6.756 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 968 . 1 1 60 LYS HG2 H -9.663 5.769 6.687 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 969 . 1 1 60 LYS HG3 H -9.834 4.072 6.238 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 970 . 1 1 60 LYS HZ1 H -12.456 3.202 8.796 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 971 . 1 1 60 LYS HZ2 H -13.749 4.285 8.592 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 972 . 1 1 60 LYS HZ3 H -13.182 3.386 7.271 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 973 . 1 1 60 LYS N N -5.937 3.960 6.535 . . . 1.0 . . . . . . . . . . . . A . 60 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 974 . 1 1 60 LYS NZ N -12.905 3.878 8.144 . . . 1.0 . . . . . . . . . . . . A . 60 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 975 . 1 1 60 LYS O O -7.450 6.782 5.181 . . . 1.0 . . . . . . . . . . . . A . 60 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 976 . 1 1 61 LYS C C -5.136 8.444 5.525 . . . 1.0 . . . . . . . . . . . . A . 61 LYS C . . . . . . . . . rr_1hfg 1
. 1 . 977 . 1 1 61 LYS CA C -5.744 8.131 6.887 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CA . . . . . . . . . rr_1hfg 1
. 1 . 978 . 1 1 61 LYS CB C -4.742 8.508 7.980 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CB . . . . . . . . . rr_1hfg 1
. 1 . 979 . 1 1 61 LYS CD C -4.158 10.224 9.700 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CD . . . . . . . . . rr_1hfg 1
. 1 . 980 . 1 1 61 LYS CE C -5.015 10.487 10.940 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CE . . . . . . . . . rr_1hfg 1
. 1 . 981 . 1 1 61 LYS CG C -5.066 9.906 8.510 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CG . . . . . . . . . rr_1hfg 1
. 1 . 982 . 1 1 61 LYS H H -5.693 6.166 7.684 . . . 1.0 . . . . . . . . . . . . A . 61 LYS H . . . . . . . . . rr_1hfg 1
. 1 . 983 . 1 1 61 LYS HA H -6.641 8.718 7.016 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HA . . . . . . . . . rr_1hfg 1
. 1 . 984 . 1 1 61 LYS HB2 H -4.804 7.793 8.787 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB2 . . . . . . . . . rr_1hfg 1
. 1 . 985 . 1 1 61 LYS HB3 H -3.744 8.503 7.570 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB3 . . . . . . . . . rr_1hfg 1
. 1 . 986 . 1 1 61 LYS HD2 H -3.502 9.386 9.885 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD2 . . . . . . . . . rr_1hfg 1
. 1 . 987 . 1 1 61 LYS HD3 H -3.569 11.102 9.479 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD3 . . . . . . . . . rr_1hfg 1
. 1 . 988 . 1 1 61 LYS HE2 H -5.890 11.054 10.659 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE2 . . . . . . . . . rr_1hfg 1
. 1 . 989 . 1 1 61 LYS HE3 H -5.319 9.546 11.373 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE3 . . . . . . . . . rr_1hfg 1
. 1 . 990 . 1 1 61 LYS HG2 H -4.904 10.634 7.728 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG2 . . . . . . . . . rr_1hfg 1
. 1 . 991 . 1 1 61 LYS HG3 H -6.097 9.942 8.827 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG3 . . . . . . . . . rr_1hfg 1
. 1 . 992 . 1 1 61 LYS HZ1 H -3.207 11.115 11.761 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ1 . . . . . . . . . rr_1hfg 1
. 1 . 993 . 1 1 61 LYS HZ2 H -4.445 12.270 11.851 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ2 . . . . . . . . . rr_1hfg 1
. 1 . 994 . 1 1 61 LYS HZ3 H -4.457 10.931 12.896 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ3 . . . . . . . . . rr_1hfg 1
. 1 . 995 . 1 1 61 LYS N N -6.087 6.715 6.974 . . . 1.0 . . . . . . . . . . . . A . 61 LYS N . . . . . . . . . rr_1hfg 1
. 1 . 996 . 1 1 61 LYS NZ N -4.221 11.259 11.937 . . . 1.0 . . . . . . . . . . . . A . 61 LYS NZ . . . . . . . . . rr_1hfg 1
. 1 . 997 . 1 1 61 LYS O O -5.486 9.436 4.885 . . . 1.0 . . . . . . . . . . . . A . 61 LYS O . . . . . . . . . rr_1hfg 1
. 1 . 998 . 1 1 62 LEU C C -4.611 7.858 2.687 . . . 1.0 . . . . . . . . . . . . A . 62 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 999 . 1 1 62 LEU CA C -3.570 7.772 3.795 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 1000 . 1 1 62 LEU CB C -2.620 6.612 3.496 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 1001 . 1 1 62 LEU CD1 C -1.073 4.978 4.580 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 1002 . 1 1 62 LEU CD2 C -0.254 7.257 3.972 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 1003 . 1 1 62 LEU CG C -1.456 6.455 4.476 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 1004 . 1 1 62 LEU H H -3.984 6.809 5.639 . . . 1.0 . . . . . . . . . . . . A . 62 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 1005 . 1 1 62 LEU HA H -3.005 8.690 3.818 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 1006 . 1 1 62 LEU HB2 H -3.190 5.697 3.503 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1007 . 1 1 62 LEU HB3 H -2.218 6.753 2.503 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1008 . 1 1 62 LEU HD11 H -1.350 4.470 3.667 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 1009 . 1 1 62 LEU HD12 H -0.007 4.891 4.731 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 1010 . 1 1 62 LEU HD13 H -1.593 4.529 5.413 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 1011 . 1 1 62 LEU HD21 H -0.450 7.606 2.969 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 1012 . 1 1 62 LEU HD22 H -0.089 8.104 4.621 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 1013 . 1 1 62 LEU HD23 H 0.624 6.628 3.970 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 1014 . 1 1 62 LEU HG H -1.752 6.819 5.449 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 1015 . 1 1 62 LEU N N -4.222 7.583 5.087 . . . 1.0 . . . . . . . . . . . . A . 62 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 1016 . 1 1 62 LEU O O -4.554 8.734 1.824 . . . 1.0 . . . . . . . . . . . . A . 62 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 1017 . 1 1 63 MET C C -7.249 8.291 1.577 . . . 1.0 . . . . . . . . . . . . A . 63 MET C . . . . . . . . . rr_1hfg 1
. 1 . 1018 . 1 1 63 MET CA C -6.627 6.908 1.723 . . . 1.0 . . . . . . . . . . . . A . 63 MET CA . . . . . . . . . rr_1hfg 1
. 1 . 1019 . 1 1 63 MET CB C -7.716 5.910 2.121 . . . 1.0 . . . . . . . . . . . . A . 63 MET CB . . . . . . . . . rr_1hfg 1
. 1 . 1020 . 1 1 63 MET CE C -7.924 2.641 0.035 . . . 1.0 . . . . . . . . . . . . A . 63 MET CE . . . . . . . . . rr_1hfg 1
. 1 . 1021 . 1 1 63 MET CG C -7.209 4.484 1.896 . . . 1.0 . . . . . . . . . . . . A . 63 MET CG . . . . . . . . . rr_1hfg 1
. 1 . 1022 . 1 1 63 MET H H -5.559 6.265 3.439 . . . 1.0 . . . . . . . . . . . . A . 63 MET H . . . . . . . . . rr_1hfg 1
. 1 . 1023 . 1 1 63 MET HA H -6.207 6.610 0.775 . . . 1.0 . . . . . . . . . . . . A . 63 MET HA . . . . . . . . . rr_1hfg 1
. 1 . 1024 . 1 1 63 MET HB2 H -7.964 6.045 3.164 . . . 1.0 . . . . . . . . . . . . A . 63 MET HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1025 . 1 1 63 MET HB3 H -8.595 6.077 1.517 . . . 1.0 . . . . . . . . . . . . A . 63 MET HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1026 . 1 1 63 MET HE1 H -7.149 3.280 -0.367 . . . 1.0 . . . . . . . . . . . . A . 63 MET HE1 . . . . . . . . . rr_1hfg 1
. 1 . 1027 . 1 1 63 MET HE2 H -7.510 1.673 0.279 . . . 1.0 . . . . . . . . . . . . A . 63 MET HE2 . . . . . . . . . rr_1hfg 1
. 1 . 1028 . 1 1 63 MET HE3 H -8.704 2.521 -0.700 . . . 1.0 . . . . . . . . . . . . A . 63 MET HE3 . . . . . . . . . rr_1hfg 1
. 1 . 1029 . 1 1 63 MET HG2 H -6.519 4.474 1.066 . . . 1.0 . . . . . . . . . . . . A . 63 MET HG2 . . . . . . . . . rr_1hfg 1
. 1 . 1030 . 1 1 63 MET HG3 H -6.707 4.136 2.786 . . . 1.0 . . . . . . . . . . . . A . 63 MET HG3 . . . . . . . . . rr_1hfg 1
. 1 . 1031 . 1 1 63 MET N N -5.566 6.935 2.725 . . . 1.0 . . . . . . . . . . . . A . 63 MET N . . . . . . . . . rr_1hfg 1
. 1 . 1032 . 1 1 63 MET O O -7.547 8.743 0.471 . . . 1.0 . . . . . . . . . . . . A . 63 MET O . . . . . . . . . rr_1hfg 1
. 1 . 1033 . 1 1 63 MET SD S -8.609 3.397 1.529 . . . 1.0 . . . . . . . . . . . . A . 63 MET SD . . . . . . . . . rr_1hfg 1
. 1 . 1034 . 1 1 64 GLN C C -6.957 11.340 2.395 . . . 1.0 . . . . . . . . . . . . A . 64 GLN C . . . . . . . . . rr_1hfg 1
. 1 . 1035 . 1 1 64 GLN CA C -8.024 10.296 2.708 . . . 1.0 . . . . . . . . . . . . A . 64 GLN CA . . . . . . . . . rr_1hfg 1
. 1 . 1036 . 1 1 64 GLN CB C -8.647 10.611 4.069 . . . 1.0 . . . . . . . . . . . . A . 64 GLN CB . . . . . . . . . rr_1hfg 1
. 1 . 1037 . 1 1 64 GLN CD C -10.764 10.552 5.389 . . . 1.0 . . . . . . . . . . . . A . 64 GLN CD . . . . . . . . . rr_1hfg 1
. 1 . 1038 . 1 1 64 GLN CG C -10.163 10.419 3.993 . . . 1.0 . . . . . . . . . . . . A . 64 GLN CG . . . . . . . . . rr_1hfg 1
. 1 . 1039 . 1 1 64 GLN H H -7.179 8.546 3.560 . . . 1.0 . . . . . . . . . . . . A . 64 GLN H . . . . . . . . . rr_1hfg 1
. 1 . 1040 . 1 1 64 GLN HA H -8.793 10.342 1.952 . . . 1.0 . . . . . . . . . . . . A . 64 GLN HA . . . . . . . . . rr_1hfg 1
. 1 . 1041 . 1 1 64 GLN HB2 H -8.236 9.947 4.816 . . . 1.0 . . . . . . . . . . . . A . 64 GLN HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1042 . 1 1 64 GLN HB3 H -8.429 11.634 4.337 . . . 1.0 . . . . . . . . . . . . A . 64 GLN HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1043 . 1 1 64 GLN HE21 H -12.632 10.670 4.727 . . . 1.0 . . . . . . . . . . . . A . 64 GLN HE21 . . . . . . . . . rr_1hfg 1
. 1 . 1044 . 1 1 64 GLN HE22 H -12.453 10.755 6.413 . . . 1.0 . . . . . . . . . . . . A . 64 GLN HE22 . . . . . . . . . rr_1hfg 1
. 1 . 1045 . 1 1 64 GLN HG2 H -10.589 11.170 3.344 . . . 1.0 . . . . . . . . . . . . A . 64 GLN HG2 . . . . . . . . . rr_1hfg 1
. 1 . 1046 . 1 1 64 GLN HG3 H -10.382 9.437 3.601 . . . 1.0 . . . . . . . . . . . . A . 64 GLN HG3 . . . . . . . . . rr_1hfg 1
. 1 . 1047 . 1 1 64 GLN N N -7.438 8.958 2.710 . . . 1.0 . . . . . . . . . . . . A . 64 GLN N . . . . . . . . . rr_1hfg 1
. 1 . 1048 . 1 1 64 GLN NE2 N -12.057 10.668 5.520 . . . 1.0 . . . . . . . . . . . . A . 64 GLN NE2 . . . . . . . . . rr_1hfg 1
. 1 . 1049 . 1 1 64 GLN O O -7.246 12.395 1.830 . . . 1.0 . . . . . . . . . . . . A . 64 GLN O . . . . . . . . . rr_1hfg 1
. 1 . 1050 . 1 1 64 GLN OE1 O -10.041 10.550 6.385 . . . 1.0 . . . . . . . . . . . . A . 64 GLN OE1 . . . . . . . . . rr_1hfg 1
. 1 . 1051 . 1 1 65 GLN C C -4.217 11.927 1.051 . . . 1.0 . . . . . . . . . . . . A . 65 GLN C . . . . . . . . . rr_1hfg 1
. 1 . 1052 . 1 1 65 GLN CA C -4.608 11.951 2.525 . . . 1.0 . . . . . . . . . . . . A . 65 GLN CA . . . . . . . . . rr_1hfg 1
. 1 . 1053 . 1 1 65 GLN CB C -3.394 11.563 3.370 . . . 1.0 . . . . . . . . . . . . A . 65 GLN CB . . . . . . . . . rr_1hfg 1
. 1 . 1054 . 1 1 65 GLN CD C -2.292 13.323 4.752 . . . 1.0 . . . . . . . . . . . . A . 65 GLN CD . . . . . . . . . rr_1hfg 1
. 1 . 1055 . 1 1 65 GLN CG C -3.436 12.317 4.701 . . . 1.0 . . . . . . . . . . . . A . 65 GLN CG . . . . . . . . . rr_1hfg 1
. 1 . 1056 . 1 1 65 GLN H H -5.547 10.178 3.216 . . . 1.0 . . . . . . . . . . . . A . 65 GLN H . . . . . . . . . rr_1hfg 1
. 1 . 1057 . 1 1 65 GLN HA H -4.914 12.951 2.791 . . . 1.0 . . . . . . . . . . . . A . 65 GLN HA . . . . . . . . . rr_1hfg 1
. 1 . 1058 . 1 1 65 GLN HB2 H -3.411 10.499 3.557 . . . 1.0 . . . . . . . . . . . . A . 65 GLN HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1059 . 1 1 65 GLN HB3 H -2.489 11.821 2.841 . . . 1.0 . . . . . . . . . . . . A . 65 GLN HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1060 . 1 1 65 GLN HE21 H -2.927 14.174 6.430 . . . 1.0 . . . . . . . . . . . . A . 65 GLN HE21 . . . . . . . . . rr_1hfg 1
. 1 . 1061 . 1 1 65 GLN HE22 H -1.505 14.832 5.776 . . . 1.0 . . . . . . . . . . . . A . 65 GLN HE22 . . . . . . . . . rr_1hfg 1
. 1 . 1062 . 1 1 65 GLN HG2 H -4.378 12.837 4.790 . . . 1.0 . . . . . . . . . . . . A . 65 GLN HG2 . . . . . . . . . rr_1hfg 1
. 1 . 1063 . 1 1 65 GLN HG3 H -3.333 11.616 5.515 . . . 1.0 . . . . . . . . . . . . A . 65 GLN HG3 . . . . . . . . . rr_1hfg 1
. 1 . 1064 . 1 1 65 GLN N N -5.718 11.033 2.770 . . . 1.0 . . . . . . . . . . . . A . 65 GLN N . . . . . . . . . rr_1hfg 1
. 1 . 1065 . 1 1 65 GLN NE2 N -2.237 14.181 5.734 . . . 1.0 . . . . . . . . . . . . A . 65 GLN NE2 . . . . . . . . . rr_1hfg 1
. 1 . 1066 . 1 1 65 GLN O O -3.804 12.940 0.486 . . . 1.0 . . . . . . . . . . . . A . 65 GLN O . . . . . . . . . rr_1hfg 1
. 1 . 1067 . 1 1 65 GLN OE1 O -1.424 13.332 3.878 . . . 1.0 . . . . . . . . . . . . A . 65 GLN OE1 . . . . . . . . . rr_1hfg 1
. 1 . 1068 . 1 1 66 LEU C C -5.262 10.233 -1.776 . . . 1.0 . . . . . . . . . . . . A . 66 LEU C . . . . . . . . . rr_1hfg 1
. 1 . 1069 . 1 1 66 LEU CA C -4.019 10.606 -0.978 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CA . . . . . . . . . rr_1hfg 1
. 1 . 1070 . 1 1 66 LEU CB C -2.962 9.516 -1.163 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CB . . . . . . . . . rr_1hfg 1
. 1 . 1071 . 1 1 66 LEU CD1 C -0.929 8.306 -0.356 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CD1 . . . . . . . . . rr_1hfg 1
. 1 . 1072 . 1 1 66 LEU CD2 C -1.066 10.792 -0.154 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CD2 . . . . . . . . . rr_1hfg 1
. 1 . 1073 . 1 1 66 LEU CG C -1.865 9.488 -0.096 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CG . . . . . . . . . rr_1hfg 1
. 1 . 1074 . 1 1 66 LEU H H -4.693 9.985 0.934 . . . 1.0 . . . . . . . . . . . . A . 66 LEU H . . . . . . . . . rr_1hfg 1
. 1 . 1075 . 1 1 66 LEU HA H -3.627 11.541 -1.350 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HA . . . . . . . . . rr_1hfg 1
. 1 . 1076 . 1 1 66 LEU HB2 H -3.457 8.558 -1.160 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1077 . 1 1 66 LEU HB3 H -2.499 9.655 -2.130 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1078 . 1 1 66 LEU HD11 H -1.488 7.495 -0.798 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD11 . . . . . . . . . rr_1hfg 1
. 1 . 1079 . 1 1 66 LEU HD12 H -0.143 8.611 -1.031 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD12 . . . . . . . . . rr_1hfg 1
. 1 . 1080 . 1 1 66 LEU HD13 H -0.495 7.978 0.577 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD13 . . . . . . . . . rr_1hfg 1
. 1 . 1081 . 1 1 66 LEU HD21 H -1.367 11.361 -1.021 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD21 . . . . . . . . . rr_1hfg 1
. 1 . 1082 . 1 1 66 LEU HD22 H -1.254 11.369 0.739 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD22 . . . . . . . . . rr_1hfg 1
. 1 . 1083 . 1 1 66 LEU HD23 H -0.012 10.566 -0.221 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD23 . . . . . . . . . rr_1hfg 1
. 1 . 1084 . 1 1 66 LEU HG H -2.315 9.382 0.880 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HG . . . . . . . . . rr_1hfg 1
. 1 . 1085 . 1 1 66 LEU N N -4.356 10.757 0.434 . . . 1.0 . . . . . . . . . . . . A . 66 LEU N . . . . . . . . . rr_1hfg 1
. 1 . 1086 . 1 1 66 LEU O O -6.238 9.721 -1.227 . . . 1.0 . . . . . . . . . . . . A . 66 LEU O . . . . . . . . . rr_1hfg 1
. 1 . 1087 . 1 1 67 PRO C C -6.411 8.703 -4.362 . . . 1.0 . . . . . . . . . . . . A . 67 PRO C . . . . . . . . . rr_1hfg 1
. 1 . 1088 . 1 1 67 PRO CA C -6.370 10.179 -3.966 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CA . . . . . . . . . rr_1hfg 1
. 1 . 1089 . 1 1 67 PRO CB C -6.091 11.075 -5.169 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CB . . . . . . . . . rr_1hfg 1
. 1 . 1090 . 1 1 67 PRO CD C -4.075 11.100 -3.752 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CD . . . . . . . . . rr_1hfg 1
. 1 . 1091 . 1 1 67 PRO CG C -4.593 11.360 -5.172 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CG . . . . . . . . . rr_1hfg 1
. 1 . 1092 . 1 1 67 PRO HA H -7.299 10.473 -3.507 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HA . . . . . . . . . rr_1hfg 1
. 1 . 1093 . 1 1 67 PRO HB2 H -6.378 10.569 -6.080 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1094 . 1 1 67 PRO HB3 H -6.636 12.001 -5.073 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1095 . 1 1 67 PRO HD2 H -3.237 10.416 -3.773 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HD2 . . . . . . . . . rr_1hfg 1
. 1 . 1096 . 1 1 67 PRO HD3 H -3.805 12.025 -3.267 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HD3 . . . . . . . . . rr_1hfg 1
. 1 . 1097 . 1 1 67 PRO HG2 H -4.096 10.704 -5.874 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HG2 . . . . . . . . . rr_1hfg 1
. 1 . 1098 . 1 1 67 PRO HG3 H -4.415 12.390 -5.439 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HG3 . . . . . . . . . rr_1hfg 1
. 1 . 1099 . 1 1 67 PRO N N -5.236 10.489 -3.080 . . . 1.0 . . . . . . . . . . . . A . 67 PRO N . . . . . . . . . rr_1hfg 1
. 1 . 1100 . 1 1 67 PRO O O -6.998 7.881 -3.658 . . . 1.0 . . . . . . . . . . . . A . 67 PRO O . . . . . . . . . rr_1hfg 1
. 1 . 1101 . 1 1 68 VAL C C -5.125 6.912 -7.349 . . . 1.0 . . . . . . . . . . . . A . 68 VAL C . . . . . . . . . rr_1hfg 1
. 1 . 1102 . 1 1 68 VAL CA C -5.746 6.987 -5.952 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CA . . . . . . . . . rr_1hfg 1
. 1 . 1103 . 1 1 68 VAL CB C -7.173 6.394 -5.956 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CB . . . . . . . . . rr_1hfg 1
. 1 . 1104 . 1 1 68 VAL CG1 C -7.751 6.333 -7.378 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CG1 . . . . . . . . . rr_1hfg 1
. 1 . 1105 . 1 1 68 VAL CG2 C -7.132 4.982 -5.368 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CG2 . . . . . . . . . rr_1hfg 1
. 1 . 1106 . 1 1 68 VAL H H -5.315 9.062 -6.005 . . . 1.0 . . . . . . . . . . . . A . 68 VAL H . . . . . . . . . rr_1hfg 1
. 1 . 1107 . 1 1 68 VAL HA H -5.135 6.410 -5.272 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HA . . . . . . . . . rr_1hfg 1
. 1 . 1108 . 1 1 68 VAL HB H -7.815 7.011 -5.346 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HB . . . . . . . . . rr_1hfg 1
. 1 . 1109 . 1 1 68 VAL HG11 H -7.513 7.247 -7.902 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG11 . . . . . . . . . rr_1hfg 1
. 1 . 1110 . 1 1 68 VAL HG12 H -7.322 5.494 -7.905 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG12 . . . . . . . . . rr_1hfg 1
. 1 . 1111 . 1 1 68 VAL HG13 H -8.823 6.217 -7.326 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG13 . . . . . . . . . rr_1hfg 1
. 1 . 1112 . 1 1 68 VAL HG21 H -6.371 4.934 -4.602 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG21 . . . . . . . . . rr_1hfg 1
. 1 . 1113 . 1 1 68 VAL HG22 H -8.092 4.744 -4.935 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG22 . . . . . . . . . rr_1hfg 1
. 1 . 1114 . 1 1 68 VAL HG23 H -6.902 4.273 -6.149 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG23 . . . . . . . . . rr_1hfg 1
. 1 . 1115 . 1 1 68 VAL N N -5.775 8.371 -5.486 . . . 1.0 . . . . . . . . . . . . A . 68 VAL N . . . . . . . . . rr_1hfg 1
. 1 . 1116 . 1 1 68 VAL O O -5.316 7.803 -8.176 . . . 1.0 . . . . . . . . . . . . A . 68 VAL O . . . . . . . . . rr_1hfg 1
. 1 . 1117 . 1 1 69 THR C C -4.781 5.341 -9.965 . . . 1.0 . . . . . . . . . . . . A . 69 THR C . . . . . . . . . rr_1hfg 1
. 1 . 1118 . 1 1 69 THR CA C -3.740 5.654 -8.894 . . . 1.0 . . . . . . . . . . . . A . 69 THR CA . . . . . . . . . rr_1hfg 1
. 1 . 1119 . 1 1 69 THR CB C -2.733 4.505 -8.827 . . . 1.0 . . . . . . . . . . . . A . 69 THR CB . . . . . . . . . rr_1hfg 1
. 1 . 1120 . 1 1 69 THR CG2 C -2.007 4.537 -7.481 . . . 1.0 . . . . . . . . . . . . A . 69 THR CG2 . . . . . . . . . rr_1hfg 1
. 1 . 1121 . 1 1 69 THR H H -4.263 5.159 -6.904 . . . 1.0 . . . . . . . . . . . . A . 69 THR H . . . . . . . . . rr_1hfg 1
. 1 . 1122 . 1 1 69 THR HA H -3.219 6.561 -9.162 . . . 1.0 . . . . . . . . . . . . A . 69 THR HA . . . . . . . . . rr_1hfg 1
. 1 . 1123 . 1 1 69 THR HB H -2.013 4.614 -9.620 . . . 1.0 . . . . . . . . . . . . A . 69 THR HB . . . . . . . . . rr_1hfg 1
. 1 . 1124 . 1 1 69 THR HG1 H -3.354 3.001 -9.892 . . . 1.0 . . . . . . . . . . . . A . 69 THR HG1 . . . . . . . . . rr_1hfg 1
. 1 . 1125 . 1 1 69 THR HG21 H -2.341 5.392 -6.913 . . . 1.0 . . . . . . . . . . . . A . 69 THR HG21 . . . . . . . . . rr_1hfg 1
. 1 . 1126 . 1 1 69 THR HG22 H -2.225 3.633 -6.933 . . . 1.0 . . . . . . . . . . . . A . 69 THR HG22 . . . . . . . . . rr_1hfg 1
. 1 . 1127 . 1 1 69 THR HG23 H -0.943 4.609 -7.648 . . . 1.0 . . . . . . . . . . . . A . 69 THR HG23 . . . . . . . . . rr_1hfg 1
. 1 . 1128 . 1 1 69 THR N N -4.382 5.838 -7.599 . . . 1.0 . . . . . . . . . . . . A . 69 THR N . . . . . . . . . rr_1hfg 1
. 1 . 1129 . 1 1 69 THR O O -5.293 4.225 -10.047 . . . 1.0 . . . . . . . . . . . . A . 69 THR O . . . . . . . . . rr_1hfg 1
. 1 . 1130 . 1 1 69 THR OG1 O -3.417 3.269 -8.972 . . . 1.0 . . . . . . . . . . . . A . 69 THR OG1 . . . . . . . . . rr_1hfg 1
. 1 . 1131 . 1 1 70 ALA C C -5.467 6.545 -13.198 . . . 1.0 . . . . . . . . . . . . A . 70 ALA C . . . . . . . . . rr_1hfg 1
. 1 . 1132 . 1 1 70 ALA CA C -6.070 6.168 -11.849 . . . 1.0 . . . . . . . . . . . . A . 70 ALA CA . . . . . . . . . rr_1hfg 1
. 1 . 1133 . 1 1 70 ALA CB C -7.301 7.039 -11.591 . . . 1.0 . . . . . . . . . . . . A . 70 ALA CB . . . . . . . . . rr_1hfg 1
. 1 . 1134 . 1 1 70 ALA H H -4.650 7.209 -10.673 . . . 1.0 . . . . . . . . . . . . A . 70 ALA H . . . . . . . . . rr_1hfg 1
. 1 . 1135 . 1 1 70 ALA HA H -6.374 5.135 -11.876 . . . 1.0 . . . . . . . . . . . . A . 70 ALA HA . . . . . . . . . rr_1hfg 1
. 1 . 1136 . 1 1 70 ALA HB1 H -7.899 7.092 -12.489 . . . 1.0 . . . . . . . . . . . . A . 70 ALA HB1 . . . . . . . . . rr_1hfg 1
. 1 . 1137 . 1 1 70 ALA HB2 H -7.887 6.607 -10.794 . . . 1.0 . . . . . . . . . . . . A . 70 ALA HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1138 . 1 1 70 ALA HB3 H -6.986 8.033 -11.309 . . . 1.0 . . . . . . . . . . . . A . 70 ALA HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1139 . 1 1 70 ALA N N -5.088 6.343 -10.785 . . . 1.0 . . . . . . . . . . . . A . 70 ALA N . . . . . . . . . rr_1hfg 1
. 1 . 1140 . 1 1 70 ALA O O -5.292 7.723 -13.509 . . . 1.0 . . . . . . . . . . . . A . 70 ALA O . . . . . . . . . rr_1hfg 1
. 1 . 1141 . 1 1 71 ARG C C -4.455 4.449 -16.085 . . . 1.0 . . . . . . . . . . . . A . 71 ARG C . . . . . . . . . rr_1hfg 1
. 1 . 1142 . 1 1 71 ARG CA C -4.569 5.760 -15.315 . . . 1.0 . . . . . . . . . . . . A . 71 ARG CA . . . . . . . . . rr_1hfg 1
. 1 . 1143 . 1 1 71 ARG CB C -3.177 6.382 -15.183 . . . 1.0 . . . . . . . . . . . . A . 71 ARG CB . . . . . . . . . rr_1hfg 1
. 1 . 1144 . 1 1 71 ARG CD C -3.767 8.060 -16.938 . . . 1.0 . . . . . . . . . . . . A . 71 ARG CD . . . . . . . . . rr_1hfg 1
. 1 . 1145 . 1 1 71 ARG CG C -2.758 6.987 -16.524 . . . 1.0 . . . . . . . . . . . . A . 71 ARG CG . . . . . . . . . rr_1hfg 1
. 1 . 1146 . 1 1 71 ARG CZ C -5.829 8.186 -18.216 . . . 1.0 . . . . . . . . . . . . A . 71 ARG CZ . . . . . . . . . rr_1hfg 1
. 1 . 1147 . 1 1 71 ARG H H -5.315 4.610 -13.695 . . . 1.0 . . . . . . . . . . . . A . 71 ARG H . . . . . . . . . rr_1hfg 1
. 1 . 1148 . 1 1 71 ARG HA H -5.203 6.438 -15.866 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HA . . . . . . . . . rr_1hfg 1
. 1 . 1149 . 1 1 71 ARG HB2 H -3.199 7.156 -14.429 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HB2 . . . . . . . . . rr_1hfg 1
. 1 . 1150 . 1 1 71 ARG HB3 H -2.468 5.620 -14.896 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HB3 . . . . . . . . . rr_1hfg 1
. 1 . 1151 . 1 1 71 ARG HD2 H -4.309 8.394 -16.067 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HD2 . . . . . . . . . rr_1hfg 1
. 1 . 1152 . 1 1 71 ARG HD3 H -3.238 8.897 -17.370 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HD3 . . . . . . . . . rr_1hfg 1
. 1 . 1153 . 1 1 71 ARG HE H -4.523 6.673 -18.355 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HE . . . . . . . . . rr_1hfg 1
. 1 . 1154 . 1 1 71 ARG HG2 H -1.778 7.431 -16.428 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HG2 . . . . . . . . . rr_1hfg 1
. 1 . 1155 . 1 1 71 ARG HG3 H -2.731 6.212 -17.276 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HG3 . . . . . . . . . rr_1hfg 1
. 1 . 1156 . 1 1 71 ARG HH11 H -5.454 9.703 -16.965 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HH11 . . . . . . . . . rr_1hfg 1
. 1 . 1157 . 1 1 71 ARG HH12 H -6.931 9.820 -17.863 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HH12 . . . . . . . . . rr_1hfg 1
. 1 . 1158 . 1 1 71 ARG HH21 H -6.459 6.820 -19.537 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HH21 . . . . . . . . . rr_1hfg 1
. 1 . 1159 . 1 1 71 ARG HH22 H -7.500 8.187 -19.319 . . . 1.0 . . . . . . . . . . . . A . 71 ARG HH22 . . . . . . . . . rr_1hfg 1
. 1 . 1160 . 1 1 71 ARG N N -5.153 5.529 -13.996 . . . 1.0 . . . . . . . . . . . . A . 71 ARG N . . . . . . . . . rr_1hfg 1
. 1 . 1161 . 1 1 71 ARG NE N -4.713 7.528 -17.915 . . . 1.0 . . . . . . . . . . . . A . 71 ARG NE . . . . . . . . . rr_1hfg 1
. 1 . 1162 . 1 1 71 ARG NH1 N -6.092 9.325 -17.636 . . . 1.0 . . . . . . . . . . . . A . 71 ARG NH1 . . . . . . . . . rr_1hfg 1
. 1 . 1163 . 1 1 71 ARG NH2 N -6.661 7.692 -19.092 . . . 1.0 . . . . . . . . . . . . A . 71 ARG NH2 . . . . . . . . . rr_1hfg 1
. 1 . 1164 . 1 1 71 ARG O O -4.608 4.480 -17.295 . . . 1.0 . . . . . . . . . . . . A . 71 ARG O . . . . . . . . . rr_1hfg 1
. 1 . 1165 . 1 1 71 ARG OXT O -4.218 3.432 -15.452 . . . 1.0 . . . . . . . . . . . . A . 71 ARG OXT . . . . . . . . . rr_1hfg 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_1hfg
_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 1hfg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 22 rr_1hfg 1
1 1hfg.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 5 distance NOE simple 172 rr_1hfg 1
1 1hfg.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 7 distance NOE simple 29 rr_1hfg 1
1 1hfg.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 9 distance NOE simple 57 rr_1hfg 1
1 1hfg.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 11 distance NOE simple 81 rr_1hfg 1
1 1hfg.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 13 distance NOE simple 1 rr_1hfg 1
1 1hfg.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 15 distance NOE simple 109 rr_1hfg 1
1 1hfg.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 17 distance NOE simple 306 rr_1hfg 1
1 1hfg.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 47 rr_1hfg 1
1 1hfg.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . "MR format" 21 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1hfg 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_1hfg
_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
2 "From CCPN project: '1hfg'" . . . . distance "general distance" . 29 rr_1hfg 1
7 "From CCPN project: '1hfg'" . . . . distance "general distance" . 306 rr_1hfg 1
5 "From CCPN project: '1hfg'" . . . . distance "general distance" . 1 rr_1hfg 1
6 "From CCPN project: '1hfg'" . . . . distance "general distance" . 109 rr_1hfg 1
3 "From CCPN project: '1hfg'" . . . . distance "general distance" . 57 rr_1hfg 1
1 "From CCPN project: '1hfg'" . . . . distance "general distance" . 172 rr_1hfg 1
4 "From CCPN project: '1hfg'" . . . . distance "general distance" . 81 rr_1hfg 1
8 "From CCPN project: '1hfg'" . . . . distance "hydrogen bond" . 22 rr_1hfg 1
9 "From CCPN project: '1hfg'" . . . . "dihedral angle" "Not applicable" . 46 rr_1hfg 1
stop_
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 1hfg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 22 rr_1hfg 1
1 1hfg.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 5 distance NOE simple 172 rr_1hfg 1
1 1hfg.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 7 distance NOE simple 29 rr_1hfg 1
1 1hfg.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 9 distance NOE simple 57 rr_1hfg 1
1 1hfg.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 11 distance NOE simple 81 rr_1hfg 1
1 1hfg.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 13 distance NOE simple 1 rr_1hfg 1
1 1hfg.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 15 distance NOE simple 109 rr_1hfg 1
1 1hfg.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 17 distance NOE simple 306 rr_1hfg 1
1 1hfg.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 47 rr_1hfg 1
1 1hfg.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 rr_1hfg 1
1 1hfg.mr . . "MR format" 21 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1hfg 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_7
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 3
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 7
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 15 15 TYR QE H . . . 1 1 39 39 GLY HA2 H . . . . . 3.0 1.8 5.0 . . . . . A . 39 GLY HA2 . . A . 15 TYR QE . . . 39 . HA# . . . . . 15 . HE# . . rr_1hfg 1
1 2 OR . 1 1 39 39 GLY HA3 H . . . 1 1 15 15 TYR QE H . . . . . 3.0 1.8 5.0 . . . . . A . 39 GLY HA3 . . A . 15 TYR QE . . . 39 . HA# . . . . . 15 . HE# . . rr_1hfg 1
2 1 . . 1 1 52 52 ALA MB H . . . 1 1 15 15 TYR QE H . . . . . 4.0 1.8 6.5 . . . . . A . 52 ALA MB . . A . 15 TYR QE . . . 52 . HB# . . . . . 15 . HE# . . rr_1hfg 1
3 1 . . 1 1 52 52 ALA HA H . . . 1 1 15 15 TYR QE H . . . . . 4.0 1.8 5.5 . . . . . A . 52 ALA HA . . A . 15 TYR QE . . . 52 . HA . . . . . 15 . HE# . . rr_1hfg 1
4 1 . . 1 1 51 51 CYS HB3 H . . . 1 1 15 15 TYR QD H . . . . . 4.0 1.8 5.0 . . . . . A . 51 CYS HB3 . . A . 15 TYR QD . . . 51 . HB1 . . . . . 15 . HD# . . rr_1hfg 1
5 1 . . 1 1 15 15 TYR QD H . . . 1 1 53 53 ASP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 53 ASP HA . . A . 15 TYR QD . . . 53 . HA . . . . . 15 . HD# . . rr_1hfg 1
6 1 . . 1 1 15 15 TYR QE H . . . 1 1 53 53 ASP HA H . . . . . 3.0 1.8 4.0 . . . . . A . 53 ASP HA . . A . 15 TYR QE . . . 53 . HA . . . . . 15 . HE# . . rr_1hfg 1
7 1 OR . 1 1 41 41 ILE HB H . . . 1 1 29 29 TYR HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HB . . A . 29 TYR HD1 . . . 41 . HB . . . . . 29 . HD# . . rr_1hfg 1
7 2 OR . 1 1 41 41 ILE HB H . . . 1 1 29 29 TYR HD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HB . . A . 29 TYR HD2 . . . 41 . HB . . . . . 29 . HD# . . rr_1hfg 1
8 1 OR . 1 1 41 41 ILE HB H . . . 1 1 29 29 TYR HE1 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HB . . A . 29 TYR HE1 . . . 41 . HB . . . . . 29 . HE# . . rr_1hfg 1
8 2 OR . 1 1 41 41 ILE HB H . . . 1 1 29 29 TYR HE2 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HB . . A . 29 TYR HE2 . . . 41 . HB . . . . . 29 . HE# . . rr_1hfg 1
9 1 OR . 1 1 29 29 TYR HE2 H . . . 1 1 10 10 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HD2 . . A . 29 TYR HE2 . . . 10 . HD# . . . . . 29 . HE# . . rr_1hfg 1
9 2 OR . 1 1 29 29 TYR HE1 H . . . 1 1 10 10 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HD2 . . A . 29 TYR HE1 . . . 10 . HD# . . . . . 29 . HE# . . rr_1hfg 1
9 3 OR . 1 1 10 10 LYS HD3 H . . . 1 1 29 29 TYR HE1 H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HD3 . . A . 29 TYR HE1 . . . 10 . HD# . . . . . 29 . HE# . . rr_1hfg 1
9 4 OR . 1 1 29 29 TYR HE2 H . . . 1 1 10 10 LYS HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HD3 . . A . 29 TYR HE2 . . . 10 . HD# . . . . . 29 . HE# . . rr_1hfg 1
10 1 OR . 1 1 41 41 ILE MG H . . . 1 1 29 29 TYR HD1 H . . . . . 3.0 1.8 4.5 . . . . . A . 41 ILE MG . . A . 29 TYR HD1 . . . 41 . HG2# . . . . . 29 . HD# . . rr_1hfg 1
10 2 OR . 1 1 41 41 ILE MG H . . . 1 1 29 29 TYR HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 41 ILE MG . . A . 29 TYR HD2 . . . 41 . HG2# . . . . . 29 . HD# . . rr_1hfg 1
11 1 OR . 1 1 41 41 ILE MG H . . . 1 1 29 29 TYR HE1 H . . . . . 3.0 1.8 4.5 . . . . . A . 41 ILE MG . . A . 29 TYR HE1 . . . 41 . HG2# . . . . . 29 . HE# . . rr_1hfg 1
11 2 OR . 1 1 41 41 ILE MG H . . . 1 1 29 29 TYR HE2 H . . . . . 3.0 1.8 4.5 . . . . . A . 41 ILE MG . . A . 29 TYR HE2 . . . 41 . HG2# . . . . . 29 . HE# . . rr_1hfg 1
12 1 OR . 1 1 43 43 LEU MD1 H . . . 1 1 29 29 TYR HD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD1 . . A . 29 TYR HD1 . . . 43 . HD# . . . . . 29 . HD# . . rr_1hfg 1
12 2 OR . 1 1 29 29 TYR HD2 H . . . 1 1 43 43 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD2 . . A . 29 TYR HD2 . . . 43 . HD# . . . . . 29 . HD# . . rr_1hfg 1
12 3 OR . 1 1 43 43 LEU MD1 H . . . 1 1 29 29 TYR HD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD1 . . A . 29 TYR HD2 . . . 43 . HD# . . . . . 29 . HD# . . rr_1hfg 1
12 4 OR . 1 1 29 29 TYR HD1 H . . . 1 1 43 43 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD2 . . A . 29 TYR HD1 . . . 43 . HD# . . . . . 29 . HD# . . rr_1hfg 1
13 1 OR . 1 1 43 43 LEU MD1 H . . . 1 1 29 29 TYR HE1 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD1 . . A . 29 TYR HE1 . . . 43 . HD# . . . . . 29 . HE# . . rr_1hfg 1
13 2 OR . 1 1 29 29 TYR HE1 H . . . 1 1 43 43 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD2 . . A . 29 TYR HE1 . . . 43 . HD# . . . . . 29 . HE# . . rr_1hfg 1
13 3 OR . 1 1 29 29 TYR HE2 H . . . 1 1 43 43 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD1 . . A . 29 TYR HE2 . . . 43 . HD# . . . . . 29 . HE# . . rr_1hfg 1
13 4 OR . 1 1 29 29 TYR HE2 H . . . 1 1 43 43 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD2 . . A . 29 TYR HE2 . . . 43 . HD# . . . . . 29 . HE# . . rr_1hfg 1
14 1 OR . 1 1 69 69 THR MG H . . . 1 1 29 29 TYR HD1 H . . . . . 3.0 1.8 4.5 . . . . . A . 69 THR MG . . A . 29 TYR HD1 . . . 69 . HG2# . . . . . 29 . HD# . . rr_1hfg 1
14 2 OR . 1 1 69 69 THR MG H . . . 1 1 29 29 TYR HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 69 THR MG . . A . 29 TYR HD2 . . . 69 . HG2# . . . . . 29 . HD# . . rr_1hfg 1
15 1 OR . 1 1 69 69 THR MG H . . . 1 1 29 29 TYR HE1 H . . . . . 5.0 1.8 6.5 . . . . . A . 69 THR MG . . A . 29 TYR HE1 . . . 69 . HG2# . . . . . 29 . HE# . . rr_1hfg 1
15 2 OR . 1 1 29 29 TYR HE2 H . . . 1 1 69 69 THR MG H . . . . . 5.0 1.8 6.5 . . . . . A . 69 THR MG . . A . 29 TYR HE2 . . . 69 . HG2# . . . . . 29 . HE# . . rr_1hfg 1
16 1 . . 1 1 42 42 PHE QD H . . . 1 1 25 25 LEU MD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 25 LEU MD2 . . A . 42 PHE QD . . . 25 . HD2# . . . . . 42 . HD# . . rr_1hfg 1
17 1 . . 1 1 42 42 PHE QD H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 4.5 . . . . . A . 25 LEU MD1 . . A . 42 PHE QD . . . 25 . HD1# . . . . . 42 . HD# . . rr_1hfg 1
18 1 . . 1 1 28 28 TRP HA H . . . 1 1 42 42 PHE QD H . . . . . 3.0 1.8 5.0 . . . . . A . 28 TRP HA . . A . 42 PHE QD . . . 28 . HA . . . . . 42 . HD# . . rr_1hfg 1
19 1 . . 1 1 50 50 VAL HB H . . . 1 1 42 42 PHE QD H . . . . . 4.0 1.8 5.0 . . . . . A . 50 VAL HB . . A . 42 PHE QD . . . 50 . HB . . . . . 42 . HD# . . rr_1hfg 1
20 1 . . 1 1 50 50 VAL MG1 H . . . 1 1 42 42 PHE QD H . . . . . 4.0 1.8 5.5 . . . . . A . 50 VAL MG1 . . A . 42 PHE QD . . . 50 . HG1# . . . . . 42 . HD# . . rr_1hfg 1
21 1 . . 1 1 52 52 ALA MB H . . . 1 1 42 42 PHE QD H . . . . . 3.0 1.8 4.5 . . . . . A . 52 ALA MB . . A . 42 PHE QD . . . 52 . HB# . . . . . 42 . HD# . . rr_1hfg 1
22 1 OR . 1 1 42 42 PHE QD H . . . 1 1 28 28 TRP HB3 H . . . . . 3.0 1.8 5.5 . . . . . A . 28 TRP HB3 . . A . 42 PHE QD . . . 28 . HB# . . . . . 42 . HD# . . rr_1hfg 1
22 2 OR . 1 1 28 28 TRP HB2 H . . . 1 1 42 42 PHE QD H . . . . . 3.0 1.8 5.5 . . . . . A . 28 TRP HB2 . . A . 42 PHE QD . . . 28 . HB# . . . . . 42 . HD# . . rr_1hfg 1
23 1 . . 1 1 52 52 ALA MB H . . . 1 1 42 42 PHE QE H . . . . . 3.0 1.8 4.5 . . . . . A . 52 ALA MB . . A . 42 PHE QE . . . 52 . HB# . . . . . 42 . HE# . . rr_1hfg 1
24 1 . . 1 1 59 59 VAL MG1 H . . . 1 1 42 42 PHE QE H . . . . . 2.4 1.6 3.9 . . . . . A . 59 VAL MG1 . . A . 42 PHE QE . . . 59 . HG1# . . . . . 42 . HE# . . rr_1hfg 1
25 1 . . 1 1 62 62 LEU MD2 H . . . 1 1 42 42 PHE QE H . . . . . 3.0 1.8 4.5 . . . . . A . 62 LEU MD2 . . A . 42 PHE QE . . . 62 . HD2# . . . . . 42 . HE# . . rr_1hfg 1
26 1 . . 1 1 62 62 LEU HB2 H . . . 1 1 42 42 PHE QE H . . . . . 3.0 1.8 4.5 . . . . . A . 62 LEU HB2 . . A . 42 PHE QE . . . 62 . HB2 . . . . . 42 . HE# . . rr_1hfg 1
27 1 OR . 1 1 42 42 PHE QE H . . . 1 1 63 63 MET HG3 H . . . . . 5.0 1.8 7.5 . . . . . A . 63 MET HG3 . . A . 42 PHE QE . . . 63 . HG# . . . . . 42 . HE# . . rr_1hfg 1
27 2 OR . 1 1 42 42 PHE QE H . . . 1 1 63 63 MET HG2 H . . . . . 5.0 1.8 7.5 . . . . . A . 63 MET HG2 . . A . 42 PHE QE . . . 63 . HG# . . . . . 42 . HE# . . rr_1hfg 1
28 1 OR . 1 1 42 42 PHE QD H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 6.5 . . . . . A . 66 LEU MD1 . . A . 42 PHE QD . . . 66 . HD# . . . . . 42 . HD# . . rr_1hfg 1
28 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 42 42 PHE QD H . . . . . 3.0 1.8 6.5 . . . . . A . 66 LEU MD2 . . A . 42 PHE QD . . . 66 . HD# . . . . . 42 . HD# . . rr_1hfg 1
29 1 OR . 1 1 42 42 PHE QE H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 6.5 . . . . . A . 66 LEU MD1 . . A . 42 PHE QE . . . 66 . HD# . . . . . 42 . HE# . . rr_1hfg 1
29 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 42 42 PHE QE H . . . . . 3.0 1.8 6.5 . . . . . A . 66 LEU MD2 . . A . 42 PHE QE . . . 66 . HD# . . . . . 42 . HE# . . rr_1hfg 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "Tyr 15" 1 1 1 8 rr_1hfg 1
2 "Tyr 29" 21 1 21 8 rr_1hfg 1
3 "Phe 42" 45 1 45 8 rr_1hfg 1
stop_
save_
save_CNS/XPLOR_distance_constraints_17
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_17
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 8
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 17
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 3 3 ALA HA H . . . 1 1 3 3 ALA H H . . . . . 3.0 1.8 3.5 . . . . . A . 3 ALA HA . . A . 3 ALA H . . . 3 . HA . . . . . 3 . HN . . rr_1hfg 2
2 1 . . 1 1 5 5 TRP H H . . . 1 1 5 5 TRP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 5 TRP HA . . A . 5 TRP H . . . 5 . HA . . . . . 5 . HN . . rr_1hfg 2
3 1 . . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 6 HIS HA . . A . 6 HIS H . . . 6 . HA . . . . . 6 . HN . . rr_1hfg 2
4 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 7 ARG HA . . A . 7 ARG H . . . 7 . HA . . . . . 7 . HN . . rr_1hfg 2
5 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ASP HA . . A . 9 ASP H . . . 9 . HA . . . . . 9 . HN . . rr_1hfg 2
6 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 10 LYS HA . . A . 10 LYS H . . . 10 . HA . . . . . 10 . HN . . rr_1hfg 2
7 1 . . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 11 CYS HA . . A . 11 CYS H . . . 11 . HA . . . . . 11 . HN . . rr_1hfg 2
8 1 . . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 13 LEU HA . . A . 13 LEU H . . . 13 . HA . . . . . 13 . HN . . rr_1hfg 2
9 1 OR . 1 1 14 14 GLY H H . . . 1 1 14 14 GLY HA3 H . . . . . 3.0 1.8 4.5 . . . . . A . 14 GLY HA3 . . A . 14 GLY H . . . 14 . HA# . . . . . 14 . HN . . rr_1hfg 2
9 2 OR . 1 1 14 14 GLY H H . . . 1 1 14 14 GLY HA2 H . . . . . 3.0 1.8 4.5 . . . . . A . 14 GLY HA2 . . A . 14 GLY H . . . 14 . HA# . . . . . 14 . HN . . rr_1hfg 2
10 1 . . 1 1 15 15 TYR HA H . . . 1 1 15 15 TYR H H . . . . . 4.0 1.8 5.0 . . . . . A . 15 TYR HA . . A . 15 TYR H . . . 15 . HA . . . . . 15 . HN . . rr_1hfg 2
11 1 . . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLN HA . . A . 16 GLN H . . . 16 . HA . . . . . 16 . HN . . rr_1hfg 2
12 1 . . 1 1 17 17 LYS HA H . . . 1 1 17 17 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 17 LYS HA . . A . 17 LYS H . . . 17 . HA . . . . . 17 . HN . . rr_1hfg 2
13 1 . . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 18 ARG HA . . A . 18 ARG H . . . 18 . HA . . . . . 18 . HN . . rr_1hfg 2
14 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HA H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HA . . A . 20 LEU H . . . 20 . HA . . . . . 20 . HN . . rr_1hfg 2
15 1 . . 1 1 22 22 GLN H H . . . 1 1 22 22 GLN HA H . . . . . 2.4 1.8 2.9 . . . . . A . 22 GLN HA . . A . 22 GLN H . . . 22 . HA . . . . . 22 . HN . . rr_1hfg 2
16 1 . . 1 1 23 23 VAL H H . . . 1 1 23 23 VAL HA H . . . . . 2.4 1.8 2.9 . . . . . A . 23 VAL HA . . A . 23 VAL H . . . 23 . HA . . . . . 23 . HN . . rr_1hfg 2
17 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 24 LEU HA . . A . 24 LEU H . . . 24 . HA . . . . . 24 . HN . . rr_1hfg 2
18 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 25 LEU HA . . A . 25 LEU H . . . 25 . HA . . . . . 25 . HN . . rr_1hfg 2
19 1 . . 1 1 27 27 SER H H . . . 1 1 27 27 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 27 SER HA . . A . 27 SER H . . . 27 . HA . . . . . 27 . HN . . rr_1hfg 2
20 1 . . 1 1 28 28 TRP HA H . . . 1 1 28 28 TRP H H . . . . . 3.0 1.8 3.5 . . . . . A . 28 TRP HA . . A . 28 TRP H . . . 28 . HA . . . . . 28 . HN . . rr_1hfg 2
21 1 . . 1 1 29 29 TYR H H . . . 1 1 29 29 TYR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 29 TYR HA . . A . 29 TYR H . . . 29 . HA . . . . . 29 . HN . . rr_1hfg 2
22 1 . . 1 1 31 31 THR H H . . . 1 1 31 31 THR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 31 THR HA . . A . 31 THR H . . . 31 . HA . . . . . 31 . HN . . rr_1hfg 2
23 1 . . 1 1 32 32 SER H H . . . 1 1 32 32 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 32 SER HA . . A . 32 SER H . . . 32 . HA . . . . . 32 . HN . . rr_1hfg 2
24 1 . . 1 1 33 33 GLN HA H . . . 1 1 33 33 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 33 GLN HA . . A . 33 GLN H . . . 33 . HA . . . . . 33 . HN . . rr_1hfg 2
25 1 . . 1 1 35 35 CYS H H . . . 1 1 35 35 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 35 CYS HA . . A . 35 CYS H . . . 35 . HA . . . . . 35 . HN . . rr_1hfg 2
26 1 . . 1 1 36 36 SER H H . . . 1 1 36 36 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 36 SER HA . . A . 36 SER H . . . 36 . HA . . . . . 36 . HN . . rr_1hfg 2
27 1 OR . 1 1 39 39 GLY H H . . . 1 1 39 39 GLY HA2 H . . . . . 3.0 1.8 4.5 . . . . . A . 39 GLY HA2 . . A . 39 GLY H . . . 39 . HA# . . . . . 39 . HN . . rr_1hfg 2
27 2 OR . 1 1 39 39 GLY H H . . . 1 1 39 39 GLY HA3 H . . . . . 3.0 1.8 4.5 . . . . . A . 39 GLY HA3 . . A . 39 GLY H . . . 39 . HA# . . . . . 39 . HN . . rr_1hfg 2
28 1 . . 1 1 41 41 ILE H H . . . 1 1 41 41 ILE HA H . . . . . 3.0 1.8 3.5 . . . . . A . 41 ILE HA . . A . 41 ILE H . . . 41 . HA . . . . . 41 . HN . . rr_1hfg 2
29 1 . . 1 1 42 42 PHE HA H . . . 1 1 42 42 PHE H H . . . . . 3.0 1.8 3.5 . . . . . A . 42 PHE HA . . A . 42 PHE H . . . 42 . HA . . . . . 42 . HN . . rr_1hfg 2
30 1 . . 1 1 43 43 LEU H H . . . 1 1 43 43 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 43 LEU HA . . A . 43 LEU H . . . 43 . HA . . . . . 43 . HN . . rr_1hfg 2
31 1 . . 1 1 44 44 THR HA H . . . 1 1 44 44 THR H H . . . . . 4.0 1.8 4.5 . . . . . A . 44 THR HA . . A . 44 THR H . . . 44 . HA . . . . . 44 . HN . . rr_1hfg 2
32 1 . . 1 1 45 45 LYS H H . . . 1 1 45 45 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 45 LYS HA . . A . 45 LYS H . . . 45 . HA . . . . . 45 . HN . . rr_1hfg 2
33 1 . . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HA H . . . . . 4.0 1.8 4.5 . . . . . A . 46 ARG HA . . A . 46 ARG H . . . 46 . HA . . . . . 46 . HN . . rr_1hfg 2
34 1 . . 1 1 47 47 GLY HA3 H . . . 1 1 47 47 GLY H H . . . . . 3.0 1.8 3.5 . . . . . A . 47 GLY HA3 . . A . 47 GLY H . . . 47 . HA1 . . . . . 47 . HN . . rr_1hfg 2
35 1 . . 1 1 47 47 GLY HA2 H . . . 1 1 47 47 GLY H H . . . . . 3.0 1.8 3.5 . . . . . A . 47 GLY HA2 . . A . 47 GLY H . . . 47 . HA2 . . . . . 47 . HN . . rr_1hfg 2
36 1 . . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 48 ARG HA . . A . 48 ARG H . . . 48 . HA . . . . . 48 . HN . . rr_1hfg 2
37 1 . . 1 1 49 49 GLN HA H . . . 1 1 49 49 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 49 GLN HA . . A . 49 GLN H . . . 49 . HA . . . . . 49 . HN . . rr_1hfg 2
38 1 . . 1 1 50 50 VAL H H . . . 1 1 50 50 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 50 VAL HA . . A . 50 VAL H . . . 50 . HA . . . . . 50 . HN . . rr_1hfg 2
39 1 . . 1 1 51 51 CYS HA H . . . 1 1 51 51 CYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 51 CYS HA . . A . 51 CYS H . . . 51 . HA . . . . . 51 . HN . . rr_1hfg 2
40 1 . . 1 1 52 52 ALA HA H . . . 1 1 52 52 ALA H H . . . . . 3.0 1.8 3.5 . . . . . A . 52 ALA HA . . A . 52 ALA H . . . 52 . HA . . . . . 52 . HN . . rr_1hfg 2
41 1 . . 1 1 53 53 ASP H H . . . 1 1 53 53 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 53 ASP HA . . A . 53 ASP H . . . 53 . HA . . . . . 53 . HN . . rr_1hfg 2
42 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 54 LYS HA . . A . 54 LYS H . . . 54 . HA . . . . . 54 . HN . . rr_1hfg 2
43 1 . . 1 1 55 55 SER H H . . . 1 1 55 55 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 55 SER HA . . A . 55 SER H . . . 55 . HA . . . . . 55 . HN . . rr_1hfg 2
44 1 . . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 56 LYS HA . . A . 56 LYS H . . . 56 . HA . . . . . 56 . HN . . rr_1hfg 2
45 1 . . 1 1 57 57 ASP HA H . . . 1 1 57 57 ASP H H . . . . . 3.0 1.8 3.5 . . . . . A . 57 ASP HA . . A . 57 ASP H . . . 57 . HA . . . . . 57 . HN . . rr_1hfg 2
46 1 . . 1 1 58 58 TRP HA H . . . 1 1 58 58 TRP H H . . . . . 3.0 1.8 3.5 . . . . . A . 58 TRP HA . . A . 58 TRP H . . . 58 . HA . . . . . 58 . HN . . rr_1hfg 2
47 1 . . 1 1 59 59 VAL H H . . . 1 1 59 59 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 59 VAL HA . . A . 59 VAL H . . . 59 . HA . . . . . 59 . HN . . rr_1hfg 2
48 1 . . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 60 LYS HA . . A . 60 LYS H . . . 60 . HA . . . . . 60 . HN . . rr_1hfg 2
49 1 . . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 61 LYS HA . . A . 61 LYS H . . . 61 . HA . . . . . 61 . HN . . rr_1hfg 2
50 1 . . 1 1 63 63 MET H H . . . 1 1 63 63 MET HA H . . . . . 3.0 1.8 3.5 . . . . . A . 63 MET HA . . A . 63 MET H . . . 63 . HA . . . . . 63 . HN . . rr_1hfg 2
51 1 . . 1 1 64 64 GLN H H . . . 1 1 64 64 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 64 GLN HA . . A . 64 GLN H . . . 64 . HA . . . . . 64 . HN . . rr_1hfg 2
52 1 . . 1 1 65 65 GLN H H . . . 1 1 65 65 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HA . . A . 65 GLN H . . . 65 . HA . . . . . 65 . HN . . rr_1hfg 2
53 1 . . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HA . . A . 66 LEU H . . . 66 . HA . . . . . 66 . HN . . rr_1hfg 2
54 1 . . 1 1 68 68 VAL HA H . . . 1 1 68 68 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 68 VAL HA . . A . 68 VAL H . . . 68 . HA . . . . . 68 . HN . . rr_1hfg 2
55 1 . . 1 1 69 69 THR H H . . . 1 1 69 69 THR HA H . . . . . 2.4 1.8 2.9 . . . . . A . 69 THR HA . . A . 69 THR H . . . 69 . HA . . . . . 69 . HN . . rr_1hfg 2
56 1 . . 1 1 71 71 ARG H H . . . 1 1 71 71 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 71 ARG HA . . A . 71 ARG H . . . 71 . HA . . . . . 71 . HN . . rr_1hfg 2
57 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 2.4 1.8 3.9 . . . . . A . 3 ALA MB . . A . 3 ALA H . . . 3 . HB# . . . . . 3 . HN . . rr_1hfg 2
58 1 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 4 SER HB2 . . A . 4 SER H . . . 4 . HB# . . . . . 4 . HN . . rr_1hfg 2
58 2 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 4 SER HB3 . . A . 4 SER H . . . 4 . HB# . . . . . 4 . HN . . rr_1hfg 2
59 1 OR . 1 1 5 5 TRP H H . . . 1 1 5 5 TRP HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 5 TRP HB2 . . A . 5 TRP H . . . 5 . HB# . . . . . 5 . HN . . rr_1hfg 2
59 2 OR . 1 1 5 5 TRP H H . . . 1 1 5 5 TRP HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 5 TRP HB3 . . A . 5 TRP H . . . 5 . HB# . . . . . 5 . HN . . rr_1hfg 2
60 1 OR . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 9 ASP HB2 . . A . 9 ASP H . . . 9 . HB# . . . . . 9 . HN . . rr_1hfg 2
60 2 OR . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 9 ASP HB3 . . A . 9 ASP H . . . 9 . HB# . . . . . 9 . HN . . rr_1hfg 2
61 1 . . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 6 HIS HB3 . . A . 6 HIS H . . . 6 . HB1 . . . . . 6 . HN . . rr_1hfg 2
62 1 . . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 6 HIS HB2 . . A . 6 HIS H . . . 6 . HB2 . . . . . 6 . HN . . rr_1hfg 2
63 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 10 LYS HB3 . . A . 10 LYS H . . . 10 . HB# . . . . . 10 . HN . . rr_1hfg 2
63 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 10 LYS HB2 . . A . 10 LYS H . . . 10 . HB# . . . . . 10 . HN . . rr_1hfg 2
64 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 11 CYS HB3 . . A . 11 CYS H . . . 11 . HB1 . . . . . 11 . HN . . rr_1hfg 2
65 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 11 CYS HB2 . . A . 11 CYS H . . . 11 . HB2 . . . . . 11 . HN . . rr_1hfg 2
66 1 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 13 LEU HB2 . . A . 13 LEU H . . . 13 . HB# . . . . . 13 . HN . . rr_1hfg 2
66 2 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 13 LEU HB3 . . A . 13 LEU H . . . 13 . HB# . . . . . 13 . HN . . rr_1hfg 2
67 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 15 15 TYR H H . . . . . 3.0 1.8 3.5 . . . . . A . 15 TYR HB2 . . A . 15 TYR H . . . 15 . HB2 . . . . . 15 . HN . . rr_1hfg 2
68 1 . . 1 1 15 15 TYR H H . . . 1 1 15 15 TYR HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 15 TYR HB3 . . A . 15 TYR H . . . 15 . HB1 . . . . . 15 . HN . . rr_1hfg 2
69 1 . . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLN HB3 . . A . 16 GLN H . . . 16 . HB1 . . . . . 16 . HN . . rr_1hfg 2
70 1 . . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLN HB2 . . A . 16 GLN H . . . 16 . HB2 . . . . . 16 . HN . . rr_1hfg 2
71 1 OR . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HB2 H . . . . . 3.5 1.8 5.0 . . . . . A . 17 LYS HB2 . . A . 17 LYS H . . . 17 . HB# . . . . . 17 . HN . . rr_1hfg 2
71 2 OR . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HB3 H . . . . . 3.5 1.8 5.0 . . . . . A . 17 LYS HB3 . . A . 17 LYS H . . . 17 . HB# . . . . . 17 . HN . . rr_1hfg 2
72 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HB3 . . A . 20 LEU H . . . 20 . HB1 . . . . . 20 . HN . . rr_1hfg 2
73 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 20 LEU HB2 . . A . 20 LEU H . . . 20 . HB2 . . . . . 20 . HN . . rr_1hfg 2
74 1 . . 1 1 22 22 GLN H H . . . 1 1 22 22 GLN HB3 H . . . . . 2.4 1.8 2.7 . . . . . A . 22 GLN HB3 . . A . 22 GLN H . . . 22 . HB1 . . . . . 22 . HN . . rr_1hfg 2
75 1 . . 1 1 23 23 VAL H H . . . 1 1 23 23 VAL HB H . . . . . 2.4 1.8 2.9 . . . . . A . 23 VAL HB . . A . 23 VAL H . . . 23 . HB . . . . . 23 . HN . . rr_1hfg 2
76 1 . . 1 1 25 25 LEU HB2 H . . . 1 1 25 25 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 25 LEU HB2 . . A . 25 LEU H . . . 25 . HB2 . . . . . 25 . HN . . rr_1hfg 2
77 1 . . 1 1 25 25 LEU HB3 H . . . 1 1 25 25 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 25 LEU HB3 . . A . 25 LEU H . . . 25 . HB1 . . . . . 25 . HN . . rr_1hfg 2
78 1 . . 1 1 26 26 SER H H . . . 1 1 26 26 SER HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 26 SER HB3 . . A . 26 SER H . . . 26 . HB1 . . . . . 26 . HN . . rr_1hfg 2
79 1 . . 1 1 26 26 SER H H . . . 1 1 26 26 SER HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 26 SER HB2 . . A . 26 SER H . . . 26 . HB2 . . . . . 26 . HN . . rr_1hfg 2
80 1 . . 1 1 27 27 SER H H . . . 1 1 27 27 SER HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 27 SER HB3 . . A . 27 SER H . . . 27 . HB1 . . . . . 27 . HN . . rr_1hfg 2
81 1 . . 1 1 27 27 SER H H . . . 1 1 27 27 SER HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 27 SER HB2 . . A . 27 SER H . . . 27 . HB2 . . . . . 27 . HN . . rr_1hfg 2
82 1 OR . 1 1 28 28 TRP H H . . . 1 1 28 28 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 28 TRP HB3 . . A . 28 TRP H . . . 28 . HB# . . . . . 28 . HN . . rr_1hfg 2
82 2 OR . 1 1 28 28 TRP HB2 H . . . 1 1 28 28 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 28 TRP HB2 . . A . 28 TRP H . . . 28 . HB# . . . . . 28 . HN . . rr_1hfg 2
83 1 . . 1 1 32 32 SER HB3 H . . . 1 1 32 32 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 32 SER HB3 . . A . 32 SER H . . . 32 . HB1 . . . . . 32 . HN . . rr_1hfg 2
84 1 . . 1 1 32 32 SER H H . . . 1 1 32 32 SER HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 32 SER HB2 . . A . 32 SER H . . . 32 . HB2 . . . . . 32 . HN . . rr_1hfg 2
85 1 . . 1 1 33 33 GLN H H . . . 1 1 33 33 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 33 GLN HB3 . . A . 33 GLN H . . . 33 . HB1 . . . . . 33 . HN . . rr_1hfg 2
86 1 . . 1 1 33 33 GLN H H . . . 1 1 33 33 GLN HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 33 GLN HB2 . . A . 33 GLN H . . . 33 . HB2 . . . . . 33 . HN . . rr_1hfg 2
87 1 OR . 1 1 34 34 LEU H H . . . 1 1 34 34 LEU HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 34 LEU HB2 . . A . 34 LEU H . . . 34 . HB# . . . . . 34 . HN . . rr_1hfg 2
87 2 OR . 1 1 34 34 LEU H H . . . 1 1 34 34 LEU HB3 H . . . . . 2.4 1.8 3.9 . . . . . A . 34 LEU HB3 . . A . 34 LEU H . . . 34 . HB# . . . . . 34 . HN . . rr_1hfg 2
88 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 35 35 CYS H H . . . . . 4.0 1.8 4.5 . . . . . A . 35 CYS HB3 . . A . 35 CYS H . . . 35 . HB1 . . . . . 35 . HN . . rr_1hfg 2
89 1 . . 1 1 35 35 CYS H H . . . 1 1 35 35 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 35 CYS HB2 . . A . 35 CYS H . . . 35 . HB2 . . . . . 35 . HN . . rr_1hfg 2
90 1 OR . 1 1 36 36 SER H H . . . 1 1 36 36 SER HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 36 SER HB2 . . A . 36 SER H . . . 36 . HB# . . . . . 36 . HN . . rr_1hfg 2
90 2 OR . 1 1 36 36 SER H H . . . 1 1 36 36 SER HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 36 SER HB3 . . A . 36 SER H . . . 36 . HB# . . . . . 36 . HN . . rr_1hfg 2
91 1 OR . 1 1 37 37 LYS H H . . . 1 1 37 37 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 37 LYS HB2 . . A . 37 LYS H . . . 37 . HB# . . . . . 37 . HN . . rr_1hfg 2
91 2 OR . 1 1 37 37 LYS HB3 H . . . 1 1 37 37 LYS H H . . . . . 3.0 1.8 4.5 . . . . . A . 37 LYS HB3 . . A . 37 LYS H . . . 37 . HB# . . . . . 37 . HN . . rr_1hfg 2
92 1 . . 1 1 40 40 VAL HB H . . . 1 1 40 40 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 40 VAL HB . . A . 40 VAL H . . . 40 . HB . . . . . 40 . HN . . rr_1hfg 2
93 1 . . 1 1 41 41 ILE H H . . . 1 1 41 41 ILE HB H . . . . . 3.0 1.8 3.5 . . . . . A . 41 ILE HB . . A . 41 ILE H . . . 41 . HB . . . . . 41 . HN . . rr_1hfg 2
94 1 . . 1 1 42 42 PHE HB2 H . . . 1 1 42 42 PHE H H . . . . . 3.0 1.8 3.5 . . . . . A . 42 PHE HB2 . . A . 42 PHE H . . . 42 . HB2 . . . . . 42 . HN . . rr_1hfg 2
95 1 . . 1 1 42 42 PHE HB3 H . . . 1 1 42 42 PHE H H . . . . . 4.0 1.8 4.5 . . . . . A . 42 PHE HB3 . . A . 42 PHE H . . . 42 . HB1 . . . . . 42 . HN . . rr_1hfg 2
96 1 OR . 1 1 43 43 LEU H H . . . 1 1 43 43 LEU HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 43 LEU HB2 . . A . 43 LEU H . . . 43 . HB# . . . . . 43 . HN . . rr_1hfg 2
96 2 OR . 1 1 43 43 LEU H H . . . 1 1 43 43 LEU HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 43 LEU HB3 . . A . 43 LEU H . . . 43 . HB# . . . . . 43 . HN . . rr_1hfg 2
97 1 . . 1 1 45 45 LYS H H . . . 1 1 45 45 LYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 45 LYS HB3 . . A . 45 LYS H . . . 45 . HB1 . . . . . 45 . HN . . rr_1hfg 2
98 1 . . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 46 ARG HB3 . . A . 46 ARG H . . . 46 . HB1 . . . . . 46 . HN . . rr_1hfg 2
99 1 . . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 46 ARG HB2 . . A . 46 ARG H . . . 46 . HB2 . . . . . 46 . HN . . rr_1hfg 2
100 1 . . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 48 ARG HB3 . . A . 48 ARG H . . . 48 . HB1 . . . . . 48 . HN . . rr_1hfg 2
101 1 . . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 48 ARG HB2 . . A . 48 ARG H . . . 48 . HB2 . . . . . 48 . HN . . rr_1hfg 2
102 1 . . 1 1 49 49 GLN HB3 H . . . 1 1 49 49 GLN H H . . . . . 4.0 1.8 4.5 . . . . . A . 49 GLN HB3 . . A . 49 GLN H . . . 49 . HB1 . . . . . 49 . HN . . rr_1hfg 2
103 1 . . 1 1 49 49 GLN HB2 H . . . 1 1 49 49 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 49 GLN HB2 . . A . 49 GLN H . . . 49 . HB2 . . . . . 49 . HN . . rr_1hfg 2
104 1 . . 1 1 50 50 VAL H H . . . 1 1 50 50 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . A . 50 VAL HB . . A . 50 VAL H . . . 50 . HB . . . . . 50 . HN . . rr_1hfg 2
105 1 . . 1 1 51 51 CYS HB3 H . . . 1 1 51 51 CYS H H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HB3 . . A . 51 CYS H . . . 51 . HB1 . . . . . 51 . HN . . rr_1hfg 2
106 1 . . 1 1 51 51 CYS HB2 H . . . 1 1 51 51 CYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 51 CYS HB2 . . A . 51 CYS H . . . 51 . HB2 . . . . . 51 . HN . . rr_1hfg 2
107 1 . . 1 1 52 52 ALA H H . . . 1 1 52 52 ALA MB H . . . . . 3.0 1.8 3.5 . . . . . A . 52 ALA MB . . A . 52 ALA H . . . 52 . HB# . . . . . 52 . HN . . rr_1hfg 2
108 1 . . 1 1 53 53 ASP H H . . . 1 1 53 53 ASP HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 53 ASP HB3 . . A . 53 ASP H . . . 53 . HB1 . . . . . 53 . HN . . rr_1hfg 2
109 1 . . 1 1 53 53 ASP H H . . . 1 1 53 53 ASP HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 53 ASP HB2 . . A . 53 ASP H . . . 53 . HB2 . . . . . 53 . HN . . rr_1hfg 2
110 1 OR . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HB3 H . . . . . 2.4 1.8 3.9 . . . . . A . 54 LYS HB3 . . A . 54 LYS H . . . 54 . HB# . . . . . 54 . HN . . rr_1hfg 2
110 2 OR . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 54 LYS HB2 . . A . 54 LYS H . . . 54 . HB# . . . . . 54 . HN . . rr_1hfg 2
111 1 . . 1 1 55 55 SER H H . . . 1 1 55 55 SER HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 55 SER HB3 . . A . 55 SER H . . . 55 . HB1 . . . . . 55 . HN . . rr_1hfg 2
112 1 . . 1 1 55 55 SER H H . . . 1 1 55 55 SER HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 55 SER HB2 . . A . 55 SER H . . . 55 . HB2 . . . . . 55 . HN . . rr_1hfg 2
113 1 OR . 1 1 57 57 ASP H H . . . 1 1 57 57 ASP HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 57 ASP HB2 . . A . 57 ASP H . . . 57 . HB# . . . . . 57 . HN . . rr_1hfg 2
113 2 OR . 1 1 57 57 ASP H H . . . 1 1 57 57 ASP HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 57 ASP HB3 . . A . 57 ASP H . . . 57 . HB# . . . . . 57 . HN . . rr_1hfg 2
114 1 . . 1 1 58 58 TRP H H . . . 1 1 58 58 TRP HB3 H . . . . . 2.4 1.8 2.9 . . . . . A . 58 TRP HB3 . . A . 58 TRP H . . . 58 . HB1 . . . . . 58 . HN . . rr_1hfg 2
115 1 . . 1 1 58 58 TRP H H . . . 1 1 58 58 TRP HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 58 TRP HB2 . . A . 58 TRP H . . . 58 . HB2 . . . . . 58 . HN . . rr_1hfg 2
116 1 . . 1 1 59 59 VAL HB H . . . 1 1 59 59 VAL H H . . . . . 2.4 1.8 2.9 . . . . . A . 59 VAL HB . . A . 59 VAL H . . . 59 . HB . . . . . 59 . HN . . rr_1hfg 2
117 1 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 60 LYS HB2 . . A . 60 LYS H . . . 60 . HB# . . . . . 60 . HN . . rr_1hfg 2
117 2 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HB3 H . . . . . 2.4 1.8 3.9 . . . . . A . 60 LYS HB3 . . A . 60 LYS H . . . 60 . HB# . . . . . 60 . HN . . rr_1hfg 2
118 1 . . 1 1 62 62 LEU HB3 H . . . 1 1 62 62 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 62 LEU HB3 . . A . 62 LEU H . . . 62 . HB1 . . . . . 62 . HN . . rr_1hfg 2
119 1 . . 1 1 62 62 LEU HB2 H . . . 1 1 62 62 LEU H H . . . . . 2.4 1.8 2.9 . . . . . A . 62 LEU HB2 . . A . 62 LEU H . . . 62 . HB2 . . . . . 62 . HN . . rr_1hfg 2
120 1 OR . 1 1 63 63 MET H H . . . 1 1 63 63 MET HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 63 MET HB2 . . A . 63 MET H . . . 63 . HB# . . . . . 63 . HN . . rr_1hfg 2
120 2 OR . 1 1 63 63 MET HB3 H . . . 1 1 63 63 MET H H . . . . . 2.4 1.8 3.9 . . . . . A . 63 MET HB3 . . A . 63 MET H . . . 63 . HB# . . . . . 63 . HN . . rr_1hfg 2
121 1 OR . 1 1 64 64 GLN H H . . . 1 1 64 64 GLN HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 64 GLN HB2 . . A . 64 GLN H . . . 64 . HB# . . . . . 64 . HN . . rr_1hfg 2
121 2 OR . 1 1 64 64 GLN H H . . . 1 1 64 64 GLN HB3 H . . . . . 2.4 1.8 3.9 . . . . . A . 64 GLN HB3 . . A . 64 GLN H . . . 64 . HB# . . . . . 64 . HN . . rr_1hfg 2
122 1 . . 1 1 65 65 GLN H H . . . 1 1 65 65 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HB3 . . A . 65 GLN H . . . 65 . HB1 . . . . . 65 . HN . . rr_1hfg 2
123 1 . . 1 1 65 65 GLN H H . . . 1 1 65 65 GLN HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HB2 . . A . 65 GLN H . . . 65 . HB2 . . . . . 65 . HN . . rr_1hfg 2
124 1 . . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 66 LEU HB3 . . A . 66 LEU H . . . 66 . HB1 . . . . . 66 . HN . . rr_1hfg 2
125 1 . . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB2 . . A . 66 LEU H . . . 66 . HB2 . . . . . 66 . HN . . rr_1hfg 2
126 1 . . 1 1 68 68 VAL H H . . . 1 1 68 68 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . A . 68 VAL HB . . A . 68 VAL H . . . 68 . HB . . . . . 68 . HN . . rr_1hfg 2
127 1 . . 1 1 69 69 THR H H . . . 1 1 69 69 THR HB H . . . . . 3.0 1.8 3.5 . . . . . A . 69 THR HB . . A . 69 THR H . . . 69 . HB . . . . . 69 . HN . . rr_1hfg 2
128 1 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 16 GLN HG2 . . A . 16 GLN H . . . 16 . HG# . . . . . 16 . HN . . rr_1hfg 2
128 2 OR . 1 1 16 16 GLN HG3 H . . . 1 1 16 16 GLN H H . . . . . 4.0 1.8 5.5 . . . . . A . 16 GLN HG3 . . A . 16 GLN H . . . 16 . HG# . . . . . 16 . HN . . rr_1hfg 2
129 1 OR . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 LYS HG2 . . A . 17 LYS H . . . 17 . HG# . . . . . 17 . HN . . rr_1hfg 2
129 2 OR . 1 1 17 17 LYS H H . . . 1 1 17 17 LYS HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 17 LYS HG3 . . A . 17 LYS H . . . 17 . HG# . . . . . 17 . HN . . rr_1hfg 2
130 1 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HG2 H . . . . . 2.4 1.8 3.9 . . . . . A . 18 ARG HG2 . . A . 18 ARG H . . . 18 . HG# . . . . . 18 . HN . . rr_1hfg 2
130 2 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HG3 H . . . . . 2.4 1.8 3.9 . . . . . A . 18 ARG HG3 . . A . 18 ARG H . . . 18 . HG# . . . . . 18 . HN . . rr_1hfg 2
131 1 . . 1 1 23 23 VAL H H . . . 1 1 23 23 VAL MG1 H . . . . . 2.4 1.8 3.4 . . . . . A . 23 VAL MG1 . . A . 23 VAL H . . . 23 . HG1# . . . . . 23 . HN . . rr_1hfg 2
132 1 . . 1 1 23 23 VAL H H . . . 1 1 23 23 VAL MG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 VAL MG2 . . A . 23 VAL H . . . 23 . HG2# . . . . . 23 . HN . . rr_1hfg 2
133 1 . . 1 1 31 31 THR MG H . . . 1 1 31 31 THR H H . . . . . 3.0 1.8 4.0 . . . . . A . 31 THR MG . . A . 31 THR H . . . 31 . HG2# . . . . . 31 . HN . . rr_1hfg 2
134 1 OR . 1 1 33 33 GLN H H . . . 1 1 33 33 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 33 GLN HG2 . . A . 33 GLN H . . . 33 . HG# . . . . . 33 . HN . . rr_1hfg 2
134 2 OR . 1 1 33 33 GLN H H . . . 1 1 33 33 GLN HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 33 GLN HG3 . . A . 33 GLN H . . . 33 . HG# . . . . . 33 . HN . . rr_1hfg 2
135 1 . . 1 1 40 40 VAL MG2 H . . . 1 1 40 40 VAL H H . . . . . 3.0 1.8 4.0 . . . . . A . 40 VAL MG2 . . A . 40 VAL H . . . 40 . HG2# . . . . . 40 . HN . . rr_1hfg 2
136 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 40 40 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 40 VAL MG1 . . A . 40 VAL H . . . 40 . HG1# . . . . . 40 . HN . . rr_1hfg 2
137 1 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 46 ARG HG2 . . A . 46 ARG H . . . 46 . HG# . . . . . 46 . HN . . rr_1hfg 2
137 2 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HG3 H . . . . . 3.0 1.8 4.5 . . . . . A . 46 ARG HG3 . . A . 46 ARG H . . . 46 . HG# . . . . . 46 . HN . . rr_1hfg 2
138 1 OR . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 48 ARG HG3 . . A . 48 ARG H . . . 48 . HG# . . . . . 48 . HN . . rr_1hfg 2
138 2 OR . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 48 ARG HG2 . . A . 48 ARG H . . . 48 . HG# . . . . . 48 . HN . . rr_1hfg 2
139 1 . . 1 1 49 49 GLN H H . . . 1 1 49 49 GLN HG3 H . . . . . 4.0 1.8 4.5 . . . . . A . 49 GLN HG3 . . A . 49 GLN H . . . 49 . HG1 . . . . . 49 . HN . . rr_1hfg 2
140 1 . . 1 1 49 49 GLN HG2 H . . . 1 1 49 49 GLN H H . . . . . 4.0 1.8 4.5 . . . . . A . 49 GLN HG2 . . A . 49 GLN H . . . 49 . HG2 . . . . . 49 . HN . . rr_1hfg 2
141 1 . . 1 1 49 49 GLN HB3 H . . . 1 1 49 49 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 49 GLN H . . A . 49 GLN HB3 . . . 49 . HN . . . . . 49 . HB1 . . rr_1hfg 2
142 1 . . 1 1 50 50 VAL MG2 H . . . 1 1 50 50 VAL H H . . . . . 3.0 1.8 4.0 . . . . . A . 50 VAL MG2 . . A . 50 VAL H . . . 50 . HG2# . . . . . 50 . HN . . rr_1hfg 2
143 1 . . 1 1 50 50 VAL MG1 H . . . 1 1 50 50 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 50 VAL MG1 . . A . 50 VAL H . . . 50 . HG1# . . . . . 50 . HN . . rr_1hfg 2
144 1 . . 1 1 59 59 VAL MG1 H . . . 1 1 59 59 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 59 VAL MG1 . . A . 59 VAL H . . . 59 . HG1# . . . . . 59 . HN . . rr_1hfg 2
145 1 . . 1 1 59 59 VAL MG2 H . . . 1 1 59 59 VAL H H . . . . . 3.0 1.8 4.0 . . . . . A . 59 VAL MG2 . . A . 59 VAL H . . . 59 . HG2# . . . . . 59 . HN . . rr_1hfg 2
146 1 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HG2 . . A . 60 LYS H . . . 60 . HG# . . . . . 60 . HN . . rr_1hfg 2
146 2 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HG3 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HG3 . . A . 60 LYS H . . . 60 . HG# . . . . . 60 . HN . . rr_1hfg 2
147 1 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 61 LYS HG2 . . A . 61 LYS H . . . 61 . HG# . . . . . 61 . HN . . rr_1hfg 2
147 2 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 61 LYS HG3 . . A . 61 LYS H . . . 61 . HG# . . . . . 61 . HN . . rr_1hfg 2
148 1 OR . 1 1 63 63 MET H H . . . 1 1 63 63 MET HG3 H . . . . . 2.4 1.6 3.9 . . . . . A . 63 MET HG3 . . A . 63 MET H . . . 63 . HG# . . . . . 63 . HN . . rr_1hfg 2
148 2 OR . 1 1 63 63 MET H H . . . 1 1 63 63 MET HG2 H . . . . . 2.4 1.6 3.9 . . . . . A . 63 MET HG2 . . A . 63 MET H . . . 63 . HG# . . . . . 63 . HN . . rr_1hfg 2
149 1 OR . 1 1 64 64 GLN H H . . . 1 1 64 64 GLN HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 64 GLN HG3 . . A . 64 GLN H . . . 64 . HG# . . . . . 64 . HN . . rr_1hfg 2
149 2 OR . 1 1 64 64 GLN H H . . . 1 1 64 64 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 64 GLN HG2 . . A . 64 GLN H . . . 64 . HG# . . . . . 64 . HN . . rr_1hfg 2
150 1 . . 1 1 65 65 GLN H H . . . 1 1 65 65 GLN HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HG3 . . A . 65 GLN H . . . 65 . HG1 . . . . . 65 . HN . . rr_1hfg 2
151 1 . . 1 1 65 65 GLN H H . . . 1 1 65 65 GLN HG2 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HG2 . . A . 65 GLN H . . . 65 . HG2 . . . . . 65 . HN . . rr_1hfg 2
152 1 . . 1 1 68 68 VAL MG1 H . . . 1 1 68 68 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 68 VAL MG1 . . A . 68 VAL H . . . 68 . HG1# . . . . . 68 . HN . . rr_1hfg 2
153 1 . . 1 1 68 68 VAL MG2 H . . . 1 1 68 68 VAL H H . . . . . 4.0 1.8 5.0 . . . . . A . 68 VAL MG2 . . A . 68 VAL H . . . 68 . HG2# . . . . . 68 . HN . . rr_1hfg 2
154 1 . . 1 1 69 69 THR H H . . . 1 1 69 69 THR MG H . . . . . 3.0 1.8 4.0 . . . . . A . 69 THR MG . . A . 69 THR H . . . 69 . HG2# . . . . . 69 . HN . . rr_1hfg 2
155 1 . . 1 1 5 5 TRP HD1 H . . . 1 1 5 5 TRP HE1 H . . . . . 2.4 1.8 2.9 . . . . . A . 5 TRP HD1 . . A . 5 TRP HE1 . . . 5 . HD1 . . . . . 5 . HE1 . . rr_1hfg 2
156 1 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 18 ARG HD2 . . A . 18 ARG H . . . 18 . HD# . . . . . 18 . HN . . rr_1hfg 2
156 2 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 18 ARG HD3 . . A . 18 ARG H . . . 18 . HD# . . . . . 18 . HN . . rr_1hfg 2
157 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU MD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU MD1 . . A . 20 LEU H . . . 20 . HD1# . . . . . 20 . HN . . rr_1hfg 2
158 1 OR . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 24 LEU MD1 . . A . 24 LEU H . . . 24 . HD# . . . . . 24 . HN . . rr_1hfg 2
158 2 OR . 1 1 24 24 LEU MD2 H . . . 1 1 24 24 LEU H H . . . . . 3.0 1.8 5.5 . . . . . A . 24 LEU MD2 . . A . 24 LEU H . . . 24 . HD# . . . . . 24 . HN . . rr_1hfg 2
159 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU MD2 . . A . 25 LEU H . . . 25 . HD2# . . . . . 25 . HN . . rr_1hfg 2
160 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU MD1 . . A . 25 LEU H . . . 25 . HD1# . . . . . 25 . HN . . rr_1hfg 2
161 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 28 28 TRP HD1 H . . . . . 2.4 1.8 2.9 . . . . . A . 28 TRP HD1 . . A . 28 TRP HE1 . . . 28 . HD1 . . . . . 28 . HE1 . . rr_1hfg 2
162 1 . . 1 1 28 28 TRP H H . . . 1 1 28 28 TRP HD1 H . . . . . 3.0 1.8 3.5 . . . . . A . 28 TRP HD1 . . A . 28 TRP H . . . 28 . HD1 . . . . . 28 . HN . . rr_1hfg 2
163 1 . . 1 1 34 34 LEU H H . . . 1 1 34 34 LEU MD1 H . . . . . 3.0 1.8 4.0 . . . . . A . 34 LEU MD1 . . A . 34 LEU H . . . 34 . HD1# . . . . . 34 . HN . . rr_1hfg 2
164 1 . . 1 1 34 34 LEU H H . . . 1 1 34 34 LEU MD2 H . . . . . 3.0 1.8 4.0 . . . . . A . 34 LEU MD2 . . A . 34 LEU H . . . 34 . HD2# . . . . . 34 . HN . . rr_1hfg 2
165 1 . . 1 1 43 43 LEU H H . . . 1 1 43 43 LEU MD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 43 LEU MD1 . . A . 43 LEU H . . . 43 . HD1# . . . . . 43 . HN . . rr_1hfg 2
166 1 . . 1 1 43 43 LEU H H . . . 1 1 43 43 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 43 LEU MD2 . . A . 43 LEU H . . . 43 . HD2# . . . . . 43 . HN . . rr_1hfg 2
167 1 . . 1 1 58 58 TRP HE1 H . . . 1 1 58 58 TRP HD1 H . . . . . 2.4 1.8 2.9 . . . . . A . 58 TRP HD1 . . A . 58 TRP HE1 . . . 58 . HD1 . . . . . 58 . HE1 . . rr_1hfg 2
168 1 . . 1 1 58 58 TRP H H . . . 1 1 58 58 TRP HD1 H . . . . . 2.4 1.8 2.9 . . . . . A . 58 TRP HD1 . . A . 58 TRP H . . . 58 . HD1 . . . . . 58 . HN . . rr_1hfg 2
169 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 28 28 TRP H H . . . . . 4.0 1.8 4.5 . . . . . A . 28 TRP HE1 . . A . 28 TRP H . . . 28 . HE1 . . . . . 28 . HN . . rr_1hfg 2
170 1 . . 1 1 5 5 TRP HA H . . . 1 1 5 5 TRP HE3 H . . . . . 4.0 1.8 4.5 . . . . . A . 5 TRP HA . . A . 5 TRP HE3 . . . 5 . HA . . . . . 5 . HE3 . . rr_1hfg 2
171 1 OR . 1 1 5 5 TRP HA H . . . 1 1 5 5 TRP HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 TRP HB2 . . A . 5 TRP HA . . . 5 . HB# . . . . . 5 . HA . . rr_1hfg 2
171 2 OR . 1 1 5 5 TRP HA H . . . 1 1 5 5 TRP HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 TRP HB3 . . A . 5 TRP HA . . . 5 . HB# . . . . . 5 . HA . . rr_1hfg 2
172 1 . . 1 1 5 5 TRP HE1 H . . . 1 1 5 5 TRP HZ2 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 TRP HZ2 . . A . 5 TRP HE1 . . . 5 . HZ2 . . . . . 5 . HE1 . . rr_1hfg 2
173 1 OR . 1 1 6 6 HIS HA H . . . 1 1 6 6 HIS HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 6 HIS HB2 . . A . 6 HIS HA . . . 6 . HB# . . . . . 6 . HA . . rr_1hfg 2
173 2 OR . 1 1 6 6 HIS HA H . . . 1 1 6 6 HIS HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 6 HIS HB3 . . A . 6 HIS HA . . . 6 . HB# . . . . . 6 . HA . . rr_1hfg 2
174 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 10 LYS HB3 . . A . 10 LYS HA . . . 10 . HB# . . . . . 10 . HA . . rr_1hfg 2
174 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 10 LYS HB2 . . A . 10 LYS HA . . . 10 . HB# . . . . . 10 . HA . . rr_1hfg 2
175 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HD2 . . A . 10 LYS HA . . . 10 . HD# . . . . . 10 . HA . . rr_1hfg 2
175 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HA H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HD3 . . A . 10 LYS HA . . . 10 . HD# . . . . . 10 . HA . . rr_1hfg 2
176 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HG2 . . A . 10 LYS HA . . . 10 . HG# . . . . . 10 . HA . . rr_1hfg 2
176 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 10 LYS HG3 . . A . 10 LYS HA . . . 10 . HG# . . . . . 10 . HA . . rr_1hfg 2
177 1 . . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 11 CYS HB2 . . A . 11 CYS HA . . . 11 . HB2 . . . . . 11 . HA . . rr_1hfg 2
178 1 . . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 11 CYS HB3 . . A . 11 CYS HA . . . 11 . HB1 . . . . . 11 . HA . . rr_1hfg 2
179 1 . . 1 1 15 15 TYR HA H . . . 1 1 15 15 TYR QD H . . . . . 2.4 1.8 4.9 . . . . . A . 15 TYR HA . . A . 15 TYR QD . . . 15 . HA . . . . . 15 . HD# . . rr_1hfg 2
180 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 15 15 TYR HA H . . . . . 4.0 1.8 4.5 . . . . . A . 15 TYR HB2 . . A . 15 TYR HA . . . 15 . HB2 . . . . . 15 . HA . . rr_1hfg 2
181 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 15 15 TYR QD H . . . . . 3.0 1.8 5.5 . . . . . A . 15 TYR HB2 . . A . 15 TYR QD . . . 15 . HB2 . . . . . 15 . HD# . . rr_1hfg 2
182 1 . . 1 1 15 15 TYR HA H . . . 1 1 15 15 TYR HB3 H . . . . . 2.4 1.2 2.9 . . . . . A . 15 TYR HB3 . . A . 15 TYR HA . . . 15 . HB1 . . . . . 15 . HA . . rr_1hfg 2
183 1 . . 1 1 15 15 TYR QD H . . . 1 1 15 15 TYR HB3 H . . . . . 3.0 1.8 5.5 . . . . . A . 15 TYR HB3 . . A . 15 TYR QD . . . 15 . HB1 . . . . . 15 . HD# . . rr_1hfg 2
184 1 . . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HB2 H . . . . . 2.4 1.8 2.9 . . . . . A . 16 GLN HB2 . . A . 16 GLN HA . . . 16 . HB2 . . . . . 16 . HA . . rr_1hfg 2
185 1 . . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLN HB3 . . A . 16 GLN HA . . . 16 . HB1 . . . . . 16 . HA . . rr_1hfg 2
186 1 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 16 GLN HG2 . . A . 16 GLN HA . . . 16 . HG# . . . . . 16 . HA . . rr_1hfg 2
186 2 OR . 1 1 16 16 GLN HG3 H . . . 1 1 16 16 GLN HA H . . . . . 3.0 1.8 4.5 . . . . . A . 16 GLN HG3 . . A . 16 GLN HA . . . 16 . HG# . . . . . 16 . HA . . rr_1hfg 2
187 1 OR . 1 1 17 17 LYS HA H . . . 1 1 17 17 LYS HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 17 LYS HG2 . . A . 17 LYS HA . . . 17 . HG# . . . . . 17 . HA . . rr_1hfg 2
187 2 OR . 1 1 17 17 LYS HA H . . . 1 1 17 17 LYS HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 17 LYS HG3 . . A . 17 LYS HA . . . 17 . HG# . . . . . 17 . HA . . rr_1hfg 2
188 1 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 18 ARG HG2 . . A . 18 ARG HA . . . 18 . HG# . . . . . 18 . HA . . rr_1hfg 2
188 2 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HG3 H . . . . . 3.0 1.8 4.5 . . . . . A . 18 ARG HG3 . . A . 18 ARG HA . . . 18 . HG# . . . . . 18 . HA . . rr_1hfg 2
189 1 . . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 20 LEU HB3 . . A . 20 LEU HA . . . 20 . HB1 . . . . . 20 . HA . . rr_1hfg 2
190 1 . . 1 1 20 20 LEU HB2 H . . . 1 1 20 20 LEU HA H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HB2 . . A . 20 LEU HA . . . 20 . HB2 . . . . . 20 . HA . . rr_1hfg 2
191 1 . . 1 1 21 21 PRO HA H . . . 1 1 21 21 PRO HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 21 PRO HB3 . . A . 21 PRO HA . . . 21 . HB1 . . . . . 21 . HA . . rr_1hfg 2
192 1 . . 1 1 22 22 GLN HA H . . . 1 1 22 22 GLN HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 22 GLN HB3 . . A . 22 GLN HA . . . 22 . HB1 . . . . . 22 . HA . . rr_1hfg 2
193 1 . . 1 1 22 22 GLN HB2 H . . . 1 1 22 22 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 22 GLN HB2 . . A . 22 GLN HA . . . 22 . HB2 . . . . . 22 . HA . . rr_1hfg 2
194 1 OR . 1 1 22 22 GLN HA H . . . 1 1 22 22 GLN HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 22 GLN HG2 . . A . 22 GLN HA . . . 22 . HG# . . . . . 22 . HA . . rr_1hfg 2
194 2 OR . 1 1 22 22 GLN HG3 H . . . 1 1 22 22 GLN HA H . . . . . 3.0 1.8 4.5 . . . . . A . 22 GLN HG3 . . A . 22 GLN HA . . . 22 . HG# . . . . . 22 . HA . . rr_1hfg 2
195 1 . . 1 1 23 23 VAL HA H . . . 1 1 23 23 VAL HB H . . . . . 2.4 1.8 2.9 . . . . . A . 23 VAL HB . . A . 23 VAL HA . . . 23 . HB . . . . . 23 . HA . . rr_1hfg 2
196 1 . . 1 1 23 23 VAL HA H . . . 1 1 23 23 VAL MG1 H . . . . . 3.0 1.8 4.0 . . . . . A . 23 VAL MG1 . . A . 23 VAL HA . . . 23 . HG1# . . . . . 23 . HA . . rr_1hfg 2
197 1 . . 1 1 23 23 VAL HA H . . . 1 1 23 23 VAL MG2 H . . . . . 2.4 1.8 3.4 . . . . . A . 23 VAL MG2 . . A . 23 VAL HA . . . 23 . HG2# . . . . . 23 . HA . . rr_1hfg 2
198 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 25 LEU HB2 . . A . 25 LEU HA . . . 25 . HB2 . . . . . 25 . HA . . rr_1hfg 2
199 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 25 LEU HB3 . . A . 25 LEU HA . . . 25 . HB1 . . . . . 25 . HA . . rr_1hfg 2
200 1 . . 1 1 25 25 LEU HB2 H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 3.5 . . . . . A . 25 LEU HB2 . . A . 25 LEU MD1 . . . 25 . HB2 . . . . . 25 . HD1# . . rr_1hfg 2
201 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU MD2 . . A . 25 LEU HA . . . 25 . HD2# . . . . . 25 . HA . . rr_1hfg 2
202 1 . . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU MD1 H . . . . . 2.4 1.8 3.4 . . . . . A . 25 LEU MD1 . . A . 25 LEU HA . . . 25 . HD1# . . . . . 25 . HA . . rr_1hfg 2
203 1 . . 1 1 27 27 SER HA H . . . 1 1 27 27 SER HB3 H . . . . . 2.4 1.8 2.9 . . . . . A . 27 SER HB3 . . A . 27 SER HA . . . 27 . HB1 . . . . . 27 . HA . . rr_1hfg 2
204 1 . . 1 1 27 27 SER HA H . . . 1 1 27 27 SER HB2 H . . . . . 2.4 1.8 2.9 . . . . . A . 27 SER HB2 . . A . 27 SER HA . . . 27 . HB2 . . . . . 27 . HA . . rr_1hfg 2
205 1 . . 1 1 28 28 TRP HA H . . . 1 1 28 28 TRP HD1 H . . . . . 4.0 1.8 4.5 . . . . . A . 28 TRP HA . . A . 28 TRP HD1 . . . 28 . HA . . . . . 28 . HD1 . . rr_1hfg 2
206 1 . . 1 1 28 28 TRP HA H . . . 1 1 28 28 TRP HB3 H . . . . . 2.4 1.8 2.9 . . . . . A . 28 TRP HB3 . . A . 28 TRP HA . . . 28 . HB1 . . . . . 28 . HA . . rr_1hfg 2
207 1 . . 1 1 28 28 TRP HB2 H . . . 1 1 28 28 TRP HA H . . . . . 2.4 1.8 2.9 . . . . . A . 28 TRP HB2 . . A . 28 TRP HA . . . 28 . HB2 . . . . . 28 . HA . . rr_1hfg 2
208 1 OR . 1 1 28 28 TRP HE3 H . . . 1 1 28 28 TRP HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 28 TRP HB3 . . A . 28 TRP HE3 . . . 28 . HB# . . . . . 28 . HE3 . . rr_1hfg 2
208 2 OR . 1 1 28 28 TRP HE3 H . . . 1 1 28 28 TRP HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 28 TRP HB2 . . A . 28 TRP HE3 . . . 28 . HB# . . . . . 28 . HE3 . . rr_1hfg 2
209 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 28 28 TRP HZ2 H . . . . . 2.4 1.8 2.9 . . . . . A . 28 TRP HZ2 . . A . 28 TRP HE1 . . . 28 . HZ2 . . . . . 28 . HE1 . . rr_1hfg 2
210 1 OR . 1 1 29 29 TYR HD1 H . . . 1 1 29 29 TYR HA H . . . . . 3.0 1.8 5.8 . . . . . A . 29 TYR HA . . A . 29 TYR HD1 . . . 29 . HA . . . . . 29 . HD# . . rr_1hfg 2
210 2 OR . 1 1 29 29 TYR HA H . . . 1 1 29 29 TYR HD2 H . . . . . 3.0 1.8 5.8 . . . . . A . 29 TYR HA . . A . 29 TYR HD2 . . . 29 . HA . . . . . 29 . HD# . . rr_1hfg 2
211 1 OR . 1 1 29 29 TYR HE1 H . . . 1 1 29 29 TYR HA H . . . . . 4.0 1.8 6.8 . . . . . A . 29 TYR HA . . A . 29 TYR HE1 . . . 29 . HA . . . . . 29 . HE# . . rr_1hfg 2
211 2 OR . 1 1 29 29 TYR HE2 H . . . 1 1 29 29 TYR HA H . . . . . 4.0 1.8 6.8 . . . . . A . 29 TYR HA . . A . 29 TYR HE2 . . . 29 . HA . . . . . 29 . HE# . . rr_1hfg 2
212 1 . . 1 1 29 29 TYR HB3 H . . . 1 1 29 29 TYR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 29 TYR HB3 . . A . 29 TYR HA . . . 29 . HB1 . . . . . 29 . HA . . rr_1hfg 2
213 1 . . 1 1 29 29 TYR HB2 H . . . 1 1 29 29 TYR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 29 TYR HB2 . . A . 29 TYR HA . . . 29 . HB2 . . . . . 29 . HA . . rr_1hfg 2
214 1 OR . 1 1 29 29 TYR HB3 H . . . 1 1 29 29 TYR HD1 H . . . . . 3.0 1.8 5.8 . . . . . A . 29 TYR HB3 . . A . 29 TYR HD1 . . . 29 . HB1 . . . . . 29 . HD# . . rr_1hfg 2
214 2 OR . 1 1 29 29 TYR HB3 H . . . 1 1 29 29 TYR HD2 H . . . . . 3.0 1.8 5.8 . . . . . A . 29 TYR HB3 . . A . 29 TYR HD2 . . . 29 . HB1 . . . . . 29 . HD# . . rr_1hfg 2
215 1 OR . 1 1 29 29 TYR HB3 H . . . 1 1 29 29 TYR HE2 H . . . . . 4.0 1.8 6.8 . . . . . A . 29 TYR HB3 . . A . 29 TYR HE2 . . . 29 . HB1 . . . . . 29 . HE# . . rr_1hfg 2
215 2 OR . 1 1 29 29 TYR HB3 H . . . 1 1 29 29 TYR HE1 H . . . . . 4.0 1.8 6.8 . . . . . A . 29 TYR HB3 . . A . 29 TYR HE1 . . . 29 . HB1 . . . . . 29 . HE# . . rr_1hfg 2
216 1 OR . 1 1 29 29 TYR HB2 H . . . 1 1 29 29 TYR HD1 H . . . . . 3.0 1.8 5.8 . . . . . A . 29 TYR HB2 . . A . 29 TYR HD1 . . . 29 . HB2 . . . . . 29 . HD# . . rr_1hfg 2
216 2 OR . 1 1 29 29 TYR HB2 H . . . 1 1 29 29 TYR HD2 H . . . . . 3.0 1.8 5.8 . . . . . A . 29 TYR HB2 . . A . 29 TYR HD2 . . . 29 . HB2 . . . . . 29 . HD# . . rr_1hfg 2
217 1 . . 1 1 30 30 PRO HA H . . . 1 1 30 30 PRO HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 30 PRO HB3 . . A . 30 PRO HA . . . 30 . HB1 . . . . . 30 . HA . . rr_1hfg 2
218 1 . . 1 1 30 30 PRO HA H . . . 1 1 30 30 PRO HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 30 PRO HB2 . . A . 30 PRO HA . . . 30 . HB2 . . . . . 30 . HA . . rr_1hfg 2
219 1 OR . 1 1 30 30 PRO HA H . . . 1 1 30 30 PRO HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 30 PRO HG2 . . A . 30 PRO HA . . . 30 . HG# . . . . . 30 . HA . . rr_1hfg 2
219 2 OR . 1 1 30 30 PRO HA H . . . 1 1 30 30 PRO HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 30 PRO HG3 . . A . 30 PRO HA . . . 30 . HG# . . . . . 30 . HA . . rr_1hfg 2
220 1 . . 1 1 31 31 THR HB H . . . 1 1 31 31 THR HA H . . . . . 2.4 1.8 2.9 . . . . . A . 31 THR HA . . A . 31 THR HB . . . 31 . HA . . . . . 31 . HB . . rr_1hfg 2
221 1 . . 1 1 31 31 THR MG H . . . 1 1 31 31 THR HA H . . . . . 2.4 1.8 3.9 . . . . . A . 31 THR MG . . A . 31 THR HA . . . 31 . HG2# . . . . . 31 . HA . . rr_1hfg 2
222 1 . . 1 1 31 31 THR HB H . . . 1 1 31 31 THR MG H . . . . . 2.4 1.8 3.9 . . . . . A . 31 THR MG . . A . 31 THR HB . . . 31 . HG2# . . . . . 31 . HB . . rr_1hfg 2
223 1 . . 1 1 33 33 GLN HA H . . . 1 1 33 33 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 33 GLN HB3 . . A . 33 GLN HA . . . 33 . HB1 . . . . . 33 . HA . . rr_1hfg 2
224 1 OR . 1 1 34 34 LEU HA H . . . 1 1 34 34 LEU HB2 H . . . . . 2.4 1.6 3.9 . . . . . A . 34 LEU HB2 . . A . 34 LEU HA . . . 34 . HB# . . . . . 34 . HA . . rr_1hfg 2
224 2 OR . 1 1 34 34 LEU HA H . . . 1 1 34 34 LEU HB3 H . . . . . 2.4 1.6 3.9 . . . . . A . 34 LEU HB3 . . A . 34 LEU HA . . . 34 . HB# . . . . . 34 . HA . . rr_1hfg 2
225 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 35 35 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 35 CYS HB3 . . A . 35 CYS HA . . . 35 . HB1 . . . . . 35 . HA . . rr_1hfg 2
226 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 35 35 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 35 CYS HB2 . . A . 35 CYS HA . . . 35 . HB2 . . . . . 35 . HA . . rr_1hfg 2
227 1 OR . 1 1 36 36 SER HA H . . . 1 1 36 36 SER HB2 H . . . . . 2.4 1.6 3.9 . . . . . A . 36 SER HB2 . . A . 36 SER HA . . . 36 . HB# . . . . . 36 . HA . . rr_1hfg 2
227 2 OR . 1 1 36 36 SER HA H . . . 1 1 36 36 SER HB3 H . . . . . 2.4 1.6 3.9 . . . . . A . 36 SER HB3 . . A . 36 SER HA . . . 36 . HB# . . . . . 36 . HA . . rr_1hfg 2
228 1 OR . 1 1 37 37 LYS HA H . . . 1 1 37 37 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 37 LYS HB2 . . A . 37 LYS HA . . . 37 . HB# . . . . . 37 . HA . . rr_1hfg 2
228 2 OR . 1 1 37 37 LYS HB3 H . . . 1 1 37 37 LYS HA H . . . . . 3.0 1.8 4.5 . . . . . A . 37 LYS HB3 . . A . 37 LYS HA . . . 37 . HB# . . . . . 37 . HA . . rr_1hfg 2
229 1 . . 1 1 38 38 PRO HB2 H . . . 1 1 38 38 PRO HA H . . . . . 3.0 1.8 3.5 . . . . . A . 38 PRO HB2 . . A . 38 PRO HA . . . 38 . HB2 . . . . . 38 . HA . . rr_1hfg 2
230 1 . . 1 1 38 38 PRO HA H . . . 1 1 38 38 PRO HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 38 PRO HB3 . . A . 38 PRO HA . . . 38 . HB1 . . . . . 38 . HA . . rr_1hfg 2
231 1 OR . 1 1 38 38 PRO HB3 H . . . 1 1 38 38 PRO HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 38 PRO HB3 . . A . 38 PRO HD2 . . . 38 . HB1 . . . . . 38 . HD# . . rr_1hfg 2
231 2 OR . 1 1 38 38 PRO HB3 H . . . 1 1 38 38 PRO HD3 H . . . . . 3.0 1.8 4.5 . . . . . A . 38 PRO HB3 . . A . 38 PRO HD3 . . . 38 . HB1 . . . . . 38 . HD# . . rr_1hfg 2
232 1 OR . 1 1 38 38 PRO HA H . . . 1 1 38 38 PRO HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 38 PRO HG2 . . A . 38 PRO HA . . . 38 . HG# . . . . . 38 . HA . . rr_1hfg 2
232 2 OR . 1 1 38 38 PRO HA H . . . 1 1 38 38 PRO HG3 H . . . . . 3.0 1.8 4.5 . . . . . A . 38 PRO HG3 . . A . 38 PRO HA . . . 38 . HG# . . . . . 38 . HA . . rr_1hfg 2
233 1 . . 1 1 40 40 VAL HB H . . . 1 1 40 40 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 40 VAL HB . . A . 40 VAL HA . . . 40 . HB . . . . . 40 . HA . . rr_1hfg 2
234 1 . . 1 1 40 40 VAL MG2 H . . . 1 1 40 40 VAL HA H . . . . . 3.0 1.8 4.0 . . . . . A . 40 VAL MG2 . . A . 40 VAL HA . . . 40 . HG2# . . . . . 40 . HA . . rr_1hfg 2
235 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 40 40 VAL HA H . . . . . 3.0 1.8 4.0 . . . . . A . 40 VAL MG1 . . A . 40 VAL HA . . . 40 . HG1# . . . . . 40 . HA . . rr_1hfg 2
236 1 . . 1 1 41 41 ILE HA H . . . 1 1 41 41 ILE HB H . . . . . 3.0 1.8 3.5 . . . . . A . 41 ILE HB . . A . 41 ILE HA . . . 41 . HB . . . . . 41 . HA . . rr_1hfg 2
237 1 OR . 1 1 41 41 ILE HA H . . . 1 1 41 41 ILE HG12 H . . . . . 3.0 1.8 4.0 . . . . . A . 41 ILE HG12 . . A . 41 ILE HA . . . 41 . HG1# . . . . . 41 . HA . . rr_1hfg 2
237 2 OR . 1 1 41 41 ILE HA H . . . 1 1 41 41 ILE HG13 H . . . . . 3.0 1.8 4.0 . . . . . A . 41 ILE HG13 . . A . 41 ILE HA . . . 41 . HG1# . . . . . 41 . HA . . rr_1hfg 2
238 1 . . 1 1 41 41 ILE HA H . . . 1 1 41 41 ILE MG H . . . . . 3.0 1.8 4.0 . . . . . A . 41 ILE MG . . A . 41 ILE HA . . . 41 . HG2# . . . . . 41 . HA . . rr_1hfg 2
239 1 . . 1 1 42 42 PHE HA H . . . 1 1 42 42 PHE HB3 H . . . . . 2.4 1.6 2.9 . . . . . A . 42 PHE HB3 . . A . 42 PHE HA . . . 42 . HB1 . . . . . 42 . HA . . rr_1hfg 2
240 1 . . 1 1 42 42 PHE HA H . . . 1 1 42 42 PHE HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 42 PHE HB2 . . A . 42 PHE HA . . . 42 . HB2 . . . . . 42 . HA . . rr_1hfg 2
241 1 . . 1 1 42 42 PHE HA H . . . 1 1 42 42 PHE QD H . . . . . 2.4 1.8 4.9 . . . . . A . 42 PHE HA . . A . 42 PHE QD . . . 42 . HA . . . . . 42 . HD# . . rr_1hfg 2
242 1 . . 1 1 42 42 PHE HB2 H . . . 1 1 42 42 PHE QD H . . . . . 3.0 1.8 5.5 . . . . . A . 42 PHE HB2 . . A . 42 PHE QD . . . 42 . HB2 . . . . . 42 . HD# . . rr_1hfg 2
243 1 . . 1 1 42 42 PHE HB2 H . . . 1 1 42 42 PHE QE H . . . . . 4.0 1.8 6.5 . . . . . A . 42 PHE HB2 . . A . 42 PHE QE . . . 42 . HB2 . . . . . 42 . HE# . . rr_1hfg 2
244 1 . . 1 1 42 42 PHE HB3 H . . . 1 1 42 42 PHE QD H . . . . . 3.0 1.8 5.5 . . . . . A . 42 PHE HB3 . . A . 42 PHE QD . . . 42 . HB1 . . . . . 42 . HD# . . rr_1hfg 2
245 1 OR . 1 1 43 43 LEU HA H . . . 1 1 43 43 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD2 . . A . 43 LEU HA . . . 43 . HD# . . . . . 43 . HA . . rr_1hfg 2
245 2 OR . 1 1 43 43 LEU HA H . . . 1 1 43 43 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 43 LEU MD1 . . A . 43 LEU HA . . . 43 . HD# . . . . . 43 . HA . . rr_1hfg 2
246 1 . . 1 1 44 44 THR HA H . . . 1 1 44 44 THR HB H . . . . . 2.4 1.8 2.9 . . . . . A . 44 THR HB . . A . 44 THR HA . . . 44 . HB . . . . . 44 . HA . . rr_1hfg 2
247 1 . . 1 1 44 44 THR HA H . . . 1 1 44 44 THR MG H . . . . . 2.4 1.8 3.4 . . . . . A . 44 THR MG . . A . 44 THR HA . . . 44 . HG2# . . . . . 44 . HA . . rr_1hfg 2
248 1 . . 1 1 45 45 LYS HA H . . . 1 1 45 45 LYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 45 LYS HB2 . . A . 45 LYS HA . . . 45 . HB2 . . . . . 45 . HA . . rr_1hfg 2
249 1 . . 1 1 45 45 LYS HA H . . . 1 1 45 45 LYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 45 LYS HB3 . . A . 45 LYS HA . . . 45 . HB1 . . . . . 45 . HA . . rr_1hfg 2
250 1 . . 1 1 45 45 LYS HG2 H . . . 1 1 45 45 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 45 LYS HG2 . . A . 45 LYS HA . . . 45 . HG2 . . . . . 45 . HA . . rr_1hfg 2
251 1 . . 1 1 45 45 LYS HA H . . . 1 1 45 45 LYS HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 45 LYS HG3 . . A . 45 LYS HA . . . 45 . HG1 . . . . . 45 . HA . . rr_1hfg 2
252 1 . . 1 1 46 46 ARG HB3 H . . . 1 1 46 46 ARG HA H . . . . . 4.0 1.8 4.5 . . . . . A . 46 ARG HB3 . . A . 46 ARG HA . . . 46 . HB1 . . . . . 46 . HA . . rr_1hfg 2
253 1 . . 1 1 46 46 ARG HA H . . . 1 1 46 46 ARG HB2 H . . . . . 2.4 1.8 2.9 . . . . . A . 46 ARG HB2 . . A . 46 ARG HA . . . 46 . HB2 . . . . . 46 . HA . . rr_1hfg 2
254 1 . . 1 1 48 48 ARG HA H . . . 1 1 48 48 ARG HB3 H . . . . . 2.4 1.2 2.9 . . . . . A . 48 ARG HB3 . . A . 48 ARG HA . . . 48 . HB1 . . . . . 48 . HA . . rr_1hfg 2
255 1 . . 1 1 48 48 ARG HA H . . . 1 1 48 48 ARG HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 48 ARG HB2 . . A . 48 ARG HA . . . 48 . HB2 . . . . . 48 . HA . . rr_1hfg 2
256 1 . . 1 1 48 48 ARG HA H . . . 1 1 48 48 ARG HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 48 ARG HG3 . . A . 48 ARG HA . . . 48 . HG1 . . . . . 48 . HA . . rr_1hfg 2
257 1 . . 1 1 48 48 ARG HA H . . . 1 1 48 48 ARG HG2 H . . . . . 3.0 1.8 3.5 . . . . . A . 48 ARG HG2 . . A . 48 ARG HA . . . 48 . HG2 . . . . . 48 . HA . . rr_1hfg 2
258 1 . . 1 1 49 49 GLN HA H . . . 1 1 49 49 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 49 GLN HB3 . . A . 49 GLN HA . . . 49 . HB1 . . . . . 49 . HA . . rr_1hfg 2
259 1 . . 1 1 49 49 GLN HA H . . . 1 1 49 49 GLN HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 49 GLN HB2 . . A . 49 GLN HA . . . 49 . HB2 . . . . . 49 . HA . . rr_1hfg 2
260 1 . . 1 1 49 49 GLN HA H . . . 1 1 49 49 GLN HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 49 GLN HG3 . . A . 49 GLN HA . . . 49 . HG1 . . . . . 49 . HA . . rr_1hfg 2
261 1 . . 1 1 49 49 GLN HA H . . . 1 1 49 49 GLN HG2 H . . . . . 3.0 1.8 3.5 . . . . . A . 49 GLN HG2 . . A . 49 GLN HA . . . 49 . HG2 . . . . . 49 . HA . . rr_1hfg 2
262 1 . . 1 1 50 50 VAL HB H . . . 1 1 50 50 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 50 VAL HB . . A . 50 VAL HA . . . 50 . HB . . . . . 50 . HA . . rr_1hfg 2
263 1 . . 1 1 50 50 VAL MG2 H . . . 1 1 50 50 VAL HA H . . . . . 3.0 1.8 4.5 . . . . . A . 50 VAL MG2 . . A . 50 VAL HA . . . 50 . HG2# . . . . . 50 . HA . . rr_1hfg 2
264 1 . . 1 1 51 51 CYS HA H . . . 1 1 51 51 CYS HB3 H . . . . . 2.4 1.8 2.9 . . . . . A . 51 CYS HB3 . . A . 51 CYS HA . . . 51 . HB1 . . . . . 51 . HA . . rr_1hfg 2
265 1 . . 1 1 51 51 CYS HA H . . . 1 1 51 51 CYS HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HB2 . . A . 51 CYS HA . . . 51 . HB2 . . . . . 51 . HA . . rr_1hfg 2
266 1 . . 1 1 52 52 ALA HA H . . . 1 1 52 52 ALA MB H . . . . . 2.4 1.8 3.9 . . . . . A . 52 ALA MB . . A . 52 ALA HA . . . 52 . HB# . . . . . 52 . HA . . rr_1hfg 2
267 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP HB3 H . . . . . 2.4 1.8 2.9 . . . . . A . 53 ASP HB3 . . A . 53 ASP HA . . . 53 . HB1 . . . . . 53 . HA . . rr_1hfg 2
268 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 53 ASP HB2 . . A . 53 ASP HA . . . 53 . HB2 . . . . . 53 . HA . . rr_1hfg 2
269 1 . . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 54 LYS HB3 . . A . 54 LYS HA . . . 54 . HB1 . . . . . 54 . HA . . rr_1hfg 2
270 1 . . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 54 LYS HB2 . . A . 54 LYS HA . . . 54 . HB2 . . . . . 54 . HA . . rr_1hfg 2
271 1 . . 1 1 55 55 SER HA H . . . 1 1 55 55 SER HB3 H . . . . . 2.4 1.8 2.9 . . . . . A . 55 SER HB3 . . A . 55 SER HA . . . 55 . HB1 . . . . . 55 . HA . . rr_1hfg 2
272 1 . . 1 1 55 55 SER HA H . . . 1 1 55 55 SER HB2 H . . . . . 2.4 1.8 2.9 . . . . . A . 55 SER HB2 . . A . 55 SER HA . . . 55 . HB2 . . . . . 55 . HA . . rr_1hfg 2
273 1 OR . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB2 . . A . 56 LYS HA . . . 56 . HB# . . . . . 56 . HA . . rr_1hfg 2
273 2 OR . 1 1 56 56 LYS HB3 H . . . 1 1 56 56 LYS HA H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB3 . . A . 56 LYS HA . . . 56 . HB# . . . . . 56 . HA . . rr_1hfg 2
274 1 OR . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HG2 . . A . 56 LYS HA . . . 56 . HG# . . . . . 56 . HA . . rr_1hfg 2
274 2 OR . 1 1 56 56 LYS HG3 H . . . 1 1 56 56 LYS HA H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HG3 . . A . 56 LYS HA . . . 56 . HG# . . . . . 56 . HA . . rr_1hfg 2
275 1 OR . 1 1 57 57 ASP HA H . . . 1 1 57 57 ASP HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 57 ASP HB2 . . A . 57 ASP HA . . . 57 . HB# . . . . . 57 . HA . . rr_1hfg 2
275 2 OR . 1 1 57 57 ASP HA H . . . 1 1 57 57 ASP HB3 H . . . . . 2.4 1.8 3.9 . . . . . A . 57 ASP HB3 . . A . 57 ASP HA . . . 57 . HB# . . . . . 57 . HA . . rr_1hfg 2
276 1 . . 1 1 58 58 TRP HA H . . . 1 1 58 58 TRP HB3 H . . . . . 2.4 1.8 2.9 . . . . . A . 58 TRP HB3 . . A . 58 TRP HA . . . 58 . HB1 . . . . . 58 . HA . . rr_1hfg 2
277 1 . . 1 1 58 58 TRP HA H . . . 1 1 58 58 TRP HB2 H . . . . . 2.4 1.8 2.9 . . . . . A . 58 TRP HB2 . . A . 58 TRP HA . . . 58 . HB2 . . . . . 58 . HA . . rr_1hfg 2
278 1 . . 1 1 58 58 TRP HA H . . . 1 1 58 58 TRP HD1 H . . . . . 4.0 1.8 4.5 . . . . . A . 58 TRP HA . . A . 58 TRP HD1 . . . 58 . HA . . . . . 58 . HD1 . . rr_1hfg 2
279 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 58 58 TRP HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 58 TRP HB3 . . A . 58 TRP HE3 . . . 58 . HB1 . . . . . 58 . HE3 . . rr_1hfg 2
280 1 . . 1 1 58 58 TRP HD1 H . . . 1 1 58 58 TRP HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 58 TRP HB3 . . A . 58 TRP HD1 . . . 58 . HB1 . . . . . 58 . HD1 . . rr_1hfg 2
281 1 . . 1 1 58 58 TRP HD1 H . . . 1 1 58 58 TRP HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 58 TRP HB2 . . A . 58 TRP HD1 . . . 58 . HB2 . . . . . 58 . HD1 . . rr_1hfg 2
282 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 58 58 TRP HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 58 TRP HB2 . . A . 58 TRP HE3 . . . 58 . HB2 . . . . . 58 . HE3 . . rr_1hfg 2
283 1 . . 1 1 58 58 TRP HZ2 H . . . 1 1 58 58 TRP HE1 H . . . . . 3.0 1.8 3.5 . . . . . A . 58 TRP HZ2 . . A . 58 TRP HE1 . . . 58 . HZ2 . . . . . 58 . HE1 . . rr_1hfg 2
284 1 . . 1 1 59 59 VAL MG1 H . . . 1 1 59 59 VAL HA H . . . . . 3.0 1.8 4.0 . . . . . A . 59 VAL MG1 . . A . 59 VAL HA . . . 59 . HG1# . . . . . 59 . HA . . rr_1hfg 2
285 1 . . 1 1 59 59 VAL MG2 H . . . 1 1 59 59 VAL HA H . . . . . 3.0 1.8 4.0 . . . . . A . 59 VAL MG2 . . A . 59 VAL HA . . . 59 . HG2# . . . . . 59 . HA . . rr_1hfg 2
286 1 OR . 1 1 60 60 LYS HA H . . . 1 1 60 60 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HB2 . . A . 60 LYS HA . . . 60 . HB# . . . . . 60 . HA . . rr_1hfg 2
286 2 OR . 1 1 60 60 LYS HA H . . . 1 1 60 60 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HB3 . . A . 60 LYS HA . . . 60 . HB# . . . . . 60 . HA . . rr_1hfg 2
287 1 OR . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 61 LYS HG2 . . A . 61 LYS HA . . . 61 . HG# . . . . . 61 . HA . . rr_1hfg 2
287 2 OR . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HG3 H . . . . . 3.0 1.8 4.5 . . . . . A . 61 LYS HG3 . . A . 61 LYS HA . . . 61 . HG# . . . . . 61 . HA . . rr_1hfg 2
288 1 . . 1 1 62 62 LEU HB3 H . . . 1 1 62 62 LEU HA H . . . . . 2.4 1.8 2.9 . . . . . A . 62 LEU HB3 . . A . 62 LEU HA . . . 62 . HB1 . . . . . 62 . HA . . rr_1hfg 2
289 1 . . 1 1 62 62 LEU HB2 H . . . 1 1 62 62 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 62 LEU HB2 . . A . 62 LEU HA . . . 62 . HB2 . . . . . 62 . HA . . rr_1hfg 2
290 1 . . 1 1 62 62 LEU MD1 H . . . 1 1 62 62 LEU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 62 LEU MD1 . . A . 62 LEU HA . . . 62 . HD1# . . . . . 62 . HA . . rr_1hfg 2
291 1 . . 1 1 62 62 LEU MD2 H . . . 1 1 62 62 LEU HA H . . . . . 2.4 1.8 3.4 . . . . . A . 62 LEU MD2 . . A . 62 LEU HA . . . 62 . HD2# . . . . . 62 . HA . . rr_1hfg 2
292 1 OR . 1 1 63 63 MET HA H . . . 1 1 63 63 MET HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 63 MET HB2 . . A . 63 MET HA . . . 63 . HB# . . . . . 63 . HA . . rr_1hfg 2
292 2 OR . 1 1 63 63 MET HB3 H . . . 1 1 63 63 MET HA H . . . . . 2.4 1.8 3.9 . . . . . A . 63 MET HB3 . . A . 63 MET HA . . . 63 . HB# . . . . . 63 . HA . . rr_1hfg 2
293 1 OR . 1 1 64 64 GLN HA H . . . 1 1 64 64 GLN HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 64 GLN HB2 . . A . 64 GLN HA . . . 64 . HB# . . . . . 64 . HA . . rr_1hfg 2
293 2 OR . 1 1 64 64 GLN HB3 H . . . 1 1 64 64 GLN HA H . . . . . 2.4 1.8 3.9 . . . . . A . 64 GLN HB3 . . A . 64 GLN HA . . . 64 . HB# . . . . . 64 . HA . . rr_1hfg 2
294 1 . . 1 1 64 64 GLN HA H . . . 1 1 64 64 GLN HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 64 GLN HG3 . . A . 64 GLN HA . . . 64 . HG1 . . . . . 64 . HA . . rr_1hfg 2
295 1 . . 1 1 64 64 GLN HA H . . . 1 1 64 64 GLN HG2 H . . . . . 3.0 1.8 3.5 . . . . . A . 64 GLN HG2 . . A . 64 GLN HA . . . 64 . HG2 . . . . . 64 . HA . . rr_1hfg 2
296 1 OR . 1 1 65 65 GLN HA H . . . 1 1 65 65 GLN HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 65 GLN HB3 . . A . 65 GLN HA . . . 65 . HB# . . . . . 65 . HA . . rr_1hfg 2
296 2 OR . 1 1 65 65 GLN HA H . . . 1 1 65 65 GLN HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 65 GLN HB2 . . A . 65 GLN HA . . . 65 . HB# . . . . . 65 . HA . . rr_1hfg 2
297 1 . . 1 1 65 65 GLN HA H . . . 1 1 65 65 GLN HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HG3 . . A . 65 GLN HA . . . 65 . HG1 . . . . . 65 . HA . . rr_1hfg 2
298 1 . . 1 1 65 65 GLN HA H . . . 1 1 65 65 GLN HG2 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HG2 . . A . 65 GLN HA . . . 65 . HG2 . . . . . 65 . HA . . rr_1hfg 2
299 1 . . 1 1 66 66 LEU HB2 H . . . 1 1 66 66 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB2 . . A . 66 LEU HA . . . 66 . HB2 . . . . . 66 . HA . . rr_1hfg 2
300 1 . . 1 1 66 66 LEU HB3 H . . . 1 1 66 66 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB3 . . A . 66 LEU HA . . . 66 . HB1 . . . . . 66 . HA . . rr_1hfg 2
301 1 OR . 1 1 66 66 LEU HA H . . . 1 1 66 66 LEU MD1 H . . . . . 2.4 1.8 4.9 . . . . . A . 66 LEU MD1 . . A . 66 LEU HA . . . 66 . HD# . . . . . 66 . HA . . rr_1hfg 2
301 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 66 66 LEU HA H . . . . . 2.4 1.8 4.9 . . . . . A . 66 LEU MD2 . . A . 66 LEU HA . . . 66 . HD# . . . . . 66 . HA . . rr_1hfg 2
302 1 . . 1 1 66 66 LEU HA H . . . 1 1 66 66 LEU HG H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HG . . A . 66 LEU HA . . . 66 . HG . . . . . 66 . HA . . rr_1hfg 2
303 1 . . 1 1 67 67 PRO HB2 H . . . 1 1 67 67 PRO HA H . . . . . 3.0 1.8 3.5 . . . . . A . 67 PRO HB2 . . A . 67 PRO HA . . . 67 . HB2 . . . . . 67 . HA . . rr_1hfg 2
304 1 . . 1 1 67 67 PRO HB3 H . . . 1 1 67 67 PRO HA H . . . . . 3.0 1.8 3.5 . . . . . A . 67 PRO HB3 . . A . 67 PRO HA . . . 67 . HB1 . . . . . 67 . HA . . rr_1hfg 2
305 1 OR . 1 1 67 67 PRO HA H . . . 1 1 67 67 PRO HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 67 PRO HG2 . . A . 67 PRO HA . . . 67 . HG# . . . . . 67 . HA . . rr_1hfg 2
305 2 OR . 1 1 67 67 PRO HG3 H . . . 1 1 67 67 PRO HA H . . . . . 3.0 1.8 4.5 . . . . . A . 67 PRO HG3 . . A . 67 PRO HA . . . 67 . HG# . . . . . 67 . HA . . rr_1hfg 2
306 1 . . 1 1 69 69 THR MG H . . . 1 1 69 69 THR HA H . . . . . 3.0 1.8 4.0 . . . . . A . 69 THR MG . . A . 69 THR HA . . . 69 . HG2# . . . . . 69 . HA . . rr_1hfg 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "HA-HN (i=j)" 1 1 1 14 rr_1hfg 2
2 "assign (resid 39 and name HA1 ) (resid 39 and name HN ) 3.0 1.2 0.5" 61 1 61 71 rr_1hfg 2
3 "HN-HB (i=j)" 125 1 125 14 rr_1hfg 2
4 "assign (resid 10 and name HB2 ) (resid 10 and name HN ) 3.0 1.2 0.5" 145 1 145 71 rr_1hfg 2
5 "assign (resid 28 and name HB2 ) (resid 28 and name HN ) 4.0 2.2 1.0" 189 1 189 71 rr_1hfg 2
6 "assign (resid 43 and name HB1 ) (resid 43 and name HN ) 3.0 1.2 0.5" 223 1 223 71 rr_1hfg 2
7
;assign (resid 54 and name HB1 ) (resid 54 and name HN ) 2.4 0.6 0.3
assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 0.5
;
257 1 259 71 rr_1hfg 2
8 "assign (resid 60 and name HB2 ) (resid 60 and name HN ) 2.4 0.6 0.3" 277 1 277 71 rr_1hfg 2
9 "HN-HG (i=j)" 303 1 303 14 rr_1hfg 2
10 "assign (resid 46 and name HG2 ) (resid 46 and name HN ) 3.0 1.2 0.5" 327 1 327 71 rr_1hfg 2
11 "assign (resid 48 and name HG1 ) (resid 48 and name HN ) 4.0 2.2 1.0" 331 1 331 71 rr_1hfg 2
12 "assign (resid 49 and name HG2 ) (resid 49 and name HN ) 3.0 1.2 0.5" 337 1 337 71 rr_1hfg 2
13 "assign (resid 64 and name HG1 ) (resid 64 and name HN ) 4.0 2.2 1.0" 357 1 357 71 rr_1hfg 2
14 "HN-HD# (i=j)" 371 1 371 15 rr_1hfg 2
15 "assign (resid 24 and name HD2# ) (resid 24 and name HN ) 3.0 1.2 0.5" 383 1 383 71 rr_1hfg 2
16 "HN-HE (i=j)" 407 1 407 14 rr_1hfg 2
17 "Intraresidue side-chain-side-chain" 419 1 419 37 rr_1hfg 2
18 "assign (resid 6 and name HB2 ) (resid 6 and name HA ) 4.0 2.2 1.0" 433 1 433 71 rr_1hfg 2
19
;assign (resid 10 and name HB1 ) (resid 10 and name HA ) 3.0 1.2 0.5
assign (resid 10 and name HB2 ) (resid 10 and name HA ) 2.4 0.6 0.3
;
439 1 441 71 rr_1hfg 2
20
;assign (resid 28 and name HB1 ) (resid 28 and name HE3 ) 3.0 1.2 0.5
*** Could be an NOE to M63 HA
assign (resid 28 and name HB# ) (resid 28 and name HZ2 ) 4.0 2.2 1.5
assign (resid 28 and name HB2 ) (resid 28 and name HZ2 ) 4.0 2.2 1.0
;
535 1 543 71 rr_1hfg 2
21 "assign (resid 30 and name HG# ) (resid 30 and name HD2 ) 3.0 1.2 0.5" 573 1 573 71 rr_1hfg 2
22 "assign (resid 32 and name HB1 ) (resid 32 and name HB2 ) 2.4 0.6 0.3" 585 1 585 71 rr_1hfg 2
23 "assign (resid 38 and name HB1 ) (resid 38 and name HD2 ) 3.0 1.2 0.5" 617 1 617 71 rr_1hfg 2
24 "assign (resid 43 and name HD2# ) (resid 43 and name HA ) 3.0 1.2 0.5" 655 1 655 71 rr_1hfg 2
25 "assign (resid 58 and name HA ) (resid 58 and name HE3 ) 4.0 2.2 0.5" 753 1 753 71 rr_1hfg 2
26 "assign (resid 60 and name HB2 ) (resid 60 and name HA ) 3.0 1.2 0.5" 777 1 777 71 rr_1hfg 2
27
;assign (resid 65 and name HB1 ) (resid 65 and name HA ) 3.0 1.2 0.5
assign (resid 65 and name HB2 ) (resid 65 and name HA ) 2.4 0.6 0.3
;
809 1 811 71 rr_1hfg 2
28 "assign (resid 66 and name HD2# ) (resid 66 and name HA ) 2.4 0.6 0.3" 825 1 825 71 rr_1hfg 2
29
;assign (resid 68 and name HB ) (resid 68 and name HA ) 2.4 0.6 0.5
assign (resid 68 and name HG1# ) (resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HG2# ) (resid 68 and name HA ) 3.0 1.2 1.0
;
839 1 843 71 rr_1hfg 2
stop_
save_
save_CNS/XPLOR_distance_constraints_13
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_13
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 6
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 13
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 7 7 ARG H H . . . 1 1 6 6 HIS HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 6 HIS HB2 . . A . 7 ARG H . . . 6 . HB# . . . . . 7 . HN . . rr_1hfg 3
1 2 OR . 1 1 7 7 ARG H H . . . 1 1 6 6 HIS HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 6 HIS HB3 . . A . 7 ARG H . . . 6 . HB# . . . . . 7 . HN . . rr_1hfg 3
stop_
save_
save_CNS/XPLOR_distance_constraints_15
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_15
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 7
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 15
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 4
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 ASP HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 9 ASP HB2 . . A . 10 LYS H . . . 9 . HB# . . . . . 10 . HN . . rr_1hfg 4
1 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 ASP HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 9 ASP HB3 . . A . 10 LYS H . . . 9 . HB# . . . . . 10 . HN . . rr_1hfg 4
2 1 . . 1 1 11 11 CYS H H . . . 1 1 10 10 LYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 10 LYS HB3 . . A . 11 CYS H . . . 10 . HB1 . . . . . 11 . HN . . rr_1hfg 4
3 1 . . 1 1 11 11 CYS H H . . . 1 1 10 10 LYS HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 10 LYS HB2 . . A . 11 CYS H . . . 10 . HB2 . . . . . 11 . HN . . rr_1hfg 4
4 1 . . 1 1 12 12 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 11 CYS HB3 . . A . 12 CYS H . . . 11 . HB1 . . . . . 12 . HN . . rr_1hfg 4
5 1 OR . 1 1 14 14 GLY H H . . . 1 1 13 13 LEU HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 13 LEU HB2 . . A . 14 GLY H . . . 13 . HB# . . . . . 14 . HN . . rr_1hfg 4
5 2 OR . 1 1 14 14 GLY H H . . . 1 1 13 13 LEU HB3 H . . . . . 2.4 1.8 3.9 . . . . . A . 13 LEU HB3 . . A . 14 GLY H . . . 13 . HB# . . . . . 14 . HN . . rr_1hfg 4
6 1 . . 1 1 16 16 GLN H H . . . 1 1 15 15 TYR HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 15 TYR HB3 . . A . 16 GLN H . . . 15 . HB1 . . . . . 16 . HN . . rr_1hfg 4
7 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 16 16 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 15 TYR HB2 . . A . 16 GLN H . . . 15 . HB2 . . . . . 16 . HN . . rr_1hfg 4
8 1 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB3 H . . . . . 5.0 1.8 6.5 . . . . . A . 16 GLN HB3 . . A . 16 GLN H . . . 16 . HB# . . . . . 16 . HN . . rr_1hfg 4
8 2 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 16 GLN HB2 . . A . 16 GLN H . . . 16 . HB# . . . . . 16 . HN . . rr_1hfg 4
9 1 OR . 1 1 20 20 LEU H H . . . 1 1 19 19 PRO HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 19 PRO HB2 . . A . 20 LEU H . . . 19 . HB# . . . . . 20 . HN . . rr_1hfg 4
9 2 OR . 1 1 19 19 PRO HB3 H . . . 1 1 20 20 LEU H H . . . . . 3.0 1.8 4.5 . . . . . A . 19 PRO HB3 . . A . 20 LEU H . . . 19 . HB# . . . . . 20 . HN . . rr_1hfg 4
10 1 . . 1 1 22 22 GLN H H . . . 1 1 21 21 PRO HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 21 PRO HB2 . . A . 22 GLN H . . . 21 . HB2 . . . . . 22 . HN . . rr_1hfg 4
11 1 . . 1 1 22 22 GLN H H . . . 1 1 21 21 PRO HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 21 PRO HB3 . . A . 22 GLN H . . . 21 . HB1 . . . . . 22 . HN . . rr_1hfg 4
12 1 . . 1 1 23 23 VAL H H . . . 1 1 22 22 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 22 GLN HB3 . . A . 23 VAL H . . . 22 . HB1 . . . . . 23 . HN . . rr_1hfg 4
13 1 . . 1 1 24 24 LEU H H . . . 1 1 23 23 VAL HB H . . . . . 4.0 1.8 4.5 . . . . . A . 23 VAL HB . . A . 24 LEU H . . . 23 . HB . . . . . 24 . HN . . rr_1hfg 4
14 1 . . 1 1 25 25 LEU HB2 H . . . 1 1 26 26 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 25 LEU HB2 . . A . 26 SER H . . . 25 . HB2 . . . . . 26 . HN . . rr_1hfg 4
15 1 . . 1 1 25 25 LEU HB3 H . . . 1 1 26 26 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 25 LEU HB3 . . A . 26 SER H . . . 25 . HB1 . . . . . 26 . HN . . rr_1hfg 4
16 1 . . 1 1 26 26 SER HB3 H . . . 1 1 27 27 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 26 SER HB3 . . A . 27 SER H . . . 26 . HB1 . . . . . 27 . HN . . rr_1hfg 4
17 1 . . 1 1 27 27 SER H H . . . 1 1 26 26 SER HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 26 SER HB2 . . A . 27 SER H . . . 26 . HB2 . . . . . 27 . HN . . rr_1hfg 4
18 1 . . 1 1 28 28 TRP H H . . . 1 1 27 27 SER HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 27 SER HB3 . . A . 28 TRP H . . . 27 . HB1 . . . . . 28 . HN . . rr_1hfg 4
19 1 . . 1 1 28 28 TRP H H . . . 1 1 27 27 SER HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 27 SER HB2 . . A . 28 TRP H . . . 27 . HB2 . . . . . 28 . HN . . rr_1hfg 4
20 1 . . 1 1 29 29 TYR H H . . . 1 1 28 28 TRP HB3 H . . . . . 3.0 1.8 4.0 . . . . . A . 28 TRP HB3 . . A . 29 TYR H . . . 28 . HB1 . . . . . 29 . HN . . rr_1hfg 4
21 1 . . 1 1 28 28 TRP HB2 H . . . 1 1 29 29 TYR H H . . . . . 3.0 1.8 4.0 . . . . . A . 28 TRP HB2 . . A . 29 TYR H . . . 28 . HB2 . . . . . 29 . HN . . rr_1hfg 4
22 1 . . 1 1 31 31 THR H H . . . 1 1 30 30 PRO HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 30 PRO HB3 . . A . 31 THR H . . . 30 . HB1 . . . . . 31 . HN . . rr_1hfg 4
23 1 . . 1 1 31 31 THR HB H . . . 1 1 32 32 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 31 THR HB . . A . 32 SER H . . . 31 . HB . . . . . 32 . HN . . rr_1hfg 4
24 1 OR . 1 1 33 33 GLN H H . . . 1 1 32 32 SER HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 32 SER HB2 . . A . 33 GLN H . . . 32 . HB# . . . . . 33 . HN . . rr_1hfg 4
24 2 OR . 1 1 32 32 SER HB3 H . . . 1 1 33 33 GLN H H . . . . . 4.0 1.8 5.5 . . . . . A . 32 SER HB3 . . A . 33 GLN H . . . 32 . HB# . . . . . 33 . HN . . rr_1hfg 4
25 1 OR . 1 1 34 34 LEU H H . . . 1 1 33 33 GLN HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 33 GLN HB3 . . A . 34 LEU H . . . 33 . HB# . . . . . 34 . HN . . rr_1hfg 4
25 2 OR . 1 1 34 34 LEU H H . . . 1 1 33 33 GLN HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 33 GLN HB2 . . A . 34 LEU H . . . 33 . HB# . . . . . 34 . HN . . rr_1hfg 4
26 1 OR . 1 1 35 35 CYS H H . . . 1 1 34 34 LEU HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 34 LEU HB2 . . A . 35 CYS H . . . 34 . HB# . . . . . 35 . HN . . rr_1hfg 4
26 2 OR . 1 1 35 35 CYS H H . . . 1 1 34 34 LEU HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 34 LEU HB3 . . A . 35 CYS H . . . 34 . HB# . . . . . 35 . HN . . rr_1hfg 4
27 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 36 36 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 35 CYS HB2 . . A . 36 SER H . . . 35 . HB2 . . . . . 36 . HN . . rr_1hfg 4
28 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 36 36 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 35 CYS HB3 . . A . 36 SER H . . . 35 . HB1 . . . . . 36 . HN . . rr_1hfg 4
29 1 OR . 1 1 37 37 LYS H H . . . 1 1 36 36 SER HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 36 SER HB2 . . A . 37 LYS H . . . 36 . HB# . . . . . 37 . HN . . rr_1hfg 4
29 2 OR . 1 1 37 37 LYS H H . . . 1 1 36 36 SER HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 36 SER HB3 . . A . 37 LYS H . . . 36 . HB# . . . . . 37 . HN . . rr_1hfg 4
30 1 . . 1 1 39 39 GLY H H . . . 1 1 38 38 PRO HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 38 PRO HB2 . . A . 39 GLY H . . . 38 . HB2 . . . . . 39 . HN . . rr_1hfg 4
31 1 . . 1 1 39 39 GLY H H . . . 1 1 38 38 PRO HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 38 PRO HB3 . . A . 39 GLY H . . . 38 . HB1 . . . . . 39 . HN . . rr_1hfg 4
32 1 . . 1 1 41 41 ILE HB H . . . 1 1 42 42 PHE H H . . . . . 4.0 1.8 4.5 . . . . . A . 41 ILE HB . . A . 42 PHE H . . . 41 . HB . . . . . 42 . HN . . rr_1hfg 4
33 1 . . 1 1 43 43 LEU H H . . . 1 1 42 42 PHE HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 42 PHE HB2 . . A . 43 LEU H . . . 42 . HB2 . . . . . 43 . HN . . rr_1hfg 4
34 1 . . 1 1 43 43 LEU H H . . . 1 1 42 42 PHE HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 42 PHE HB3 . . A . 43 LEU H . . . 42 . HB1 . . . . . 43 . HN . . rr_1hfg 4
35 1 OR . 1 1 44 44 THR H H . . . 1 1 43 43 LEU HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 43 LEU HB2 . . A . 44 THR H . . . 43 . HB# . . . . . 44 . HN . . rr_1hfg 4
35 2 OR . 1 1 43 43 LEU HB3 H . . . 1 1 44 44 THR H H . . . . . 3.0 1.8 4.5 . . . . . A . 43 LEU HB3 . . A . 44 THR H . . . 43 . HB# . . . . . 44 . HN . . rr_1hfg 4
36 1 . . 1 1 45 45 LYS H H . . . 1 1 44 44 THR HB H . . . . . 3.0 1.8 3.5 . . . . . A . 44 THR HB . . A . 45 LYS H . . . 44 . HB . . . . . 45 . HN . . rr_1hfg 4
37 1 . . 1 1 47 47 GLY H H . . . 1 1 46 46 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 46 ARG HB3 . . A . 47 GLY H . . . 46 . HB1 . . . . . 47 . HN . . rr_1hfg 4
38 1 . . 1 1 49 49 GLN H H . . . 1 1 48 48 ARG HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 48 ARG HB2 . . A . 49 GLN H . . . 48 . HB2 . . . . . 49 . HN . . rr_1hfg 4
39 1 . . 1 1 50 50 VAL H H . . . 1 1 49 49 GLN HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 49 GLN HB3 . . A . 50 VAL H . . . 49 . HB1 . . . . . 50 . HN . . rr_1hfg 4
40 1 . . 1 1 52 52 ALA H H . . . 1 1 51 51 CYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HB3 . . A . 52 ALA H . . . 51 . HB1 . . . . . 52 . HN . . rr_1hfg 4
41 1 . . 1 1 52 52 ALA H H . . . 1 1 51 51 CYS HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HB2 . . A . 52 ALA H . . . 51 . HB2 . . . . . 52 . HN . . rr_1hfg 4
42 1 . . 1 1 53 53 ASP H H . . . 1 1 52 52 ALA MB H . . . . . 3.0 1.8 4.5 . . . . . A . 52 ALA MB . . A . 53 ASP H . . . 52 . HB# . . . . . 53 . HN . . rr_1hfg 4
43 1 . . 1 1 55 55 SER H H . . . 1 1 54 54 LYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 54 LYS HB3 . . A . 55 SER H . . . 54 . HB1 . . . . . 55 . HN . . rr_1hfg 4
44 1 . . 1 1 55 55 SER H H . . . 1 1 54 54 LYS HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 54 LYS HB2 . . A . 55 SER H . . . 54 . HB2 . . . . . 55 . HN . . rr_1hfg 4
45 1 OR . 1 1 57 57 ASP H H . . . 1 1 56 56 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB2 . . A . 57 ASP H . . . 56 . HB# . . . . . 57 . HN . . rr_1hfg 4
45 2 OR . 1 1 56 56 LYS HB3 H . . . 1 1 57 57 ASP H H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB3 . . A . 57 ASP H . . . 56 . HB# . . . . . 57 . HN . . rr_1hfg 4
46 1 OR . 1 1 58 58 TRP H H . . . 1 1 57 57 ASP HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 57 ASP HB2 . . A . 58 TRP H . . . 57 . HB# . . . . . 58 . HN . . rr_1hfg 4
46 2 OR . 1 1 58 58 TRP H H . . . 1 1 57 57 ASP HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 57 ASP HB3 . . A . 58 TRP H . . . 57 . HB# . . . . . 58 . HN . . rr_1hfg 4
47 1 OR . 1 1 61 61 LYS H H . . . 1 1 60 60 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HB2 . . A . 61 LYS H . . . 60 . HB# . . . . . 61 . HN . . rr_1hfg 4
47 2 OR . 1 1 61 61 LYS H H . . . 1 1 60 60 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HB3 . . A . 61 LYS H . . . 60 . HB# . . . . . 61 . HN . . rr_1hfg 4
48 1 OR . 1 1 62 62 LEU H H . . . 1 1 61 61 LYS HB2 H . . . . . 2.4 1.8 3.9 . . . . . A . 61 LYS HB2 . . A . 62 LEU H . . . 61 . HB# . . . . . 62 . HN . . rr_1hfg 4
48 2 OR . 1 1 62 62 LEU H H . . . 1 1 61 61 LYS HB3 H . . . . . 2.4 1.8 3.9 . . . . . A . 61 LYS HB3 . . A . 62 LEU H . . . 61 . HB# . . . . . 62 . HN . . rr_1hfg 4
49 1 . . 1 1 62 62 LEU HB3 H . . . 1 1 63 63 MET H H . . . . . 3.0 1.8 3.5 . . . . . A . 62 LEU HB3 . . A . 63 MET H . . . 62 . HB1 . . . . . 63 . HN . . rr_1hfg 4
50 1 . . 1 1 63 63 MET HB3 H . . . 1 1 64 64 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 63 MET HB3 . . A . 64 GLN H . . . 63 . HB1 . . . . . 64 . HN . . rr_1hfg 4
51 1 . . 1 1 64 64 GLN H H . . . 1 1 63 63 MET HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 63 MET HB2 . . A . 64 GLN H . . . 63 . HB2 . . . . . 64 . HN . . rr_1hfg 4
52 1 OR . 1 1 66 66 LEU H H . . . 1 1 65 65 GLN HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 65 GLN HB3 . . A . 66 LEU H . . . 65 . HB# . . . . . 66 . HN . . rr_1hfg 4
52 2 OR . 1 1 66 66 LEU H H . . . 1 1 65 65 GLN HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 65 GLN HB2 . . A . 66 LEU H . . . 65 . HB# . . . . . 66 . HN . . rr_1hfg 4
53 1 . . 1 1 67 67 PRO HB2 H . . . 1 1 68 68 VAL H H . . . . . 2.4 1.8 2.9 . . . . . A . 67 PRO HB2 . . A . 68 VAL H . . . 67 . HB2 . . . . . 68 . HN . . rr_1hfg 4
54 1 . . 1 1 68 68 VAL H H . . . 1 1 67 67 PRO HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 67 PRO HB3 . . A . 68 VAL H . . . 67 . HB1 . . . . . 68 . HN . . rr_1hfg 4
55 1 . . 1 1 69 69 THR H H . . . 1 1 68 68 VAL HB H . . . . . 4.0 1.8 4.5 . . . . . A . 68 VAL HB . . A . 69 THR H . . . 68 . HB . . . . . 69 . HN . . rr_1hfg 4
56 1 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 PRO HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 8 PRO HG2 . . A . 9 ASP H . . . 8 . HG# . . . . . 9 . HN . . rr_1hfg 4
56 2 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 PRO HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 8 PRO HG3 . . A . 9 ASP H . . . 8 . HG# . . . . . 9 . HN . . rr_1hfg 4
57 1 . . 1 1 24 24 LEU H H . . . 1 1 23 23 VAL MG1 H . . . . . 3.0 1.8 4.0 . . . . . A . 23 VAL MG1 . . A . 24 LEU H . . . 23 . HG1# . . . . . 24 . HN . . rr_1hfg 4
58 1 . . 1 1 31 31 THR MG H . . . 1 1 32 32 SER H H . . . . . 3.0 1.8 4.0 . . . . . A . 31 THR MG . . A . 32 SER H . . . 31 . HG2# . . . . . 32 . HN . . rr_1hfg 4
59 1 . . 1 1 40 40 VAL MG2 H . . . 1 1 41 41 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 40 VAL MG2 . . A . 41 ILE H . . . 40 . HG2# . . . . . 41 . HN . . rr_1hfg 4
60 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 41 41 ILE H H . . . . . 3.0 1.8 4.0 . . . . . A . 40 VAL MG1 . . A . 41 ILE H . . . 40 . HG1# . . . . . 41 . HN . . rr_1hfg 4
61 1 OR . 1 1 42 42 PHE H H . . . 1 1 41 41 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HG12 . . A . 42 PHE H . . . 41 . HG1# . . . . . 42 . HN . . rr_1hfg 4
61 2 OR . 1 1 41 41 ILE HG13 H . . . 1 1 42 42 PHE H H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HG13 . . A . 42 PHE H . . . 41 . HG1# . . . . . 42 . HN . . rr_1hfg 4
62 1 . . 1 1 41 41 ILE MG H . . . 1 1 42 42 PHE H H . . . . . 3.0 1.8 4.0 . . . . . A . 41 ILE MG . . A . 42 PHE H . . . 41 . HG2# . . . . . 42 . HN . . rr_1hfg 4
63 1 . . 1 1 49 49 GLN H H . . . 1 1 48 48 ARG HG3 H . . . . . 4.0 1.8 4.5 . . . . . A . 48 ARG HG3 . . A . 49 GLN H . . . 48 . HG1 . . . . . 49 . HN . . rr_1hfg 4
64 1 . . 1 1 49 49 GLN H H . . . 1 1 48 48 ARG HG2 H . . . . . 4.0 1.8 4.5 . . . . . A . 48 ARG HG2 . . A . 49 GLN H . . . 48 . HG2 . . . . . 49 . HN . . rr_1hfg 4
65 1 OR . 1 1 50 50 VAL H H . . . 1 1 49 49 GLN HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 49 GLN HG3 . . A . 50 VAL H . . . 49 . HG# . . . . . 50 . HN . . rr_1hfg 4
65 2 OR . 1 1 50 50 VAL H H . . . 1 1 49 49 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 49 GLN HG2 . . A . 50 VAL H . . . 49 . HG# . . . . . 50 . HN . . rr_1hfg 4
66 1 . . 1 1 50 50 VAL MG2 H . . . 1 1 51 51 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 50 VAL MG2 . . A . 51 CYS H . . . 50 . HG2# . . . . . 51 . HN . . rr_1hfg 4
67 1 . . 1 1 50 50 VAL MG1 H . . . 1 1 51 51 CYS H H . . . . . 3.0 1.8 4.0 . . . . . A . 50 VAL MG1 . . A . 51 CYS H . . . 50 . HG1# . . . . . 51 . HN . . rr_1hfg 4
68 1 . . 1 1 58 58 TRP HE1 H . . . 1 1 59 59 VAL MG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 59 VAL MG2 . . A . 58 TRP HE1 . . . 59 . HG2# . . . . . 58 . HE1 . . rr_1hfg 4
69 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 59 59 VAL MG2 H . . . . . 3.0 1.8 4.0 . . . . . A . 59 VAL MG2 . . A . 58 TRP HE3 . . . 59 . HG2# . . . . . 58 . HE3 . . rr_1hfg 4
70 1 . . 1 1 59 59 VAL MG2 H . . . 1 1 58 58 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 59 VAL MG2 . . A . 58 TRP H . . . 59 . HG2# . . . . . 58 . HN . . rr_1hfg 4
71 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 59 59 VAL MG2 H . . . . . 3.0 1.8 4.0 . . . . . A . 59 VAL MG2 . . A . 58 TRP HZ3 . . . 59 . HG2# . . . . . 58 . HZ3 . . rr_1hfg 4
72 1 . . 1 1 59 59 VAL MG1 H . . . 1 1 60 60 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 59 VAL MG1 . . A . 60 LYS H . . . 59 . HG1# . . . . . 60 . HN . . rr_1hfg 4
73 1 . . 1 1 59 59 VAL MG2 H . . . 1 1 60 60 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 59 VAL MG2 . . A . 60 LYS H . . . 59 . HG2# . . . . . 60 . HN . . rr_1hfg 4
74 1 OR . 1 1 68 68 VAL H H . . . 1 1 67 67 PRO HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 67 PRO HG2 . . A . 68 VAL H . . . 67 . HG# . . . . . 68 . HN . . rr_1hfg 4
74 2 OR . 1 1 68 68 VAL H H . . . 1 1 67 67 PRO HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 67 PRO HG3 . . A . 68 VAL H . . . 67 . HG# . . . . . 68 . HN . . rr_1hfg 4
75 1 . . 1 1 69 69 THR H H . . . 1 1 68 68 VAL MG1 H . . . . . 3.0 1.8 4.0 . . . . . A . 68 VAL MG1 . . A . 69 THR H . . . 68 . HG1# . . . . . 69 . HN . . rr_1hfg 4
76 1 . . 1 1 69 69 THR H H . . . 1 1 68 68 VAL MG2 H . . . . . 3.0 1.8 4.0 . . . . . A . 68 VAL MG2 . . A . 69 THR H . . . 68 . HG2# . . . . . 69 . HN . . rr_1hfg 4
77 1 OR . 1 1 25 25 LEU H H . . . 1 1 24 24 LEU MD1 H . . . . . 3.0 1.8 3.5 . . . . . A . 24 LEU MD1 . . A . 25 LEU H . . . 24 . HD# . . . . . 25 . HN . . rr_1hfg 4
77 2 OR . 1 1 24 24 LEU MD2 H . . . 1 1 25 25 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 24 LEU MD2 . . A . 25 LEU H . . . 24 . HD# . . . . . 25 . HN . . rr_1hfg 4
78 1 . . 1 1 26 26 SER H H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 3.5 . . . . . A . 25 LEU MD1 . . A . 26 SER H . . . 25 . HD1# . . . . . 26 . HN . . rr_1hfg 4
79 1 OR . 1 1 35 35 CYS H H . . . 1 1 34 34 LEU MD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 34 LEU MD2 . . A . 35 CYS H . . . 34 . HD# . . . . . 35 . HN . . rr_1hfg 4
79 2 OR . 1 1 35 35 CYS H H . . . 1 1 34 34 LEU MD1 H . . . . . 4.0 1.8 5.5 . . . . . A . 34 LEU MD1 . . A . 35 CYS H . . . 34 . HD# . . . . . 35 . HN . . rr_1hfg 4
80 1 OR . 1 1 37 37 LYS H H . . . 1 1 38 38 PRO HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 38 PRO HD2 . . A . 37 LYS H . . . 38 . HD# . . . . . 37 . HN . . rr_1hfg 4
80 2 OR . 1 1 37 37 LYS H H . . . 1 1 38 38 PRO HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 38 PRO HD3 . . A . 37 LYS H . . . 38 . HD# . . . . . 37 . HN . . rr_1hfg 4
81 1 OR . 1 1 44 44 THR H H . . . 1 1 43 43 LEU MD2 H . . . . . 5.0 1.8 7.5 . . . . . A . 43 LEU MD2 . . A . 44 THR H . . . 43 . HD# . . . . . 44 . HN . . rr_1hfg 4
81 2 OR . 1 1 43 43 LEU MD1 H . . . 1 1 44 44 THR H H . . . . . 5.0 1.8 7.5 . . . . . A . 43 LEU MD1 . . A . 44 THR H . . . 43 . HD# . . . . . 44 . HN . . rr_1hfg 4
82 1 OR . 1 1 55 55 SER H H . . . 1 1 54 54 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 54 LYS HD2 . . A . 55 SER H . . . 54 . HD# . . . . . 55 . HN . . rr_1hfg 4
82 2 OR . 1 1 55 55 SER H H . . . 1 1 54 54 LYS HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 54 LYS HD3 . . A . 55 SER H . . . 54 . HD# . . . . . 55 . HN . . rr_1hfg 4
83 1 . . 1 1 62 62 LEU MD1 H . . . 1 1 63 63 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 62 LEU MD1 . . A . 63 MET H . . . 62 . HD1# . . . . . 63 . HN . . rr_1hfg 4
84 1 . . 1 1 62 62 LEU MD2 H . . . 1 1 63 63 MET H H . . . . . 5.0 1.8 6.0 . . . . . A . 62 LEU MD2 . . A . 63 MET H . . . 62 . HD2# . . . . . 63 . HN . . rr_1hfg 4
85 1 . . 1 1 6 6 HIS HA H . . . 1 1 5 5 TRP HE3 H . . . . . 4.0 1.8 4.5 . . . . . A . 6 HIS HA . . A . 5 TRP HE3 . . . 6 . HA . . . . . 5 . HE3 . . rr_1hfg 4
86 1 OR . 1 1 7 7 ARG HA H . . . 1 1 8 8 PRO HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 8 PRO HD2 . . A . 7 ARG HA . . . 8 . HD# . . . . . 7 . HA . . rr_1hfg 4
86 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 ARG HA H . . . . . 3.0 1.8 4.5 . . . . . A . 8 PRO HD3 . . A . 7 ARG HA . . . 8 . HD# . . . . . 7 . HA . . rr_1hfg 4
87 1 . . 1 1 19 19 PRO HD3 H . . . 1 1 18 18 ARG HA H . . . . . 2.4 1.8 2.9 . . . . . A . 19 PRO HD3 . . A . 18 ARG HA . . . 19 . HD1 . . . . . 18 . HA . . rr_1hfg 4
88 1 . . 1 1 18 18 ARG HA H . . . 1 1 19 19 PRO HD2 H . . . . . 2.4 1.8 2.9 . . . . . A . 19 PRO HD2 . . A . 18 ARG HA . . . 19 . HD2 . . . . . 18 . HA . . rr_1hfg 4
89 1 . . 1 1 20 20 LEU HB3 H . . . 1 1 21 21 PRO HD3 H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HB3 . . A . 21 PRO HD3 . . . 20 . HB1 . . . . . 21 . HD1 . . rr_1hfg 4
90 1 . . 1 1 20 20 LEU HB3 H . . . 1 1 21 21 PRO HD2 H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HB3 . . A . 21 PRO HD2 . . . 20 . HB1 . . . . . 21 . HD2 . . rr_1hfg 4
91 1 . . 1 1 20 20 LEU HA H . . . 1 1 21 21 PRO HD3 H . . . . . 3.0 1.8 3.5 . . . . . A . 21 PRO HD3 . . A . 20 LEU HA . . . 21 . HD1 . . . . . 20 . HA . . rr_1hfg 4
92 1 . . 1 1 21 21 PRO HD2 H . . . 1 1 20 20 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 21 PRO HD2 . . A . 20 LEU HA . . . 21 . HD2 . . . . . 20 . HA . . rr_1hfg 4
93 1 . . 1 1 28 28 TRP HD1 H . . . 1 1 27 27 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 27 SER HA . . A . 28 TRP HD1 . . . 27 . HA . . . . . 28 . HD1 . . rr_1hfg 4
94 1 . . 1 1 28 28 TRP HE3 H . . . 1 1 29 29 TYR HA H . . . . . 3.0 1.8 4.5 . . . . . A . 28 TRP HE3 . . A . 29 TYR HA . . . 28 . HE3 . . . . . 29 . HA . . rr_1hfg 4
95 1 OR . 1 1 28 28 TRP HA H . . . 1 1 29 29 TYR HD1 H . . . . . 4.0 1.8 6.8 . . . . . A . 28 TRP HA . . A . 29 TYR HD1 . . . 28 . HA . . . . . 29 . HD# . . rr_1hfg 4
95 2 OR . 1 1 28 28 TRP HA H . . . 1 1 29 29 TYR HD2 H . . . . . 4.0 1.8 6.8 . . . . . A . 28 TRP HA . . A . 29 TYR HD2 . . . 28 . HA . . . . . 29 . HD# . . rr_1hfg 4
96 1 OR . 1 1 29 29 TYR HB3 H . . . 1 1 30 30 PRO HD3 H . . . . . 3.0 1.8 4.5 . . . . . A . 29 TYR HB3 . . A . 30 PRO HD3 . . . 29 . HB1 . . . . . 30 . HD# . . rr_1hfg 4
96 2 OR . 1 1 29 29 TYR HB3 H . . . 1 1 30 30 PRO HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 29 TYR HB3 . . A . 30 PRO HD2 . . . 29 . HB1 . . . . . 30 . HD# . . rr_1hfg 4
97 1 OR . 1 1 29 29 TYR HB2 H . . . 1 1 30 30 PRO HD3 H . . . . . 3.0 1.8 4.5 . . . . . A . 29 TYR HB2 . . A . 30 PRO HD3 . . . 29 . HB2 . . . . . 30 . HD# . . rr_1hfg 4
97 2 OR . 1 1 29 29 TYR HB2 H . . . 1 1 30 30 PRO HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 29 TYR HB2 . . A . 30 PRO HD2 . . . 29 . HB2 . . . . . 30 . HD# . . rr_1hfg 4
98 1 . . 1 1 29 29 TYR HA H . . . 1 1 30 30 PRO HD3 H . . . . . 3.0 1.8 3.5 . . . . . A . 30 PRO HD3 . . A . 29 TYR HA . . . 30 . HD1 . . . . . 29 . HA . . rr_1hfg 4
99 1 . . 1 1 29 29 TYR HA H . . . 1 1 30 30 PRO HD2 H . . . . . 3.0 1.8 3.5 . . . . . A . 30 PRO HD2 . . A . 29 TYR HA . . . 30 . HD2 . . . . . 29 . HA . . rr_1hfg 4
100 1 . . 1 1 43 43 LEU H H . . . 1 1 42 42 PHE QD H . . . . . 5.0 1.8 7.5 . . . . . A . 42 PHE QD . . A . 43 LEU H . . . 42 . HD# . . . . . 43 . HN . . rr_1hfg 4
101 1 . . 1 1 43 43 LEU HA H . . . 1 1 44 44 THR MG H . . . . . 4.0 1.8 5.0 . . . . . A . 44 THR MG . . A . 43 LEU HA . . . 44 . HG2# . . . . . 43 . HA . . rr_1hfg 4
102 1 OR . 1 1 44 44 THR HA H . . . 1 1 45 45 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 45 LYS HD2 . . A . 44 THR HA . . . 45 . HD# . . . . . 44 . HA . . rr_1hfg 4
102 2 OR . 1 1 44 44 THR HA H . . . 1 1 45 45 LYS HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 45 LYS HD3 . . A . 44 THR HA . . . 45 . HD# . . . . . 44 . HA . . rr_1hfg 4
103 1 . . 1 1 50 50 VAL MG2 H . . . 1 1 49 49 GLN HA H . . . . . 4.0 2.8 5.0 . . . . . A . 50 VAL MG2 . . A . 49 GLN HA . . . 50 . HG2# . . . . . 49 . HA . . rr_1hfg 4
104 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 59 59 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 59 VAL HA . . A . 58 TRP HE3 . . . 59 . HA . . . . . 58 . HE3 . . rr_1hfg 4
105 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 59 59 VAL HA H . . . . . 4.0 1.8 4.5 . . . . . A . 59 VAL HA . . A . 58 TRP HZ3 . . . 59 . HA . . . . . 58 . HZ3 . . rr_1hfg 4
106 1 . . 1 1 66 66 LEU HB3 H . . . 1 1 67 67 PRO HD3 H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB3 . . A . 67 PRO HD3 . . . 66 . HB1 . . . . . 67 . HD1 . . rr_1hfg 4
107 1 . . 1 1 66 66 LEU HB3 H . . . 1 1 67 67 PRO HD2 H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB3 . . A . 67 PRO HD2 . . . 66 . HB1 . . . . . 67 . HD2 . . rr_1hfg 4
108 1 . . 1 1 66 66 LEU HA H . . . 1 1 67 67 PRO HD3 H . . . . . 3.0 1.8 3.5 . . . . . A . 67 PRO HD3 . . A . 66 LEU HA . . . 67 . HD1 . . . . . 66 . HA . . rr_1hfg 4
109 1 . . 1 1 66 66 LEU HA H . . . 1 1 67 67 PRO HD2 H . . . . . 3.0 1.8 3.5 . . . . . A . 67 PRO HD2 . . A . 66 LEU HA . . . 67 . HD2 . . . . . 66 . HA . . rr_1hfg 4
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "assign (resid 19 and name HB1 ) (resid 20 and name HN ) 3.0 1.2 0.5" 19 1 19 71 rr_1hfg 4
2 "assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.0 2.2 1.0" 55 1 55 71 rr_1hfg 4
3 "assign (resid 33 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 1.0" 61 1 61 71 rr_1hfg 4
4 "assign (resid 43 and name HB1 ) (resid 44 and name HN ) 3.0 1.2 0.5" 87 1 87 71 rr_1hfg 4
5 "assign (resid 54 and name HB1 ) (resid 55 and name HN ) 3.0 1.2 0.5" 111 1 111 71 rr_1hfg 4
6 "assign (resid 65 and name HB2 ) (resid 66 and name HN ) 3.0 1.2 0.5" 135 1 135 71 rr_1hfg 4
7 HG(i)-HN(i+1) 147 1 147 16 rr_1hfg 4
8 "assign (resid 8 and name HG1 ) (resid 9 and name HN ) 4.0 2.2 1.0" 153 1 153 71 rr_1hfg 4
9 "assign (resid 59 and name HG2# ) (resid 58 and name HD1 ) 3.0 1.2 1.0" 179 1 179 71 rr_1hfg 4
10 HD(i)-HN(i+1) 201 1 201 16 rr_1hfg 4
11 "assign (resid 24 and name HD2# ) (resid 25 and name HN ) 3.0 1.2 0.5" 207 1 207 71 rr_1hfg 4
12 "assign (resid 34 and name HD1# ) (resid 35 and name HN ) 4.0 2.2 1.0" 213 1 213 71 rr_1hfg 4
13 "assign (resid 38 and name HD2 ) (resid 37 and name HN ) 4.0 2.2 1.0" 217 1 217 71 rr_1hfg 4
14 "Other sequential" 231 1 231 19 rr_1hfg 4
15
;assign (resid 8 and name HD1 ) (resid 7 and name HA ) 3.0 1.2 0.5
assign (resid 14 and name HA# ) (resid 15 and name HD# ) 4.0 2.2 2.0
;
239 1 241 71 rr_1hfg 4
16 "assign (resid 21 and name HD2 ) (resid 20 and name HA ) 2.4 0.6 0.3" 257 1 257 71 rr_1hfg 4
17
;assign (resid 29 and name HB1 ) (resid 30 and name HD2 ) 3.0 1.2 0.5
assign (resid 29 and name HB2 ) (resid 30 and name HD2 ) 3.0 1.2 0.5
;
271 1 273 71 rr_1hfg 4
18 "assign (resid 67 and name HD1 ) (resid 66 and name HA ) 2.4 0.6 0.3" 297 1 297 71 rr_1hfg 4
stop_
save_
save_CNS/XPLOR_distance_constraints_9
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_9
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 4
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 9
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 5
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 14 14 GLY H H . . . 1 1 12 12 CYS HA H . . . . . 4.0 1.8 4.5 . . . . . A . 12 CYS HA . . A . 14 GLY H . . . 12 . HA . . . . . 14 . HN . . rr_1hfg 5
2 1 . . 1 1 21 21 PRO HA H . . . 1 1 23 23 VAL H H . . . . . 4.0 1.8 4.5 . . . . . A . 21 PRO HA . . A . 23 VAL H . . . 21 . HA . . . . . 23 . HN . . rr_1hfg 5
3 1 . . 1 1 22 22 GLN HA H . . . 1 1 24 24 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 22 GLN HA . . A . 24 LEU H . . . 22 . HA . . . . . 24 . HN . . rr_1hfg 5
4 1 . . 1 1 25 25 LEU H H . . . 1 1 23 23 VAL HA H . . . . . 4.0 1.8 4.5 . . . . . A . 23 VAL HA . . A . 25 LEU H . . . 23 . HA . . . . . 25 . HN . . rr_1hfg 5
5 1 . . 1 1 25 25 LEU H H . . . 1 1 22 22 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 22 GLN HA . . A . 25 LEU H . . . 22 . HA . . . . . 25 . HN . . rr_1hfg 5
6 1 . . 1 1 57 57 ASP HA H . . . 1 1 60 60 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 57 ASP HA . . A . 60 LYS H . . . 57 . HA . . . . . 60 . HN . . rr_1hfg 5
7 1 . . 1 1 58 58 TRP HA H . . . 1 1 61 61 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 58 TRP HA . . A . 61 LYS H . . . 58 . HA . . . . . 61 . HN . . rr_1hfg 5
8 1 . . 1 1 63 63 MET H H . . . 1 1 60 60 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 60 LYS HA . . A . 63 MET H . . . 60 . HA . . . . . 63 . HN . . rr_1hfg 5
9 1 . . 1 1 61 61 LYS HA H . . . 1 1 64 64 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 61 LYS HA . . A . 64 GLN H . . . 61 . HA . . . . . 64 . HN . . rr_1hfg 5
10 1 . . 1 1 62 62 LEU HA H . . . 1 1 65 65 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 62 LEU HA . . A . 65 GLN H . . . 62 . HA . . . . . 65 . HN . . rr_1hfg 5
11 1 . . 1 1 57 57 ASP HA H . . . 1 1 61 61 LYS H H . . . . . 4.0 1.8 4.5 . . . . . A . 57 ASP HA . . A . 61 LYS H . . . 57 . HA . . . . . 61 . HN . . rr_1hfg 5
12 1 . . 1 1 58 58 TRP HA H . . . 1 1 62 62 LEU H H . . . . . 5.0 1.8 5.5 . . . . . A . 58 TRP HA . . A . 62 LEU H . . . 58 . HA . . . . . 62 . HN . . rr_1hfg 5
13 1 . . 1 1 18 18 ARG H H . . . 1 1 16 16 GLN HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 16 GLN HB2 . . A . 18 ARG H . . . 16 . HB2 . . . . . 18 . HN . . rr_1hfg 5
14 1 OR . 1 1 34 34 LEU H H . . . 1 1 32 32 SER HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 32 SER HB2 . . A . 34 LEU H . . . 32 . HB# . . . . . 34 . HN . . rr_1hfg 5
14 2 OR . 1 1 32 32 SER HB3 H . . . 1 1 34 34 LEU H H . . . . . 4.0 1.8 5.5 . . . . . A . 32 SER HB3 . . A . 34 LEU H . . . 32 . HB# . . . . . 34 . HN . . rr_1hfg 5
15 1 OR . 1 1 35 35 CYS H H . . . 1 1 32 32 SER HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 32 SER HB2 . . A . 35 CYS H . . . 32 . HB# . . . . . 35 . HN . . rr_1hfg 5
15 2 OR . 1 1 32 32 SER HB3 H . . . 1 1 35 35 CYS H H . . . . . 4.0 1.8 5.5 . . . . . A . 32 SER HB3 . . A . 35 CYS H . . . 32 . HB# . . . . . 35 . HN . . rr_1hfg 5
16 1 . . 1 1 35 35 CYS HB2 H . . . 1 1 37 37 LYS H H . . . . . 4.0 1.8 4.5 . . . . . A . 35 CYS HB2 . . A . 37 LYS H . . . 35 . HB2 . . . . . 37 . HN . . rr_1hfg 5
17 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 37 37 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 35 CYS HB3 . . A . 37 LYS H . . . 35 . HB1 . . . . . 37 . HN . . rr_1hfg 5
18 1 OR . 1 1 58 58 TRP H H . . . 1 1 56 56 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB2 . . A . 58 TRP H . . . 56 . HB# . . . . . 58 . HN . . rr_1hfg 5
18 2 OR . 1 1 56 56 LYS HB3 H . . . 1 1 58 58 TRP H H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB3 . . A . 58 TRP H . . . 56 . HB# . . . . . 58 . HN . . rr_1hfg 5
19 1 OR . 1 1 59 59 VAL H H . . . 1 1 56 56 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB2 . . A . 59 VAL H . . . 56 . HB# . . . . . 59 . HN . . rr_1hfg 5
19 2 OR . 1 1 56 56 LYS HB3 H . . . 1 1 59 59 VAL H H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB3 . . A . 59 VAL H . . . 56 . HB# . . . . . 59 . HN . . rr_1hfg 5
20 1 OR . 1 1 58 58 TRP HE1 H . . . 1 1 56 56 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB2 . . A . 58 TRP HE1 . . . 56 . HB# . . . . . 58 . HE1 . . rr_1hfg 5
20 2 OR . 1 1 58 58 TRP HE1 H . . . 1 1 56 56 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 56 LYS HB3 . . A . 58 TRP HE1 . . . 56 . HB# . . . . . 58 . HE1 . . rr_1hfg 5
21 1 OR . 1 1 58 58 TRP H H . . . 1 1 60 60 LYS HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 60 LYS HB2 . . A . 58 TRP H . . . 60 . HB# . . . . . 58 . HN . . rr_1hfg 5
21 2 OR . 1 1 58 58 TRP H H . . . 1 1 60 60 LYS HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 60 LYS HB3 . . A . 58 TRP H . . . 60 . HB# . . . . . 58 . HN . . rr_1hfg 5
22 1 . . 1 1 18 18 ARG H H . . . 1 1 16 16 GLN HE21 H . . . . . 5.0 1.8 5.5 . . . . . A . 16 GLN HE21 . . A . 18 ARG H . . . 16 . HE21 . . . . . 18 . HN . . rr_1hfg 5
23 1 . . 1 1 18 18 ARG H H . . . 1 1 16 16 GLN HE22 H . . . . . 5.0 1.8 5.5 . . . . . A . 16 GLN HE22 . . A . 18 ARG H . . . 16 . HE22 . . . . . 18 . HN . . rr_1hfg 5
24 1 OR . 1 1 24 24 LEU H H . . . 1 1 21 21 PRO HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 21 PRO HB2 . . A . 24 LEU H . . . 21 . HB# . . . . . 24 . HN . . rr_1hfg 5
24 2 OR . 1 1 24 24 LEU H H . . . 1 1 21 21 PRO HB3 H . . . . . 5.0 1.8 6.5 . . . . . A . 21 PRO HB3 . . A . 24 LEU H . . . 21 . HB# . . . . . 24 . HN . . rr_1hfg 5
25 1 OR . 1 1 24 24 LEU H H . . . 1 1 21 21 PRO HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 21 PRO HG2 . . A . 24 LEU H . . . 21 . HG# . . . . . 24 . HN . . rr_1hfg 5
25 2 OR . 1 1 24 24 LEU H H . . . 1 1 21 21 PRO HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 21 PRO HG3 . . A . 24 LEU H . . . 21 . HG# . . . . . 24 . HN . . rr_1hfg 5
26 1 OR . 1 1 26 26 SER H H . . . 1 1 24 24 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 24 LEU MD1 . . A . 26 SER H . . . 24 . HD# . . . . . 26 . HN . . rr_1hfg 5
26 2 OR . 1 1 24 24 LEU MD2 H . . . 1 1 26 26 SER H H . . . . . 4.0 1.8 6.5 . . . . . A . 24 LEU MD2 . . A . 26 SER H . . . 24 . HD# . . . . . 26 . HN . . rr_1hfg 5
27 1 OR . 1 1 18 18 ARG H H . . . 1 1 16 16 GLN HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 16 GLN HG2 . . A . 18 ARG H . . . 16 . HG# . . . . . 18 . HN . . rr_1hfg 5
27 2 OR . 1 1 16 16 GLN HG3 H . . . 1 1 18 18 ARG H H . . . . . 3.0 1.8 4.5 . . . . . A . 16 GLN HG3 . . A . 18 ARG H . . . 16 . HG# . . . . . 18 . HN . . rr_1hfg 5
28 1 . . 1 1 44 44 THR MG H . . . 1 1 48 48 ARG H H . . . . . 3.0 1.8 4.0 . . . . . A . 44 THR MG . . A . 48 ARG H . . . 44 . HG2# . . . . . 48 . HN . . rr_1hfg 5
29 1 . . 1 1 48 48 ARG H H . . . 1 1 44 44 THR H H . . . . . 3.0 1.8 3.5 . . . . . A . 48 ARG H . . A . 44 THR H . . . 48 . HN . . . . . 44 . HN . . rr_1hfg 5
30 1 . . 1 1 61 61 LYS H H . . . 1 1 59 59 VAL H H . . . . . 4.0 1.8 4.5 . . . . . A . 59 VAL H . . A . 61 LYS H . . . 59 . HN . . . . . 61 . HN . . rr_1hfg 5
31 1 OR . 1 1 57 57 ASP HA H . . . 1 1 60 60 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HB2 . . A . 57 ASP HA . . . 60 . HB# . . . . . 57 . HA . . rr_1hfg 5
31 2 OR . 1 1 57 57 ASP HA H . . . 1 1 60 60 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HB3 . . A . 57 ASP HA . . . 60 . HB# . . . . . 57 . HA . . rr_1hfg 5
32 1 OR . 1 1 58 58 TRP HA H . . . 1 1 61 61 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 61 LYS HB2 . . A . 58 TRP HA . . . 61 . HB# . . . . . 58 . HA . . rr_1hfg 5
32 2 OR . 1 1 58 58 TRP HA H . . . 1 1 61 61 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 61 LYS HB3 . . A . 58 TRP HA . . . 61 . HB# . . . . . 58 . HA . . rr_1hfg 5
33 1 . . 1 1 62 62 LEU HB3 H . . . 1 1 59 59 VAL HA H . . . . . 4.0 1.8 4.5 . . . . . A . 62 LEU HB3 . . A . 59 VAL HA . . . 62 . HB1 . . . . . 59 . HA . . rr_1hfg 5
34 1 . . 1 1 62 62 LEU HB2 H . . . 1 1 59 59 VAL HA H . . . . . 4.0 1.8 4.5 . . . . . A . 62 LEU HB2 . . A . 59 VAL HA . . . 62 . HB2 . . . . . 59 . HA . . rr_1hfg 5
35 1 OR . 1 1 60 60 LYS HA H . . . 1 1 63 63 MET HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 63 MET HB2 . . A . 60 LYS HA . . . 63 . HB# . . . . . 60 . HA . . rr_1hfg 5
35 2 OR . 1 1 63 63 MET HB3 H . . . 1 1 60 60 LYS HA H . . . . . 3.0 1.8 4.5 . . . . . A . 63 MET HB3 . . A . 60 LYS HA . . . 63 . HB# . . . . . 60 . HA . . rr_1hfg 5
36 1 OR . 1 1 61 61 LYS HA H . . . 1 1 64 64 GLN HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 64 GLN HB2 . . A . 61 LYS HA . . . 64 . HB# . . . . . 61 . HA . . rr_1hfg 5
36 2 OR . 1 1 61 61 LYS HA H . . . 1 1 64 64 GLN HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 64 GLN HB3 . . A . 61 LYS HA . . . 64 . HB# . . . . . 61 . HA . . rr_1hfg 5
37 1 . . 1 1 62 62 LEU HA H . . . 1 1 65 65 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HB3 . . A . 62 LEU HA . . . 65 . HB1 . . . . . 62 . HA . . rr_1hfg 5
38 1 . . 1 1 62 62 LEU HA H . . . 1 1 65 65 GLN HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HB2 . . A . 62 LEU HA . . . 65 . HB2 . . . . . 62 . HA . . rr_1hfg 5
39 1 . . 1 1 63 63 MET HA H . . . 1 1 66 66 LEU HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 66 LEU HB2 . . A . 63 MET HA . . . 66 . HB2 . . . . . 63 . HA . . rr_1hfg 5
40 1 . . 1 1 31 31 THR HA H . . . 1 1 29 29 TYR HD1 H . . . . . 4.0 1.8 4.5 . . . . . A . 31 THR HA . . A . 29 TYR HD1 . . . 31 . HA . . . . . 29 . HD1 . . rr_1hfg 5
41 1 . . 1 1 31 31 THR HA H . . . 1 1 29 29 TYR HE1 H . . . . . 4.0 1.8 4.5 . . . . . A . 31 THR HA . . A . 29 TYR HE1 . . . 31 . HA . . . . . 29 . HE1 . . rr_1hfg 5
42 1 . . 1 1 23 23 VAL MG1 H . . . 1 1 21 21 PRO HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 PRO HB2 . . A . 23 VAL MG1 . . . 21 . HB2 . . . . . 23 . HG1# . . rr_1hfg 5
43 1 . . 1 1 23 23 VAL MG2 H . . . 1 1 21 21 PRO HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 PRO HB2 . . A . 23 VAL MG2 . . . 21 . HB2 . . . . . 23 . HG2# . . rr_1hfg 5
44 1 OR . 1 1 53 53 ASP HB2 H . . . 1 1 56 56 LYS HG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 53 ASP HB2 . . A . 56 LYS HG2 . . . 53 . HB2 . . . . . 56 . HG# . . rr_1hfg 5
44 2 OR . 1 1 53 53 ASP HB2 H . . . 1 1 56 56 LYS HG3 H . . . . . 3.0 1.8 4.5 . . . . . A . 53 ASP HB2 . . A . 56 LYS HG3 . . . 53 . HB2 . . . . . 56 . HG# . . rr_1hfg 5
45 1 OR . 1 1 59 59 VAL MG2 H . . . 1 1 56 56 LYS HB2 H . . . . . 4.0 1.8 6.5 . . . . . A . 59 VAL MG2 . . A . 56 LYS HB2 . . . 59 . HG2# . . . . . 56 . HB# . . rr_1hfg 5
45 2 OR . 1 1 59 59 VAL MG2 H . . . 1 1 56 56 LYS HB3 H . . . . . 4.0 1.8 6.5 . . . . . A . 59 VAL MG2 . . A . 56 LYS HB3 . . . 59 . HG2# . . . . . 56 . HB# . . rr_1hfg 5
46 1 OR . 1 1 57 57 ASP HA H . . . 1 1 60 60 LYS HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HD2 . . A . 57 ASP HA . . . 60 . HD# . . . . . 57 . HA . . rr_1hfg 5
46 2 OR . 1 1 57 57 ASP HA H . . . 1 1 60 60 LYS HD3 H . . . . . 3.0 1.8 4.5 . . . . . A . 60 LYS HD3 . . A . 57 ASP HA . . . 60 . HD# . . . . . 57 . HA . . rr_1hfg 5
47 1 OR . 1 1 60 60 LYS HA H . . . 1 1 63 63 MET HG3 H . . . . . 4.0 2.8 5.5 . . . . . A . 63 MET HG3 . . A . 60 LYS HA . . . 63 . HG# . . . . . 60 . HA . . rr_1hfg 5
47 2 OR . 1 1 63 63 MET HG2 H . . . 1 1 60 60 LYS HA H . . . . . 4.0 2.8 5.5 . . . . . A . 63 MET HG2 . . A . 60 LYS HA . . . 63 . HG# . . . . . 60 . HA . . rr_1hfg 5
48 1 . . 1 1 22 22 GLN HA H . . . 1 1 25 25 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 25 LEU MD2 . . A . 22 GLN HA . . . 25 . HD2# . . . . . 22 . HA . . rr_1hfg 5
49 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 62 62 LEU MD1 H . . . . . 2.4 1.8 3.4 . . . . . A . 62 LEU MD1 . . A . 58 TRP HE3 . . . 62 . HD1# . . . . . 58 . HE3 . . rr_1hfg 5
50 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 62 62 LEU MD2 H . . . . . 5.0 1.8 6.0 . . . . . A . 62 LEU MD2 . . A . 58 TRP HE3 . . . 62 . HD2# . . . . . 58 . HE3 . . rr_1hfg 5
51 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 62 62 LEU MD1 H . . . . . 3.0 1.8 4.0 . . . . . A . 62 LEU MD1 . . A . 58 TRP HZ3 . . . 62 . HD1# . . . . . 58 . HZ3 . . rr_1hfg 5
52 1 . . 1 1 62 62 LEU MD1 H . . . 1 1 59 59 VAL HA H . . . . . 3.0 1.8 4.0 . . . . . A . 62 LEU MD1 . . A . 59 VAL HA . . . 62 . HD1# . . . . . 59 . HA . . rr_1hfg 5
53 1 OR . 1 1 21 21 PRO HD3 H . . . 1 1 24 24 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 24 LEU MD1 . . A . 21 PRO HD3 . . . 24 . HD# . . . . . 21 . HD# . . rr_1hfg 5
53 2 OR . 1 1 21 21 PRO HD2 H . . . 1 1 24 24 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 24 LEU MD1 . . A . 21 PRO HD2 . . . 24 . HD# . . . . . 21 . HD# . . rr_1hfg 5
53 3 OR . 1 1 24 24 LEU MD2 H . . . 1 1 21 21 PRO HD3 H . . . . . 3.0 1.8 5.5 . . . . . A . 24 LEU MD2 . . A . 21 PRO HD3 . . . 24 . HD# . . . . . 21 . HD# . . rr_1hfg 5
53 4 OR . 1 1 24 24 LEU MD2 H . . . 1 1 21 21 PRO HD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 24 LEU MD2 . . A . 21 PRO HD2 . . . 24 . HD# . . . . . 21 . HD# . . rr_1hfg 5
54 1 OR . 1 1 22 22 GLN HA H . . . 1 1 25 25 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU MD2 . . A . 22 GLN HA . . . 25 . HD# . . . . . 22 . HA . . rr_1hfg 5
54 2 OR . 1 1 22 22 GLN HA H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 25 LEU MD1 . . A . 22 GLN HA . . . 25 . HD# . . . . . 22 . HA . . rr_1hfg 5
55 1 . . 1 1 28 28 TRP HE3 H . . . 1 1 30 30 PRO HA H . . . . . 5.0 1.8 6.0 . . . . . A . 28 TRP HE3 . . A . 30 PRO HA . . . 28 . HE3 . . . . . 30 . HA . . rr_1hfg 5
56 1 OR . 1 1 63 63 MET HA H . . . 1 1 66 66 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 66 LEU MD1 . . A . 63 MET HA . . . 66 . HD# . . . . . 63 . HA . . rr_1hfg 5
56 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 63 63 MET HA H . . . . . 4.0 1.8 6.5 . . . . . A . 66 LEU MD2 . . A . 63 MET HA . . . 66 . HD# . . . . . 63 . HA . . rr_1hfg 5
57 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 62 62 LEU HG H . . . . . 4.0 1.8 4.5 . . . . . A . 62 LEU HG . . A . 58 TRP HE3 . . . 62 . HG . . . . . 58 . HE3 . . rr_1hfg 5
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 HA(i)-HN(i+2) 1 1 1 16 rr_1hfg 5
2 HA(i)-HN(i+3) 17 1 17 16 rr_1hfg 5
3 HA(i)-HN(i+4) 35 1 35 16 rr_1hfg 5
4 HB(i)-HN(i+2,3,4) 45 1 45 20 rr_1hfg 5
5 "assign (resid 25 and name HB2 ) (resid 27 and name HN ) 4.0 2.2 0.5" 51 1 51 78 rr_1hfg 5
6
;assign (resid 32 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 1.0
;
59 1 61 71 rr_1hfg 5
7
;assign (resid 60 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 1.0
Others
;
79 1 83 9 rr_1hfg 5
8 "assign (resid 24 and name HD2# ) (resid 26 and name HN ) 4.0 2.2 1.0" 97 1 97 71 rr_1hfg 5
9
;assign (resid 41 and name HG1# ) (resid 44 and name HN ) 2.4 0.6 1.0
assign (resid 41 and name HG12 ) (resid 44 and name HN ) 2.4 0.6 0.3
assign (resid 44 and name HG2# ) (resid 46 and name HN ) 4.0 2.2 1.0
;
105 1 111 71 rr_1hfg 5
10 HN(i)-HN(i+2,3,4) 117 1 117 20 rr_1hfg 5
11 HA(i)-HB(i+3) 127 1 127 16 rr_1hfg 5
12 Others 151 1 151 9 rr_1hfg 5
13 "assign (resid 24 and name HD2# ) (resid 21 and name HD1 ) 3.0 1.2 0.5" 185 1 185 71 rr_1hfg 5
14 "assign (resid 25 and name HD2# ) (resid 22 and name HA ) 4.0 2.2 1.0" 191 1 191 71 rr_1hfg 5
15 "assign (resid 66 and name HD2# ) (resid 63 and name HA ) 4.0 2.2 1.0" 201 1 201 71 rr_1hfg 5
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 5
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 6
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 14 14 GLY H H . . . 1 1 37 37 LYS HE2 H . . . . . 4.0 1.8 5.5 . . . . . A . 14 GLY H . . A . 37 LYS HE2 . . . 14 . HN . . . . . 37 . HE# . . rr_1hfg 6
1 2 OR . 1 1 14 14 GLY H H . . . 1 1 37 37 LYS HE3 H . . . . . 4.0 1.8 5.5 . . . . . A . 14 GLY H . . A . 37 LYS HE3 . . . 14 . HN . . . . . 37 . HE# . . rr_1hfg 6
2 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 53 53 ASP H H . . . . . 4.0 1.8 4.5 . . . . . A . 15 TYR HB2 . . A . 53 ASP H . . . 15 . HB2 . . . . . 53 . HN . . rr_1hfg 6
3 1 . . 1 1 52 52 ALA HA H . . . 1 1 16 16 GLN HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 16 GLN HB3 . . A . 52 ALA HA . . . 16 . HB1 . . . . . 52 . HA . . rr_1hfg 6
4 1 . . 1 1 58 58 TRP HH2 H . . . 1 1 16 16 GLN HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 16 GLN HB3 . . A . 58 TRP HH2 . . . 16 . HB1 . . . . . 58 . HH2 . . rr_1hfg 6
5 1 . . 1 1 58 58 TRP HH2 H . . . 1 1 16 16 GLN HB2 H . . . . . 3.0 0.8 3.5 . . . . . A . 16 GLN HB2 . . A . 58 TRP HH2 . . . 16 . HB2 . . . . . 58 . HH2 . . rr_1hfg 6
6 1 OR . 1 1 58 58 TRP HH2 H . . . 1 1 16 16 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 16 GLN HG2 . . A . 58 TRP HH2 . . . 16 . HG# . . . . . 58 . HH2 . . rr_1hfg 6
6 2 OR . 1 1 58 58 TRP HH2 H . . . 1 1 16 16 GLN HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 16 GLN HG3 . . A . 58 TRP HH2 . . . 16 . HG# . . . . . 58 . HH2 . . rr_1hfg 6
7 1 . . 1 1 58 58 TRP HZ2 H . . . 1 1 16 16 GLN HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLN HB3 . . A . 58 TRP HZ2 . . . 16 . HB1 . . . . . 58 . HZ2 . . rr_1hfg 6
8 1 . . 1 1 50 50 VAL MG2 H . . . 1 1 16 16 GLN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 16 GLN HB2 . . A . 50 VAL MG2 . . . 16 . HB2 . . . . . 50 . HG2# . . rr_1hfg 6
9 1 . . 1 1 50 50 VAL MG1 H . . . 1 1 16 16 GLN HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 16 GLN HB2 . . A . 50 VAL MG1 . . . 16 . HB2 . . . . . 50 . HG1# . . rr_1hfg 6
10 1 . . 1 1 58 58 TRP HZ2 H . . . 1 1 16 16 GLN HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLN HB2 . . A . 58 TRP HZ2 . . . 16 . HB2 . . . . . 58 . HZ2 . . rr_1hfg 6
11 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 16 16 GLN HB2 H . . . . . 5.0 1.8 5.5 . . . . . A . 16 GLN HB2 . . A . 58 TRP HZ3 . . . 16 . HB2 . . . . . 58 . HZ3 . . rr_1hfg 6
12 1 OR . 1 1 50 50 VAL MG1 H . . . 1 1 16 16 GLN HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 16 GLN HG2 . . A . 50 VAL MG1 . . . 16 . HG# . . . . . 50 . HG1# . . rr_1hfg 6
12 2 OR . 1 1 16 16 GLN HG3 H . . . 1 1 50 50 VAL MG1 H . . . . . 4.0 1.8 6.0 . . . . . A . 16 GLN HG3 . . A . 50 VAL MG1 . . . 16 . HG# . . . . . 50 . HG1# . . rr_1hfg 6
13 1 OR . 1 1 58 58 TRP HZ2 H . . . 1 1 16 16 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 16 GLN HG2 . . A . 58 TRP HZ2 . . . 16 . HG# . . . . . 58 . HZ2 . . rr_1hfg 6
13 2 OR . 1 1 16 16 GLN HG3 H . . . 1 1 58 58 TRP HZ2 H . . . . . 4.0 1.8 5.5 . . . . . A . 16 GLN HG3 . . A . 58 TRP HZ2 . . . 16 . HG# . . . . . 58 . HZ2 . . rr_1hfg 6
14 1 . . 1 1 58 58 TRP HZ2 H . . . 1 1 17 17 LYS HA H . . . . . 4.0 1.8 4.5 . . . . . A . 17 LYS HA . . A . 58 TRP HZ2 . . . 17 . HA . . . . . 58 . HZ2 . . rr_1hfg 6
15 1 OR . 1 1 58 58 TRP HE1 H . . . 1 1 19 19 PRO HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 19 PRO HG2 . . A . 58 TRP HE1 . . . 19 . HG# . . . . . 58 . HE1 . . rr_1hfg 6
15 2 OR . 1 1 19 19 PRO HG3 H . . . 1 1 58 58 TRP HE1 H . . . . . 4.0 1.8 5.5 . . . . . A . 19 PRO HG3 . . A . 58 TRP HE1 . . . 19 . HG# . . . . . 58 . HE1 . . rr_1hfg 6
16 1 OR . 1 1 58 58 TRP HZ2 H . . . 1 1 19 19 PRO HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 19 PRO HB2 . . A . 58 TRP HZ2 . . . 19 . HB# . . . . . 58 . HZ2 . . rr_1hfg 6
16 2 OR . 1 1 58 58 TRP HZ2 H . . . 1 1 19 19 PRO HB3 H . . . . . 5.0 1.8 6.5 . . . . . A . 19 PRO HB3 . . A . 58 TRP HZ2 . . . 19 . HB# . . . . . 58 . HZ2 . . rr_1hfg 6
17 1 OR . 1 1 58 58 TRP HE3 H . . . 1 1 19 19 PRO HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 19 PRO HB2 . . A . 58 TRP HE3 . . . 19 . HB# . . . . . 58 . HE3 . . rr_1hfg 6
17 2 OR . 1 1 19 19 PRO HB3 H . . . 1 1 58 58 TRP HE3 H . . . . . 3.0 1.8 4.5 . . . . . A . 19 PRO HB3 . . A . 58 TRP HE3 . . . 19 . HB# . . . . . 58 . HE3 . . rr_1hfg 6
18 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 20 20 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU H . . A . 58 TRP HE3 . . . 20 . HN . . . . . 58 . HE3 . . rr_1hfg 6
19 1 . . 1 1 58 58 TRP HH2 H . . . 1 1 20 20 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU H . . A . 58 TRP HH2 . . . 20 . HN . . . . . 58 . HH2 . . rr_1hfg 6
20 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 20 20 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 20 LEU H . . A . 58 TRP HZ3 . . . 20 . HN . . . . . 58 . HZ3 . . rr_1hfg 6
21 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 20 20 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU MD2 . . A . 58 TRP HZ3 . . . 20 . HD2# . . . . . 58 . HZ3 . . rr_1hfg 6
22 1 . . 1 1 58 58 TRP HH2 H . . . 1 1 20 20 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU MD2 . . A . 58 TRP HH2 . . . 20 . HD2# . . . . . 58 . HH2 . . rr_1hfg 6
23 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 20 20 LEU HB3 H . . . . . 5.0 1.8 6.0 . . . . . A . 20 LEU HB3 . . A . 58 TRP HZ3 . . . 20 . HB1 . . . . . 58 . HZ3 . . rr_1hfg 6
24 1 . . 1 1 58 58 TRP HZ3 H . . . 1 1 20 20 LEU HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HB2 . . A . 58 TRP HZ3 . . . 20 . HB2 . . . . . 58 . HZ3 . . rr_1hfg 6
25 1 . . 1 1 22 22 GLN HB2 H . . . 1 1 62 62 LEU MD2 H . . . . . 5.0 1.8 6.0 . . . . . A . 22 GLN HB2 . . A . 62 LEU MD2 . . . 22 . HB2 . . . . . 62 . HD2# . . rr_1hfg 6
26 1 OR . 1 1 22 22 GLN HG3 H . . . 1 1 62 62 LEU HG H . . . . . 4.0 1.8 5.5 . . . . . A . 22 GLN HG3 . . A . 62 LEU HG . . . 22 . HG# . . . . . 62 . HG# . . rr_1hfg 6
26 2 OR . 1 1 62 62 LEU HG H . . . 1 1 22 22 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 22 GLN HG2 . . A . 62 LEU HG . . . 22 . HG# . . . . . 62 . HG# . . rr_1hfg 6
27 1 . . 1 1 62 62 LEU MD2 H . . . 1 1 22 22 GLN H H . . . . . 4.0 1.8 5.0 . . . . . A . 22 GLN H . . A . 62 LEU MD2 . . . 22 . HN . . . . . 62 . HD2# . . rr_1hfg 6
28 1 OR . 1 1 22 22 GLN HG2 H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HG2 . . A . 66 LEU MD1 . . . 22 . HG# . . . . . 66 . HD# . . rr_1hfg 6
28 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 22 22 GLN HG2 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HG2 . . A . 66 LEU MD2 . . . 22 . HG# . . . . . 66 . HD# . . rr_1hfg 6
28 3 OR . 1 1 22 22 GLN HG3 H . . . 1 1 66 66 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HG3 . . A . 66 LEU MD2 . . . 22 . HG# . . . . . 66 . HD# . . rr_1hfg 6
28 4 OR . 1 1 22 22 GLN HG3 H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HG3 . . A . 66 LEU MD1 . . . 22 . HG# . . . . . 66 . HD# . . rr_1hfg 6
29 1 OR . 1 1 22 22 GLN HE21 H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HE21 . . A . 66 LEU MD1 . . . 22 . HE21 . . . . . 66 . HD# . . rr_1hfg 6
29 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 22 22 GLN HE21 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HE21 . . A . 66 LEU MD2 . . . 22 . HE21 . . . . . 66 . HD# . . rr_1hfg 6
30 1 OR . 1 1 22 22 GLN HE22 H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HE22 . . A . 66 LEU MD1 . . . 22 . HE22 . . . . . 66 . HD# . . rr_1hfg 6
30 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 22 22 GLN HE22 H . . . . . 3.0 1.8 5.5 . . . . . A . 22 GLN HE22 . . A . 66 LEU MD2 . . . 22 . HE22 . . . . . 66 . HD# . . rr_1hfg 6
31 1 OR . 1 1 46 46 ARG H H . . . 1 1 24 24 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 24 LEU MD1 . . A . 46 ARG H . . . 24 . HD# . . . . . 46 . HN . . rr_1hfg 6
31 2 OR . 1 1 24 24 LEU MD2 H . . . 1 1 46 46 ARG H H . . . . . 4.0 1.8 6.5 . . . . . A . 24 LEU MD2 . . A . 46 ARG H . . . 24 . HD# . . . . . 46 . HN . . rr_1hfg 6
32 1 . . 1 1 25 25 LEU HA H . . . 1 1 45 45 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 25 LEU HA . . A . 45 LYS H . . . 25 . HA . . . . . 45 . HN . . rr_1hfg 6
33 1 . . 1 1 45 45 LYS H H . . . 1 1 25 25 LEU MD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 25 LEU MD1 . . A . 45 LYS H . . . 25 . HD1# . . . . . 45 . HN . . rr_1hfg 6
34 1 . . 1 1 25 25 LEU HA H . . . 1 1 44 44 THR HA H . . . . . 2.4 1.8 2.9 . . . . . A . 25 LEU HA . . A . 44 THR HA . . . 25 . HA . . . . . 44 . HA . . rr_1hfg 6
35 1 . . 1 1 44 44 THR HA H . . . 1 1 25 25 LEU HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 25 LEU HB2 . . A . 44 THR HA . . . 25 . HB2 . . . . . 44 . HA . . rr_1hfg 6
36 1 . . 1 1 44 44 THR HA H . . . 1 1 25 25 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 25 LEU HB3 . . A . 44 THR HA . . . 25 . HB1 . . . . . 44 . HA . . rr_1hfg 6
37 1 . . 1 1 44 44 THR HA H . . . 1 1 25 25 LEU MD2 H . . . . . 5.0 1.8 6.0 . . . . . A . 25 LEU MD2 . . A . 44 THR HA . . . 25 . HD2# . . . . . 44 . HA . . rr_1hfg 6
38 1 . . 1 1 58 58 TRP HE3 H . . . 1 1 25 25 LEU MD2 H . . . . . 5.0 1.8 6.0 . . . . . A . 25 LEU MD2 . . A . 58 TRP HE3 . . . 25 . HD2# . . . . . 58 . HE3 . . rr_1hfg 6
39 1 . . 1 1 44 44 THR HA H . . . 1 1 25 25 LEU MD1 H . . . . . 2.4 1.8 3.4 . . . . . A . 25 LEU MD1 . . A . 44 THR HA . . . 25 . HD1# . . . . . 44 . HA . . rr_1hfg 6
40 1 . . 1 1 44 44 THR HB H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 4.0 . . . . . A . 25 LEU MD1 . . A . 44 THR HB . . . 25 . HD1# . . . . . 44 . HB . . rr_1hfg 6
41 1 . . 1 1 45 45 LYS H H . . . 1 1 26 26 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 26 SER H . . A . 45 LYS H . . . 26 . HN . . . . . 45 . HN . . rr_1hfg 6
42 1 OR . 1 1 45 45 LYS H H . . . 1 1 26 26 SER HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 26 SER HB2 . . A . 45 LYS H . . . 26 . HB# . . . . . 45 . HN . . rr_1hfg 6
42 2 OR . 1 1 45 45 LYS H H . . . 1 1 26 26 SER HB3 H . . . . . 5.0 1.8 6.5 . . . . . A . 26 SER HB3 . . A . 45 LYS H . . . 26 . HB# . . . . . 45 . HN . . rr_1hfg 6
43 1 . . 1 1 27 27 SER H H . . . 1 1 43 43 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 27 SER H . . A . 43 LEU H . . . 27 . HN . . . . . 43 . HN . . rr_1hfg 6
44 1 OR . 1 1 28 28 TRP HE1 H . . . 1 1 63 63 MET HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 28 TRP HE1 . . A . 63 MET HB2 . . . 28 . HE1 . . . . . 63 . HB# . . rr_1hfg 6
44 2 OR . 1 1 28 28 TRP HE1 H . . . 1 1 63 63 MET HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 28 TRP HE1 . . A . 63 MET HB3 . . . 28 . HE1 . . . . . 63 . HB# . . rr_1hfg 6
45 1 . . 1 1 28 28 TRP HZ3 H . . . 1 1 40 40 VAL MG1 H . . . . . 4.0 1.8 5.0 . . . . . A . 28 TRP HZ3 . . A . 40 VAL MG1 . . . 28 . HZ3 . . . . . 40 . HG1# . . rr_1hfg 6
46 1 . . 1 1 28 28 TRP HE3 H . . . 1 1 40 40 VAL HB H . . . . . 3.0 1.8 4.0 . . . . . A . 28 TRP HE3 . . A . 40 VAL HB . . . 28 . HE3 . . . . . 40 . HB . . rr_1hfg 6
47 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 28 28 TRP HE3 H . . . . . 4.0 1.8 5.0 . . . . . A . 28 TRP HE3 . . A . 40 VAL MG1 . . . 28 . HE3 . . . . . 40 . HG1# . . rr_1hfg 6
48 1 . . 1 1 28 28 TRP HE3 H . . . 1 1 40 40 VAL MG2 H . . . . . 3.0 1.8 4.0 . . . . . A . 28 TRP HE3 . . A . 40 VAL MG2 . . . 28 . HE3 . . . . . 40 . HG2# . . rr_1hfg 6
49 1 . . 1 1 28 28 TRP HH2 H . . . 1 1 63 63 MET ME H . . . . . 3.0 1.8 4.0 . . . . . A . 28 TRP HH2 . . A . 63 MET ME . . . 28 . HH2 . . . . . 63 . HE# . . rr_1hfg 6
50 1 OR . 1 1 42 42 PHE HA H . . . 1 1 28 28 TRP HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 28 TRP HB3 . . A . 42 PHE HA . . . 28 . HB# . . . . . 42 . HA . . rr_1hfg 6
50 2 OR . 1 1 28 28 TRP HB2 H . . . 1 1 42 42 PHE HA H . . . . . 3.0 1.8 4.5 . . . . . A . 28 TRP HB2 . . A . 42 PHE HA . . . 28 . HB# . . . . . 42 . HA . . rr_1hfg 6
51 1 . . 1 1 43 43 LEU H H . . . 1 1 28 28 TRP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 28 TRP HA . . A . 43 LEU H . . . 28 . HA . . . . . 43 . HN . . rr_1hfg 6
52 1 OR . 1 1 43 43 LEU H H . . . 1 1 28 28 TRP HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 28 TRP HB3 . . A . 43 LEU H . . . 28 . HB# . . . . . 43 . HN . . rr_1hfg 6
52 2 OR . 1 1 43 43 LEU H H . . . 1 1 28 28 TRP HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 28 TRP HB2 . . A . 43 LEU H . . . 28 . HB# . . . . . 43 . HN . . rr_1hfg 6
53 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 66 66 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 28 TRP HE1 . . A . 66 LEU H . . . 28 . HE1 . . . . . 66 . HN . . rr_1hfg 6
54 1 . . 1 1 28 28 TRP H H . . . 1 1 69 69 THR H H . . . . . 3.0 1.8 3.5 . . . . . A . 28 TRP H . . A . 69 THR H . . . 28 . HN . . . . . 69 . HN . . rr_1hfg 6
55 1 . . 1 1 69 69 THR H H . . . 1 1 29 29 TYR HB3 H . . . . . 5.0 1.8 5.5 . . . . . A . 29 TYR HB3 . . A . 69 THR H . . . 29 . HB1 . . . . . 69 . HN . . rr_1hfg 6
56 1 . . 1 1 69 69 THR H H . . . 1 1 29 29 TYR HB2 H . . . . . 5.0 1.8 5.5 . . . . . A . 29 TYR HB2 . . A . 69 THR H . . . 29 . HB2 . . . . . 69 . HN . . rr_1hfg 6
57 1 . . 1 1 30 30 PRO HA H . . . 1 1 40 40 VAL HA H . . . . . 2.4 1.8 2.9 . . . . . A . 30 PRO HA . . A . 40 VAL HA . . . 30 . HA . . . . . 40 . HA . . rr_1hfg 6
58 1 . . 1 1 30 30 PRO HA H . . . 1 1 41 41 ILE H H . . . . . 4.0 1.8 4.5 . . . . . A . 30 PRO HA . . A . 41 ILE H . . . 30 . HA . . . . . 41 . HN . . rr_1hfg 6
59 1 . . 1 1 31 31 THR HB H . . . 1 1 11 11 CYS HA H . . . . . 4.0 1.8 4.5 . . . . . A . 31 THR HB . . A . 11 CYS HA . . . 31 . HB . . . . . 11 . HA . . rr_1hfg 6
60 1 . . 1 1 11 11 CYS HA H . . . 1 1 31 31 THR MG H . . . . . 3.0 1.8 4.0 . . . . . A . 31 THR MG . . A . 11 CYS HA . . . 31 . HG2# . . . . . 11 . HA . . rr_1hfg 6
61 1 . . 1 1 40 40 VAL HA H . . . 1 1 31 31 THR MG H . . . . . 3.0 1.8 4.0 . . . . . A . 31 THR MG . . A . 40 VAL HA . . . 31 . HG2# . . . . . 40 . HA . . rr_1hfg 6
62 1 . . 1 1 31 31 THR MG H . . . 1 1 39 39 GLY H H . . . . . 3.0 1.8 4.0 . . . . . A . 31 THR MG . . A . 39 GLY H . . . 31 . HG2# . . . . . 39 . HN . . rr_1hfg 6
63 1 . . 1 1 39 39 GLY H H . . . 1 1 31 31 THR H H . . . . . 4.0 1.8 5.0 . . . . . A . 31 THR H . . A . 39 GLY H . . . 31 . HN . . . . . 39 . HN . . rr_1hfg 6
64 1 . . 1 1 35 35 CYS HB3 H . . . 1 1 11 11 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 35 CYS HB3 . . A . 11 CYS H . . . 35 . HB1 . . . . . 11 . HN . . rr_1hfg 6
65 1 OR . 1 1 13 13 LEU HA H . . . 1 1 37 37 LYS HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 37 LYS HB2 . . A . 13 LEU HA . . . 37 . HB# . . . . . 13 . HA . . rr_1hfg 6
65 2 OR . 1 1 37 37 LYS HB3 H . . . 1 1 13 13 LEU HA H . . . . . 5.0 1.8 6.5 . . . . . A . 37 LYS HB3 . . A . 13 LEU HA . . . 37 . HB# . . . . . 13 . HA . . rr_1hfg 6
66 1 OR . 1 1 13 13 LEU HA H . . . 1 1 37 37 LYS HD2 H . . . . . 5.0 1.8 6.5 . . . . . A . 37 LYS HD2 . . A . 13 LEU HA . . . 37 . HD# . . . . . 13 . HA . . rr_1hfg 6
66 2 OR . 1 1 13 13 LEU HA H . . . 1 1 37 37 LYS HD3 H . . . . . 5.0 1.8 6.5 . . . . . A . 37 LYS HD3 . . A . 13 LEU HA . . . 37 . HD# . . . . . 13 . HA . . rr_1hfg 6
67 1 OR . 1 1 13 13 LEU HA H . . . 1 1 37 37 LYS HG2 H . . . . . 2.4 1.8 3.9 . . . . . A . 37 LYS HG2 . . A . 13 LEU HA . . . 37 . HG# . . . . . 13 . HA . . rr_1hfg 6
67 2 OR . 1 1 13 13 LEU HA H . . . 1 1 37 37 LYS HG3 H . . . . . 2.4 1.8 3.9 . . . . . A . 37 LYS HG3 . . A . 13 LEU HA . . . 37 . HG# . . . . . 13 . HA . . rr_1hfg 6
68 1 . . 1 1 31 31 THR MG H . . . 1 1 38 38 PRO HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 38 PRO HB2 . . A . 31 THR MG . . . 38 . HB2 . . . . . 31 . HG2# . . rr_1hfg 6
69 1 . . 1 1 38 38 PRO HB2 H . . . 1 1 33 33 GLN HA H . . . . . 4.0 1.8 5.0 . . . . . A . 38 PRO HB2 . . A . 33 GLN HA . . . 38 . HB2 . . . . . 33 . HA . . rr_1hfg 6
70 1 OR . 1 1 54 54 LYS H H . . . 1 1 39 39 GLY HA2 H . . . . . 4.0 1.8 5.5 . . . . . A . 39 GLY HA2 . . A . 54 LYS H . . . 39 . HA# . . . . . 54 . HN . . rr_1hfg 6
70 2 OR . 1 1 39 39 GLY HA3 H . . . 1 1 54 54 LYS H H . . . . . 4.0 1.8 5.5 . . . . . A . 39 GLY HA3 . . A . 54 LYS H . . . 39 . HA# . . . . . 54 . HN . . rr_1hfg 6
71 1 . . 1 1 40 40 VAL HB H . . . 1 1 30 30 PRO HA H . . . . . 4.0 1.8 4.5 . . . . . A . 40 VAL HB . . A . 30 PRO HA . . . 40 . HB . . . . . 30 . HA . . rr_1hfg 6
72 1 . . 1 1 40 40 VAL MG2 H . . . 1 1 30 30 PRO HA H . . . . . 4.0 1.8 5.0 . . . . . A . 40 VAL MG2 . . A . 30 PRO HA . . . 40 . HG2# . . . . . 30 . HA . . rr_1hfg 6
73 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 30 30 PRO HA H . . . . . 3.0 1.8 4.0 . . . . . A . 40 VAL MG1 . . A . 30 PRO HA . . . 40 . HG1# . . . . . 30 . HA . . rr_1hfg 6
74 1 . . 1 1 40 40 VAL HA H . . . 1 1 31 31 THR H H . . . . . 3.0 1.8 3.5 . . . . . A . 40 VAL HA . . A . 31 THR H . . . 40 . HA . . . . . 31 . HN . . rr_1hfg 6
75 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 52 52 ALA H H . . . . . 5.0 1.8 6.0 . . . . . A . 40 VAL MG1 . . A . 52 ALA H . . . 40 . HG1# . . . . . 52 . HN . . rr_1hfg 6
76 1 . . 1 1 40 40 VAL MG2 H . . . 1 1 52 52 ALA H H . . . . . 5.0 1.8 6.0 . . . . . A . 40 VAL MG2 . . A . 52 ALA H . . . 40 . HG2# . . . . . 52 . HN . . rr_1hfg 6
77 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 29 29 TYR H H . . . . . 4.0 1.8 5.0 . . . . . A . 40 VAL MG1 . . A . 29 TYR H . . . 40 . HG1# . . . . . 29 . HN . . rr_1hfg 6
78 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 31 31 THR H H . . . . . 4.0 1.8 5.0 . . . . . A . 40 VAL MG1 . . A . 31 THR H . . . 40 . HG1# . . . . . 31 . HN . . rr_1hfg 6
79 1 . . 1 1 52 52 ALA H H . . . 1 1 41 41 ILE HA H . . . . . 4.0 1.8 4.5 . . . . . A . 41 ILE HA . . A . 52 ALA H . . . 41 . HA . . . . . 52 . HN . . rr_1hfg 6
80 1 . . 1 1 29 29 TYR H H . . . 1 1 41 41 ILE HB H . . . . . 4.0 1.8 4.5 . . . . . A . 41 ILE HB . . A . 29 TYR H . . . 41 . HB . . . . . 29 . HN . . rr_1hfg 6
81 1 . . 1 1 29 29 TYR H H . . . 1 1 41 41 ILE MG H . . . . . 5.0 1.8 6.0 . . . . . A . 41 ILE MG . . A . 29 TYR H . . . 41 . HG2# . . . . . 29 . HN . . rr_1hfg 6
82 1 . . 1 1 52 52 ALA H H . . . 1 1 41 41 ILE MD H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE MD . . A . 52 ALA H . . . 41 . HD1# . . . . . 52 . HN . . rr_1hfg 6
83 1 . . 1 1 41 41 ILE MG H . . . 1 1 50 50 VAL H H . . . . . 3.0 1.8 4.0 . . . . . A . 41 ILE MG . . A . 50 VAL H . . . 41 . HG2# . . . . . 50 . HN . . rr_1hfg 6
84 1 . . 1 1 41 41 ILE HA H . . . 1 1 51 51 CYS HA H . . . . . 2.4 1.8 2.9 . . . . . A . 41 ILE HA . . A . 51 CYS HA . . . 41 . HA . . . . . 51 . HA . . rr_1hfg 6
85 1 . . 1 1 41 41 ILE MD H . . . 1 1 51 51 CYS HA H . . . . . 3.0 1.8 4.0 . . . . . A . 41 ILE MD . . A . 51 CYS HA . . . 41 . HD1# . . . . . 51 . HA . . rr_1hfg 6
86 1 OR . 1 1 51 51 CYS HA H . . . 1 1 41 41 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HG12 . . A . 51 CYS HA . . . 41 . HG1# . . . . . 51 . HA . . rr_1hfg 6
86 2 OR . 1 1 51 51 CYS HA H . . . 1 1 41 41 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HG13 . . A . 51 CYS HA . . . 41 . HG1# . . . . . 51 . HA . . rr_1hfg 6
87 1 OR . 1 1 29 29 TYR HE2 H . . . 1 1 41 41 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HG12 . . A . 29 TYR HE2 . . . 41 . HG1# . . . . . 29 . HE2 . . rr_1hfg 6
87 2 OR . 1 1 41 41 ILE HG13 H . . . 1 1 29 29 TYR HE2 H . . . . . 4.0 1.8 5.0 . . . . . A . 41 ILE HG13 . . A . 29 TYR HE2 . . . 41 . HG1# . . . . . 29 . HE2 . . rr_1hfg 6
88 1 . . 1 1 42 42 PHE HB3 H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 4.5 . . . . . A . 42 PHE HB3 . . A . 25 LEU MD1 . . . 42 . HB1 . . . . . 25 . HD1# . . rr_1hfg 6
89 1 . . 1 1 42 42 PHE HB2 H . . . 1 1 25 25 LEU MD1 H . . . . . 3.0 1.8 4.5 . . . . . A . 42 PHE HB2 . . A . 25 LEU MD1 . . . 42 . HB2 . . . . . 25 . HD1# . . rr_1hfg 6
90 1 . . 1 1 42 42 PHE HA H . . . 1 1 28 28 TRP HA H . . . . . 2.4 1.8 2.9 . . . . . A . 42 PHE HA . . A . 28 TRP HA . . . 42 . HA . . . . . 28 . HA . . rr_1hfg 6
91 1 . . 1 1 42 42 PHE HA H . . . 1 1 29 29 TYR H H . . . . . 3.0 1.8 3.5 . . . . . A . 42 PHE HA . . A . 29 TYR H . . . 42 . HA . . . . . 29 . HN . . rr_1hfg 6
92 1 . . 1 1 50 50 VAL H H . . . 1 1 42 42 PHE HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 42 PHE HB2 . . A . 50 VAL H . . . 42 . HB2 . . . . . 50 . HN . . rr_1hfg 6
93 1 . . 1 1 42 42 PHE HB2 H . . . 1 1 50 50 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . A . 42 PHE HB2 . . A . 50 VAL HB . . . 42 . HB2 . . . . . 50 . HB . . rr_1hfg 6
94 1 . . 1 1 50 50 VAL H H . . . 1 1 42 42 PHE H H . . . . . 3.0 1.8 3.5 . . . . . A . 42 PHE H . . A . 50 VAL H . . . 42 . HN . . . . . 50 . HN . . rr_1hfg 6
95 1 . . 1 1 50 50 VAL MG1 H . . . 1 1 42 42 PHE HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 PHE HB2 . . A . 50 VAL MG1 . . . 42 . HB2 . . . . . 50 . HG1# . . rr_1hfg 6
96 1 . . 1 1 50 50 VAL MG2 H . . . 1 1 42 42 PHE HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 42 PHE HB2 . . A . 50 VAL MG2 . . . 42 . HB2 . . . . . 50 . HG2# . . rr_1hfg 6
97 1 . . 1 1 42 42 PHE HZ H . . . 1 1 59 59 VAL MG1 H . . . . . 3.0 1.8 4.0 . . . . . A . 42 PHE HZ . . A . 59 VAL MG1 . . . 42 . HZ . . . . . 59 . HG1# . . rr_1hfg 6
98 1 . . 1 1 42 42 PHE HZ H . . . 1 1 62 62 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 42 PHE HZ . . A . 62 LEU HB3 . . . 42 . HZ . . . . . 62 . HB1 . . rr_1hfg 6
99 1 . . 1 1 42 42 PHE HZ H . . . 1 1 62 62 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 42 PHE HZ . . A . 62 LEU HB2 . . . 42 . HZ . . . . . 62 . HB2 . . rr_1hfg 6
100 1 . . 1 1 42 42 PHE HZ H . . . 1 1 62 62 LEU MD1 H . . . . . 3.0 1.8 4.0 . . . . . A . 42 PHE HZ . . A . 62 LEU MD1 . . . 42 . HZ . . . . . 62 . HD1# . . rr_1hfg 6
101 1 . . 1 1 62 62 LEU MD2 H . . . 1 1 42 42 PHE HZ H . . . . . 5.0 1.8 6.0 . . . . . A . 42 PHE HZ . . A . 62 LEU MD2 . . . 42 . HZ . . . . . 62 . HD2# . . rr_1hfg 6
102 1 . . 1 1 42 42 PHE HZ H . . . 1 1 63 63 MET HG3 H . . . . . 4.0 1.8 4.5 . . . . . A . 42 PHE HZ . . A . 63 MET HG3 . . . 42 . HZ . . . . . 63 . HG1 . . rr_1hfg 6
103 1 . . 1 1 42 42 PHE HZ H . . . 1 1 63 63 MET HG2 H . . . . . 4.0 1.8 4.5 . . . . . A . 42 PHE HZ . . A . 63 MET HG2 . . . 42 . HZ . . . . . 63 . HG2 . . rr_1hfg 6
104 1 . . 1 1 42 42 PHE HZ H . . . 1 1 63 63 MET H H . . . . . 4.0 1.8 5.0 . . . . . A . 42 PHE HZ . . A . 63 MET H . . . 42 . HZ . . . . . 63 . HN . . rr_1hfg 6
105 1 . . 1 1 43 43 LEU HA H . . . 1 1 49 49 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 43 LEU HA . . A . 49 GLN HA . . . 43 . HA . . . . . 49 . HA . . rr_1hfg 6
106 1 OR . 1 1 26 26 SER H H . . . 1 1 43 43 LEU HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 43 LEU HB2 . . A . 26 SER H . . . 43 . HB# . . . . . 26 . HN . . rr_1hfg 6
106 2 OR . 1 1 26 26 SER H H . . . 1 1 43 43 LEU HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 43 LEU HB3 . . A . 26 SER H . . . 43 . HB# . . . . . 26 . HN . . rr_1hfg 6
107 1 OR . 1 1 27 27 SER H H . . . 1 1 43 43 LEU HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 43 LEU HB2 . . A . 27 SER H . . . 43 . HB# . . . . . 27 . HN . . rr_1hfg 6
107 2 OR . 1 1 27 27 SER H H . . . 1 1 43 43 LEU HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 43 LEU HB3 . . A . 27 SER H . . . 43 . HB# . . . . . 27 . HN . . rr_1hfg 6
108 1 OR . 1 1 28 28 TRP H H . . . 1 1 43 43 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 43 LEU MD2 . . A . 28 TRP H . . . 43 . HD# . . . . . 28 . HN . . rr_1hfg 6
108 2 OR . 1 1 28 28 TRP H H . . . 1 1 43 43 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 43 LEU MD1 . . A . 28 TRP H . . . 43 . HD# . . . . . 28 . HN . . rr_1hfg 6
109 1 . . 1 1 44 44 THR HA H . . . 1 1 26 26 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 44 THR HA . . A . 26 SER H . . . 44 . HA . . . . . 26 . HN . . rr_1hfg 6
110 1 . . 1 1 25 25 LEU HA H . . . 1 1 44 44 THR HB H . . . . . 3.0 1.8 3.5 . . . . . A . 44 THR HB . . A . 25 LEU HA . . . 44 . HB . . . . . 25 . HA . . rr_1hfg 6
111 1 . . 1 1 25 25 LEU HA H . . . 1 1 44 44 THR MG H . . . . . 4.0 1.8 5.0 . . . . . A . 44 THR MG . . A . 25 LEU HA . . . 44 . HG2# . . . . . 25 . HA . . rr_1hfg 6
112 1 OR . 1 1 25 25 LEU H H . . . 1 1 45 45 LYS HD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 45 LYS HD2 . . A . 25 LEU H . . . 45 . HD# . . . . . 25 . HN . . rr_1hfg 6
112 2 OR . 1 1 45 45 LYS HD3 H . . . 1 1 25 25 LEU H H . . . . . 3.0 1.8 4.5 . . . . . A . 45 LYS HD3 . . A . 25 LEU H . . . 45 . HD# . . . . . 25 . HN . . rr_1hfg 6
113 1 OR . 1 1 26 26 SER H H . . . 1 1 45 45 LYS HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 45 LYS HG3 . . A . 26 SER H . . . 45 . HG# . . . . . 26 . HN . . rr_1hfg 6
113 2 OR . 1 1 26 26 SER H H . . . 1 1 45 45 LYS HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 45 LYS HG2 . . A . 26 SER H . . . 45 . HG# . . . . . 26 . HN . . rr_1hfg 6
114 1 OR . 1 1 45 45 LYS HA H . . . 1 1 26 26 SER HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 45 LYS HA . . A . 26 SER HB2 . . . 45 . HA . . . . . 26 . HB# . . rr_1hfg 6
114 2 OR . 1 1 26 26 SER HB3 H . . . 1 1 45 45 LYS HA H . . . . . 4.0 1.8 5.5 . . . . . A . 45 LYS HA . . A . 26 SER HB3 . . . 45 . HA . . . . . 26 . HB# . . rr_1hfg 6
115 1 . . 1 1 45 45 LYS H H . . . 1 1 26 26 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 45 LYS H . . A . 26 SER H . . . 45 . HN . . . . . 26 . HN . . rr_1hfg 6
116 1 OR . 1 1 47 47 GLY HA3 H . . . 1 1 24 24 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 47 GLY HA3 . . A . 24 LEU MD1 . . . 47 . HA1 . . . . . 24 . HD# . . rr_1hfg 6
116 2 OR . 1 1 24 24 LEU MD2 H . . . 1 1 47 47 GLY HA3 H . . . . . 4.0 1.8 6.5 . . . . . A . 47 GLY HA3 . . A . 24 LEU MD2 . . . 47 . HA1 . . . . . 24 . HD# . . rr_1hfg 6
117 1 OR . 1 1 47 47 GLY HA2 H . . . 1 1 24 24 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 47 GLY HA2 . . A . 24 LEU MD1 . . . 47 . HA2 . . . . . 24 . HD# . . rr_1hfg 6
117 2 OR . 1 1 24 24 LEU MD2 H . . . 1 1 47 47 GLY HA2 H . . . . . 4.0 1.8 6.5 . . . . . A . 47 GLY HA2 . . A . 24 LEU MD2 . . . 47 . HA2 . . . . . 24 . HD# . . rr_1hfg 6
118 1 . . 1 1 41 41 ILE MG H . . . 1 1 49 49 GLN HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 49 GLN HB2 . . A . 41 ILE MG . . . 49 . HB2 . . . . . 41 . HG2# . . rr_1hfg 6
119 1 . . 1 1 41 41 ILE MG H . . . 1 1 49 49 GLN HB3 H . . . . . 3.0 1.8 4.0 . . . . . A . 49 GLN HB3 . . A . 41 ILE MG . . . 49 . HB1 . . . . . 41 . HG2# . . rr_1hfg 6
120 1 OR . 1 1 41 41 ILE MG H . . . 1 1 49 49 GLN HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 49 GLN HG3 . . A . 41 ILE MG . . . 49 . HG# . . . . . 41 . HG2# . . rr_1hfg 6
120 2 OR . 1 1 41 41 ILE MG H . . . 1 1 49 49 GLN HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 49 GLN HG2 . . A . 41 ILE MG . . . 49 . HG# . . . . . 41 . HG2# . . rr_1hfg 6
121 1 OR . 1 1 41 41 ILE HG13 H . . . 1 1 49 49 GLN HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 49 GLN HG3 . . A . 41 ILE HG13 . . . 49 . HG# . . . . . 41 . HG1# . . rr_1hfg 6
121 2 OR . 1 1 41 41 ILE HG12 H . . . 1 1 49 49 GLN HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 49 GLN HG3 . . A . 41 ILE HG12 . . . 49 . HG# . . . . . 41 . HG1# . . rr_1hfg 6
121 3 OR . 1 1 49 49 GLN HG2 H . . . 1 1 41 41 ILE HG12 H . . . . . 4.0 1.8 6.0 . . . . . A . 49 GLN HG2 . . A . 41 ILE HG12 . . . 49 . HG# . . . . . 41 . HG1# . . rr_1hfg 6
121 4 OR . 1 1 41 41 ILE HG13 H . . . 1 1 49 49 GLN HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 49 GLN HG2 . . A . 41 ILE HG13 . . . 49 . HG# . . . . . 41 . HG1# . . rr_1hfg 6
122 1 . . 1 1 41 41 ILE HA H . . . 1 1 50 50 VAL H H . . . . . 4.0 1.8 4.5 . . . . . A . 50 VAL H . . A . 41 ILE HA . . . 50 . HN . . . . . 41 . HA . . rr_1hfg 6
123 1 . . 1 1 50 50 VAL HB H . . . 1 1 42 42 PHE H H . . . . . 4.0 1.8 5.0 . . . . . A . 50 VAL HB . . A . 42 PHE H . . . 50 . HB . . . . . 42 . HN . . rr_1hfg 6
124 1 . . 1 1 50 50 VAL MG1 H . . . 1 1 16 16 GLN H H . . . . . 4.0 1.8 5.0 . . . . . A . 50 VAL MG1 . . A . 16 GLN H . . . 50 . HG1# . . . . . 16 . HN . . rr_1hfg 6
125 1 OR . 1 1 50 50 VAL HB H . . . 1 1 41 41 ILE HG12 H . . . . . 5.0 1.8 6.5 . . . . . A . 50 VAL HB . . A . 41 ILE HG12 . . . 50 . HB . . . . . 41 . HG1# . . rr_1hfg 6
125 2 OR . 1 1 41 41 ILE HG13 H . . . 1 1 50 50 VAL HB H . . . . . 5.0 1.8 6.5 . . . . . A . 50 VAL HB . . A . 41 ILE HG13 . . . 50 . HB . . . . . 41 . HG1# . . rr_1hfg 6
126 1 . . 1 1 51 51 CYS HA H . . . 1 1 40 40 VAL H H . . . . . 5.0 1.8 5.5 . . . . . A . 51 CYS HA . . A . 40 VAL H . . . 51 . HA . . . . . 40 . HN . . rr_1hfg 6
127 1 . . 1 1 51 51 CYS HA H . . . 1 1 42 42 PHE H H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HA . . A . 42 PHE H . . . 51 . HA . . . . . 42 . HN . . rr_1hfg 6
128 1 . . 1 1 16 16 GLN H H . . . 1 1 51 51 CYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HB3 . . A . 16 GLN H . . . 51 . HB1 . . . . . 16 . HN . . rr_1hfg 6
129 1 . . 1 1 16 16 GLN H H . . . 1 1 51 51 CYS HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HB2 . . A . 16 GLN H . . . 51 . HB2 . . . . . 16 . HN . . rr_1hfg 6
130 1 . . 1 1 51 51 CYS HB3 H . . . 1 1 15 15 TYR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 51 CYS HB3 . . A . 15 TYR HA . . . 51 . HB1 . . . . . 15 . HA . . rr_1hfg 6
131 1 . . 1 1 51 51 CYS HB2 H . . . 1 1 15 15 TYR HA H . . . . . 4.0 1.8 4.5 . . . . . A . 51 CYS HB2 . . A . 15 TYR HA . . . 51 . HB2 . . . . . 15 . HA . . rr_1hfg 6
132 1 . . 1 1 52 52 ALA H H . . . 1 1 40 40 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 52 ALA H . . A . 40 VAL H . . . 52 . HN . . . . . 40 . HN . . rr_1hfg 6
133 1 . . 1 1 58 58 TRP HZ2 H . . . 1 1 52 52 ALA MB H . . . . . 4.0 1.8 5.5 . . . . . A . 52 ALA MB . . A . 58 TRP HZ2 . . . 52 . HB# . . . . . 58 . HZ2 . . rr_1hfg 6
134 1 . . 1 1 58 58 TRP HH2 H . . . 1 1 52 52 ALA MB H . . . . . 4.0 1.8 5.0 . . . . . A . 52 ALA MB . . A . 58 TRP HH2 . . . 52 . HB# . . . . . 58 . HH2 . . rr_1hfg 6
135 1 . . 1 1 52 52 ALA MB H . . . 1 1 59 59 VAL MG2 H . . . . . 3.0 1.8 4.5 . . . . . A . 52 ALA MB . . A . 59 VAL MG2 . . . 52 . HB# . . . . . 59 . HG2# . . rr_1hfg 6
136 1 . . 1 1 59 59 VAL MG1 H . . . 1 1 52 52 ALA MB H . . . . . 3.0 1.8 4.5 . . . . . A . 52 ALA MB . . A . 59 VAL MG1 . . . 52 . HB# . . . . . 59 . HG1# . . rr_1hfg 6
137 1 . . 1 1 53 53 ASP H H . . . 1 1 59 59 VAL MG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 59 VAL MG2 . . A . 53 ASP H . . . 59 . HG2# . . . . . 53 . HN . . rr_1hfg 6
138 1 . . 1 1 59 59 VAL HB H . . . 1 1 54 54 LYS HA H . . . . . 4.0 1.8 4.5 . . . . . A . 59 VAL HB . . A . 54 LYS HA . . . 59 . HB . . . . . 54 . HA . . rr_1hfg 6
139 1 . . 1 1 59 59 VAL MG1 H . . . 1 1 54 54 LYS HA H . . . . . 3.0 1.8 4.0 . . . . . A . 59 VAL MG1 . . A . 54 LYS HA . . . 59 . HG1# . . . . . 54 . HA . . rr_1hfg 6
140 1 . . 1 1 59 59 VAL MG2 H . . . 1 1 54 54 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 59 VAL MG2 . . A . 54 LYS HA . . . 59 . HG2# . . . . . 54 . HA . . rr_1hfg 6
141 1 . . 1 1 62 62 LEU MD2 H . . . 1 1 25 25 LEU MD2 H . . . . . 3.0 1.8 4.5 . . . . . A . 62 LEU MD2 . . A . 25 LEU MD2 . . . 62 . HD2# . . . . . 25 . HD2# . . rr_1hfg 6
142 1 . . 1 1 62 62 LEU MD2 H . . . 1 1 22 22 GLN HA H . . . . . 3.0 1.8 4.0 . . . . . A . 62 LEU MD2 . . A . 22 GLN HA . . . 62 . HD2# . . . . . 22 . HA . . rr_1hfg 6
143 1 . . 1 1 63 63 MET HB3 H . . . 1 1 28 28 TRP HZ2 H . . . . . 5.0 1.8 5.5 . . . . . A . 63 MET HB3 . . A . 28 TRP HZ2 . . . 63 . HB1 . . . . . 28 . HZ2 . . rr_1hfg 6
144 1 . . 1 1 28 28 TRP HZ2 H . . . 1 1 63 63 MET HB2 H . . . . . 5.0 1.8 5.5 . . . . . A . 63 MET HB2 . . A . 28 TRP HZ2 . . . 63 . HB2 . . . . . 28 . HZ2 . . rr_1hfg 6
145 1 . . 1 1 63 63 MET ME H . . . 1 1 28 28 TRP HZ2 H . . . . . 3.0 1.8 4.5 . . . . . A . 63 MET ME . . A . 28 TRP HZ2 . . . 63 . HE# . . . . . 28 . HZ2 . . rr_1hfg 6
146 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 63 63 MET HA H . . . . . 2.4 1.8 2.9 . . . . . A . 63 MET HA . . A . 28 TRP HE1 . . . 63 . HA . . . . . 28 . HE1 . . rr_1hfg 6
147 1 . . 1 1 40 40 VAL MG1 H . . . 1 1 63 63 MET ME H . . . . . 3.0 1.8 4.0 . . . . . A . 63 MET ME . . A . 40 VAL MG1 . . . 63 . HE# . . . . . 40 . HG1# . . rr_1hfg 6
148 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 66 66 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 66 LEU HB3 . . A . 28 TRP HE1 . . . 66 . HB1 . . . . . 28 . HE1 . . rr_1hfg 6
149 1 . . 1 1 28 28 TRP H H . . . 1 1 66 66 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 66 LEU HB3 . . A . 28 TRP H . . . 66 . HB1 . . . . . 28 . HN . . rr_1hfg 6
150 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 66 66 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB2 . . A . 28 TRP HE1 . . . 66 . HB2 . . . . . 28 . HE1 . . rr_1hfg 6
151 1 . . 1 1 28 28 TRP H H . . . 1 1 66 66 LEU HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 66 LEU HB2 . . A . 28 TRP H . . . 66 . HB2 . . . . . 28 . HN . . rr_1hfg 6
152 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 66 66 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU H . . A . 28 TRP HE1 . . . 66 . HN . . . . . 28 . HE1 . . rr_1hfg 6
153 1 . . 1 1 66 66 LEU HA H . . . 1 1 28 28 TRP HD1 H . . . . . 5.0 1.8 5.5 . . . . . A . 66 LEU HA . . A . 28 TRP HD1 . . . 66 . HA . . . . . 28 . HD1 . . rr_1hfg 6
154 1 . . 1 1 66 66 LEU HB3 H . . . 1 1 27 27 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB3 . . A . 27 SER HA . . . 66 . HB1 . . . . . 27 . HA . . rr_1hfg 6
155 1 . . 1 1 66 66 LEU HB3 H . . . 1 1 28 28 TRP HD1 H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB3 . . A . 28 TRP HD1 . . . 66 . HB1 . . . . . 28 . HD1 . . rr_1hfg 6
156 1 . . 1 1 66 66 LEU HB2 H . . . 1 1 27 27 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU HB2 . . A . 27 SER HA . . . 66 . HB2 . . . . . 27 . HA . . rr_1hfg 6
157 1 . . 1 1 66 66 LEU HB2 H . . . 1 1 28 28 TRP HD1 H . . . . . 2.4 1.8 2.9 . . . . . A . 66 LEU HB2 . . A . 28 TRP HD1 . . . 66 . HB2 . . . . . 28 . HD1 . . rr_1hfg 6
158 1 . . 1 1 66 66 LEU HA H . . . 1 1 27 27 SER HA H . . . . . 4.0 1.8 4.5 . . . . . A . 66 LEU HA . . A . 27 SER HA . . . 66 . HA . . . . . 27 . HA . . rr_1hfg 6
159 1 OR . 1 1 22 22 GLN HA H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD1 . . A . 22 GLN HA . . . 66 . HD# . . . . . 22 . HA . . rr_1hfg 6
159 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 22 22 GLN HA H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD2 . . A . 22 GLN HA . . . 66 . HD# . . . . . 22 . HA . . rr_1hfg 6
160 1 OR . 1 1 26 26 SER HA H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD1 . . A . 26 SER HA . . . 66 . HD# . . . . . 26 . HA . . rr_1hfg 6
160 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 26 26 SER HA H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD2 . . A . 26 SER HA . . . 66 . HD# . . . . . 26 . HA . . rr_1hfg 6
161 1 OR . 1 1 27 27 SER HA H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD1 . . A . 27 SER HA . . . 66 . HD# . . . . . 27 . HA . . rr_1hfg 6
161 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 27 27 SER HA H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD2 . . A . 27 SER HA . . . 66 . HD# . . . . . 27 . HA . . rr_1hfg 6
162 1 OR . 1 1 62 62 LEU HA H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD1 . . A . 62 LEU HA . . . 66 . HD# . . . . . 62 . HA . . rr_1hfg 6
162 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 62 62 LEU HA H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD2 . . A . 62 LEU HA . . . 66 . HD# . . . . . 62 . HA . . rr_1hfg 6
163 1 OR . 1 1 66 66 LEU MD1 H . . . 1 1 67 67 PRO HD3 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD1 . . A . 67 PRO HD3 . . . 66 . HD# . . . . . 67 . HD# . . rr_1hfg 6
163 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 67 67 PRO HD3 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD2 . . A . 67 PRO HD3 . . . 66 . HD# . . . . . 67 . HD# . . rr_1hfg 6
163 3 OR . 1 1 67 67 PRO HD2 H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD1 . . A . 67 PRO HD2 . . . 66 . HD# . . . . . 67 . HD# . . rr_1hfg 6
163 4 OR . 1 1 66 66 LEU MD2 H . . . 1 1 67 67 PRO HD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD2 . . A . 67 PRO HD2 . . . 66 . HD# . . . . . 67 . HD# . . rr_1hfg 6
164 1 OR . 1 1 28 28 TRP HD1 H . . . 1 1 66 66 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD1 . . A . 28 TRP HD1 . . . 66 . HD# . . . . . 28 . HD1 . . rr_1hfg 6
164 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 28 28 TRP HD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 66 LEU MD2 . . A . 28 TRP HD1 . . . 66 . HD# . . . . . 28 . HD1 . . rr_1hfg 6
165 1 . . 1 1 27 27 SER HA H . . . 1 1 68 68 VAL HA H . . . . . 4.0 1.8 4.5 . . . . . A . 68 VAL HA . . A . 27 SER HA . . . 68 . HA . . . . . 27 . HA . . rr_1hfg 6
166 1 . . 1 1 28 28 TRP H H . . . 1 1 68 68 VAL HA H . . . . . 4.0 1.8 4.5 . . . . . A . 68 VAL HA . . A . 28 TRP H . . . 68 . HA . . . . . 28 . HN . . rr_1hfg 6
167 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 68 68 VAL HA H . . . . . 4.0 1.8 4.5 . . . . . A . 68 VAL HA . . A . 28 TRP HE1 . . . 68 . HA . . . . . 28 . HE1 . . rr_1hfg 6
168 1 . . 1 1 28 28 TRP HE1 H . . . 1 1 68 68 VAL MG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 68 VAL MG2 . . A . 28 TRP HE1 . . . 68 . HG2# . . . . . 28 . HE1 . . rr_1hfg 6
169 1 . . 1 1 28 28 TRP HH2 H . . . 1 1 68 68 VAL MG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 68 VAL MG2 . . A . 28 TRP HH2 . . . 68 . HG2# . . . . . 28 . HH2 . . rr_1hfg 6
170 1 . . 1 1 28 28 TRP HZ2 H . . . 1 1 68 68 VAL MG1 H . . . . . 5.0 1.8 6.0 . . . . . A . 68 VAL MG1 . . A . 28 TRP HZ2 . . . 68 . HG1# . . . . . 28 . HZ2 . . rr_1hfg 6
171 1 . . 1 1 28 28 TRP HZ2 H . . . 1 1 68 68 VAL MG2 H . . . . . 3.0 1.8 4.0 . . . . . A . 68 VAL MG2 . . A . 28 TRP HZ2 . . . 68 . HG2# . . . . . 28 . HZ2 . . rr_1hfg 6
172 1 . . 1 1 28 28 TRP HZ3 H . . . 1 1 68 68 VAL MG2 H . . . . . 5.0 2.8 6.0 . . . . . A . 68 VAL MG2 . . A . 28 TRP HZ3 . . . 68 . HG2# . . . . . 28 . HZ3 . . rr_1hfg 6
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "Tyr 15" 5 1 5 9 rr_1hfg 6
2 "Gln 16" 13 1 13 9 rr_1hfg 6
3 "Lys 17" 41 1 41 9 rr_1hfg 6
4 "Pro 19" 49 1 49 9 rr_1hfg 6
5 "assign (resid 19 and name HG1 ) (resid 58 and name HE1 ) 4.0 2.2 1.0" 55 1 55 71 rr_1hfg 6
6
;assign (resid 19 and name HB1 ) (resid 58 and name HE3 ) 3.0 1.2 0.5
Leu 20
;
63 1 67 9 rr_1hfg 6
7 "Gln 22" 87 1 87 9 rr_1hfg 6
8 "From Water Spectrum, Intensity is greater" 95 1 95 44 rr_1hfg 6
9 "Leu 24" 113 1 113 9 rr_1hfg 6
10
;assign (resid 24 and name HG ) (resid 43 and name HA ) 3.0 1.2 0.5
Leu 25
;
119 1 123 9 rr_1hfg 6
11 "assign (resid 25 and name HB1 ) (resid 66 and name HD2# ) 3.0 1.2 0.5" 139 1 139 72 rr_1hfg 6
12 "Ser 26" 153 1 153 9 rr_1hfg 6
13 "Ser 27" 163 1 163 9 rr_1hfg 6
14
;Trp 28
HE1
;
171 1 175 6 rr_1hfg 6
15 HZ3 183 1 183 6 rr_1hfg 6
16 HE3 191 1 191 6 rr_1hfg 6
17 HH2 203 1 203 6 rr_1hfg 6
18
;assign (resid 28 and name HB1 ) (resid 42 and name HA ) 3.0 1.2 0.5
assign (resid 28 and name HB1 ) (resid 42 and name HD1 ) 3.0 1.2 0.5
assign (resid 28 and name HB2 ) (resid 42 and name HD1 ) 3.0 1.2 0.5
;
211 1 215 71 rr_1hfg 6
19 "assign (resid 28 and name HB2 ) (resid 43 and name HN ) 3.0 1.2 0.5" 225 1 225 71 rr_1hfg 6
20 "This is a tough one!" 233 1 233 22 rr_1hfg 6
21 "Tyr 29" 239 1 239 9 rr_1hfg 6
22 "Pro 30" 249 1 249 9 rr_1hfg 6
23 "Thr 31" 259 1 259 9 rr_1hfg 6
24 "Cys 35" 275 1 275 9 rr_1hfg 6
25 "Lys 37" 283 1 283 10 rr_1hfg 6
26 "Pro 38" 295 1 295 9 rr_1hfg 6
27 "Gly 39" 305 1 305 9 rr_1hfg 6
28
;assign (resid 39 and name HA1 ) (resid 54 and name HN ) 4.0 2.2 1.0
Val 40
;
309 1 313 9 rr_1hfg 6
29 "Ile 41" 335 1 335 9 rr_1hfg 6
30
;assign (resid 41 and name HG11 ) (resid 51 and name HA ) 4.0 2.2 1.0
assign (resid 41 and name HG12 ) (resid 29 and name HE2 ) 4.0 2.2 1.0
Phe 42
;
359 1 367 9 rr_1hfg 6
31 "assign (resid 42 and name HB1 ) (resid 29 and name HN ) 3.0 1.2 0.5" 383 1 383 71 rr_1hfg 6
32 "Leu 43" 409 1 409 9 rr_1hfg 6
33
;assign (resid 43 and name HD# ) (resid 48 and name HN ) 4.0 2.2 2.5
assign (resid 43 and name HB1 ) (resid 26 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HB1 ) (resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 43 and name HD1# ) (resid 68 and name HN ) 3.0 1.2 0.5
assign (resid 43 and name HD2# ) (resid 28 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HD2# ) (resid 48 and name HN ) 4.0 2.2 1.0
Thr 44
;
423 1 439 9 rr_1hfg 6
34 "Lys 45" 451 1 451 9 rr_1hfg 6
35 "assign (resid 45 and name HG1 ) (resid 26 and name HN ) 4.0 2.2 1.0" 459 1 459 71 rr_1hfg 6
36 "Gly 47" 467 1 467 9 rr_1hfg 6
37 "Gln 49" 475 1 475 9 rr_1hfg 6
38 "Val 50" 489 1 489 9 rr_1hfg 6
39 "Cys 51" 503 1 503 9 rr_1hfg 6
40 "Ala 52" 521 1 521 9 rr_1hfg 6
41 "Val 59" 537 1 537 9 rr_1hfg 6
42 "assign (resid 59 and name HG2# ) (resid 54 and name HN ) 4.0 2.2 1.0" 547 1 547 71 rr_1hfg 6
43 "Leu 62" 553 1 553 9 rr_1hfg 6
44 "Met 63" 563 1 563 9 rr_1hfg 6
45 "Leu 66" 579 1 579 9 rr_1hfg 6
46
;Pro 67
assign (resid 67 and name HD2 ) (resid 28 and name HE1 ) 4.0 2.2 0.5
Val 68
;
619 1 627 9 rr_1hfg 6
47
;assign (resid 68 and name HG1# ) (resid 28 and name HE1 ) 3.0 1.2 0.5
assign (resid 68 and name HG1# ) (resid 28 and name HH2 ) 4.0 2.2 1.0
assign (resid 68 and name HG1# ) (resid 28 and name HZ2 ) 3.0 1.2 0.5
assign (resid 68 and name HG1# ) (resid 28 and name HZ3 ) 4.0 2.2 1.0
;
649 1 655 71 rr_1hfg 6
stop_
save_
save_CNS/XPLOR_distance_constraints_11
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_11
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 5
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 11
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 7
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ASP H H . . . . . 4.0 1.8 4.5 . . . . . A . 10 LYS H . . A . 9 ASP H . . . 10 . HN . . . . . 9 . HN . . rr_1hfg 7
2 1 . . 1 1 18 18 ARG H H . . . 1 1 17 17 LYS H H . . . . . 4.0 1.8 4.5 . . . . . A . 18 ARG H . . A . 17 LYS H . . . 18 . HN . . . . . 17 . HN . . rr_1hfg 7
3 1 . . 1 1 22 22 GLN H H . . . 1 1 23 23 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 23 VAL H . . A . 22 GLN H . . . 23 . HN . . . . . 22 . HN . . rr_1hfg 7
4 1 . . 1 1 23 23 VAL H H . . . 1 1 24 24 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 24 LEU H . . A . 23 VAL H . . . 24 . HN . . . . . 23 . HN . . rr_1hfg 7
5 1 . . 1 1 25 25 LEU H H . . . 1 1 24 24 LEU H H . . . . . 2.4 1.8 2.9 . . . . . A . 25 LEU H . . A . 24 LEU H . . . 25 . HN . . . . . 24 . HN . . rr_1hfg 7
6 1 . . 1 1 26 26 SER H H . . . 1 1 27 27 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 27 SER H . . A . 26 SER H . . . 27 . HN . . . . . 26 . HN . . rr_1hfg 7
7 1 . . 1 1 34 34 LEU H H . . . 1 1 33 33 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 34 LEU H . . A . 33 GLN H . . . 34 . HN . . . . . 33 . HN . . rr_1hfg 7
8 1 . . 1 1 34 34 LEU H H . . . 1 1 35 35 CYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 35 CYS H . . A . 34 LEU H . . . 35 . HN . . . . . 34 . HN . . rr_1hfg 7
9 1 . . 1 1 37 37 LYS H H . . . 1 1 36 36 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 37 LYS H . . A . 36 SER H . . . 37 . HN . . . . . 36 . HN . . rr_1hfg 7
10 1 . . 1 1 46 46 ARG H H . . . 1 1 47 47 GLY H H . . . . . 2.4 1.8 2.9 . . . . . A . 46 ARG H . . A . 47 GLY H . . . 46 . HN . . . . . 47 . HN . . rr_1hfg 7
11 1 . . 1 1 48 48 ARG H H . . . 1 1 47 47 GLY H H . . . . . 3.0 1.8 3.5 . . . . . A . 47 GLY H . . A . 48 ARG H . . . 47 . HN . . . . . 48 . HN . . rr_1hfg 7
12 1 . . 1 1 50 50 VAL H H . . . 1 1 49 49 GLN H H . . . . . 5.0 1.8 5.5 . . . . . A . 49 GLN H . . A . 50 VAL H . . . 49 . HN . . . . . 50 . HN . . rr_1hfg 7
13 1 . . 1 1 54 54 LYS H H . . . 1 1 55 55 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 55 SER H . . A . 54 LYS H . . . 55 . HN . . . . . 54 . HN . . rr_1hfg 7
14 1 . . 1 1 55 55 SER H H . . . 1 1 56 56 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 56 LYS H . . A . 55 SER H . . . 56 . HN . . . . . 55 . HN . . rr_1hfg 7
15 1 . . 1 1 58 58 TRP H H . . . 1 1 57 57 ASP H H . . . . . 4.0 1.8 4.5 . . . . . A . 58 TRP H . . A . 57 ASP H . . . 58 . HN . . . . . 57 . HN . . rr_1hfg 7
16 1 . . 1 1 59 59 VAL H H . . . 1 1 58 58 TRP HD1 H . . . . . 4.0 1.8 4.5 . . . . . A . 59 VAL H . . A . 58 TRP HD1 . . . 59 . HN . . . . . 58 . HD1 . . rr_1hfg 7
17 1 . . 1 1 58 58 TRP H H . . . 1 1 59 59 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 59 VAL H . . A . 58 TRP H . . . 59 . HN . . . . . 58 . HN . . rr_1hfg 7
18 1 . . 1 1 60 60 LYS H H . . . 1 1 59 59 VAL H H . . . . . 2.4 1.8 2.9 . . . . . A . 59 VAL H . . A . 60 LYS H . . . 59 . HN . . . . . 60 . HN . . rr_1hfg 7
19 1 . . 1 1 60 60 LYS H H . . . 1 1 61 61 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 60 LYS H . . A . 61 LYS H . . . 60 . HN . . . . . 61 . HN . . rr_1hfg 7
20 1 . . 1 1 61 61 LYS H H . . . 1 1 62 62 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 62 LEU H . . A . 61 LYS H . . . 62 . HN . . . . . 61 . HN . . rr_1hfg 7
21 1 . . 1 1 63 63 MET H H . . . 1 1 62 62 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 63 MET H . . A . 62 LEU H . . . 63 . HN . . . . . 62 . HN . . rr_1hfg 7
22 1 . . 1 1 63 63 MET H H . . . 1 1 64 64 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 64 GLN H . . A . 63 MET H . . . 64 . HN . . . . . 63 . HN . . rr_1hfg 7
23 1 . . 1 1 64 64 GLN H H . . . 1 1 65 65 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN H . . A . 64 GLN H . . . 65 . HN . . . . . 64 . HN . . rr_1hfg 7
24 1 . . 1 1 66 66 LEU H H . . . 1 1 65 65 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 66 LEU H . . A . 65 GLN H . . . 66 . HN . . . . . 65 . HN . . rr_1hfg 7
25 1 . . 1 1 70 70 ALA H H . . . 1 1 71 71 ARG H H . . . . . 4.0 1.8 4.5 . . . . . A . 70 ALA H . . A . 71 ARG H . . . 70 . HN . . . . . 71 . HN . . rr_1hfg 7
26 1 . . 1 1 3 3 ALA HA H . . . 1 1 4 4 SER H H . . . . . 4.0 1.8 4.5 . . . . . A . 3 ALA HA . . A . 4 SER H . . . 3 . HA . . . . . 4 . HN . . rr_1hfg 7
27 1 . . 1 1 4 4 SER HA H . . . 1 1 5 5 TRP H H . . . . . 3.0 1.8 3.5 . . . . . A . 4 SER HA . . A . 5 TRP H . . . 4 . HA . . . . . 5 . HN . . rr_1hfg 7
28 1 . . 1 1 5 5 TRP HA H . . . 1 1 6 6 HIS H H . . . . . 3.0 1.8 3.5 . . . . . A . 5 TRP HA . . A . 6 HIS H . . . 5 . HA . . . . . 6 . HN . . rr_1hfg 7
29 1 . . 1 1 6 6 HIS HA H . . . 1 1 7 7 ARG H H . . . . . 3.0 1.8 3.5 . . . . . A . 6 HIS HA . . A . 7 ARG H . . . 6 . HA . . . . . 7 . HN . . rr_1hfg 7
30 1 . . 1 1 9 9 ASP H H . . . 1 1 8 8 PRO HA H . . . . . 2.4 1.8 2.9 . . . . . A . 8 PRO HA . . A . 9 ASP H . . . 8 . HA . . . . . 9 . HN . . rr_1hfg 7
31 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ASP HA . . A . 10 LYS H . . . 9 . HA . . . . . 10 . HN . . rr_1hfg 7
32 1 . . 1 1 11 11 CYS H H . . . 1 1 10 10 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 10 LYS HA . . A . 11 CYS H . . . 10 . HA . . . . . 11 . HN . . rr_1hfg 7
33 1 . . 1 1 11 11 CYS HA H . . . 1 1 12 12 CYS H H . . . . . 4.0 1.8 4.5 . . . . . A . 11 CYS HA . . A . 12 CYS H . . . 11 . HA . . . . . 12 . HN . . rr_1hfg 7
34 1 . . 1 1 12 12 CYS HA H . . . 1 1 13 13 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 12 CYS HA . . A . 13 LEU H . . . 12 . HA . . . . . 13 . HN . . rr_1hfg 7
35 1 . . 1 1 14 14 GLY H H . . . 1 1 13 13 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 13 LEU HA . . A . 14 GLY H . . . 13 . HA . . . . . 14 . HN . . rr_1hfg 7
36 1 . . 1 1 15 15 TYR H H . . . 1 1 14 14 GLY HA3 H . . . . . 2.4 1.6 2.9 . . . . . A . 14 GLY HA3 . . A . 15 TYR H . . . 14 . HA1 . . . . . 15 . HN . . rr_1hfg 7
37 1 . . 1 1 15 15 TYR H H . . . 1 1 14 14 GLY HA2 H . . . . . 2.4 1.6 2.9 . . . . . A . 14 GLY HA2 . . A . 15 TYR H . . . 14 . HA2 . . . . . 15 . HN . . rr_1hfg 7
38 1 . . 1 1 16 16 GLN H H . . . 1 1 15 15 TYR HA H . . . . . 2.4 1.8 2.9 . . . . . A . 15 TYR HA . . A . 16 GLN H . . . 15 . HA . . . . . 16 . HN . . rr_1hfg 7
39 1 . . 1 1 17 17 LYS H H . . . 1 1 16 16 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLN HA . . A . 17 LYS H . . . 16 . HA . . . . . 17 . HN . . rr_1hfg 7
40 1 . . 1 1 17 17 LYS HA H . . . 1 1 18 18 ARG H H . . . . . 3.0 1.8 3.5 . . . . . A . 17 LYS HA . . A . 18 ARG H . . . 17 . HA . . . . . 18 . HN . . rr_1hfg 7
41 1 . . 1 1 20 20 LEU H H . . . 1 1 19 19 PRO HA H . . . . . 4.0 1.8 4.5 . . . . . A . 19 PRO HA . . A . 20 LEU H . . . 19 . HA . . . . . 20 . HN . . rr_1hfg 7
42 1 . . 1 1 22 22 GLN H H . . . 1 1 21 21 PRO HA H . . . . . 2.4 1.8 2.9 . . . . . A . 21 PRO HA . . A . 22 GLN H . . . 21 . HA . . . . . 22 . HN . . rr_1hfg 7
43 1 . . 1 1 22 22 GLN HA H . . . 1 1 23 23 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 22 GLN HA . . A . 23 VAL H . . . 22 . HA . . . . . 23 . HN . . rr_1hfg 7
44 1 . . 1 1 24 24 LEU H H . . . 1 1 23 23 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 23 VAL HA . . A . 24 LEU H . . . 23 . HA . . . . . 24 . HN . . rr_1hfg 7
45 1 . . 1 1 25 25 LEU HA H . . . 1 1 26 26 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 25 LEU HA . . A . 26 SER H . . . 25 . HA . . . . . 26 . HN . . rr_1hfg 7
46 1 . . 1 1 28 28 TRP H H . . . 1 1 27 27 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 27 SER HA . . A . 28 TRP H . . . 27 . HA . . . . . 28 . HN . . rr_1hfg 7
47 1 . . 1 1 28 28 TRP HA H . . . 1 1 29 29 TYR H H . . . . . 2.4 1.8 2.9 . . . . . A . 28 TRP HA . . A . 29 TYR H . . . 28 . HA . . . . . 29 . HN . . rr_1hfg 7
48 1 . . 1 1 30 30 PRO HA H . . . 1 1 31 31 THR H H . . . . . 2.4 1.8 2.9 . . . . . A . 30 PRO HA . . A . 31 THR H . . . 30 . HA . . . . . 31 . HN . . rr_1hfg 7
49 1 . . 1 1 31 31 THR HA H . . . 1 1 32 32 SER H H . . . . . 2.4 1.8 2.9 . . . . . A . 31 THR HA . . A . 32 SER H . . . 31 . HA . . . . . 32 . HN . . rr_1hfg 7
50 1 . . 1 1 33 33 GLN H H . . . 1 1 32 32 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 32 SER HA . . A . 33 GLN H . . . 32 . HA . . . . . 33 . HN . . rr_1hfg 7
51 1 . . 1 1 33 33 GLN HA H . . . 1 1 34 34 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 33 GLN HA . . A . 34 LEU H . . . 33 . HA . . . . . 34 . HN . . rr_1hfg 7
52 1 . . 1 1 35 35 CYS H H . . . 1 1 34 34 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 34 LEU HA . . A . 35 CYS H . . . 34 . HA . . . . . 35 . HN . . rr_1hfg 7
53 1 . . 1 1 36 36 SER H H . . . 1 1 35 35 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 35 CYS HA . . A . 36 SER H . . . 35 . HA . . . . . 36 . HN . . rr_1hfg 7
54 1 . . 1 1 37 37 LYS H H . . . 1 1 36 36 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 36 SER HA . . A . 37 LYS H . . . 36 . HA . . . . . 37 . HN . . rr_1hfg 7
55 1 . . 1 1 39 39 GLY H H . . . 1 1 38 38 PRO HA H . . . . . 2.4 1.8 2.9 . . . . . A . 38 PRO HA . . A . 39 GLY H . . . 38 . HA . . . . . 39 . HN . . rr_1hfg 7
56 1 OR . 1 1 40 40 VAL H H . . . 1 1 39 39 GLY HA2 H . . . . . 3.0 1.8 4.0 . . . . . A . 39 GLY HA2 . . A . 40 VAL H . . . 39 . HA# . . . . . 40 . HN . . rr_1hfg 7
56 2 OR . 1 1 39 39 GLY HA3 H . . . 1 1 40 40 VAL H H . . . . . 3.0 1.8 4.0 . . . . . A . 39 GLY HA3 . . A . 40 VAL H . . . 39 . HA# . . . . . 40 . HN . . rr_1hfg 7
57 1 . . 1 1 40 40 VAL HA H . . . 1 1 41 41 ILE H H . . . . . 3.0 1.8 3.5 . . . . . A . 40 VAL HA . . A . 41 ILE H . . . 40 . HA . . . . . 41 . HN . . rr_1hfg 7
58 1 . . 1 1 41 41 ILE HA H . . . 1 1 42 42 PHE H H . . . . . 2.4 1.8 2.9 . . . . . A . 41 ILE HA . . A . 42 PHE H . . . 41 . HA . . . . . 42 . HN . . rr_1hfg 7
59 1 . . 1 1 43 43 LEU H H . . . 1 1 42 42 PHE HA H . . . . . 2.4 1.8 2.9 . . . . . A . 42 PHE HA . . A . 43 LEU H . . . 42 . HA . . . . . 43 . HN . . rr_1hfg 7
60 1 . . 1 1 43 43 LEU HA H . . . 1 1 44 44 THR H H . . . . . 2.4 1.8 2.9 . . . . . A . 43 LEU HA . . A . 44 THR H . . . 43 . HA . . . . . 44 . HN . . rr_1hfg 7
61 1 . . 1 1 45 45 LYS H H . . . 1 1 44 44 THR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 44 THR HA . . A . 45 LYS H . . . 44 . HA . . . . . 45 . HN . . rr_1hfg 7
62 1 . . 1 1 47 47 GLY HA3 H . . . 1 1 48 48 ARG H H . . . . . 4.0 1.8 4.5 . . . . . A . 47 GLY HA3 . . A . 48 ARG H . . . 47 . HA1 . . . . . 48 . HN . . rr_1hfg 7
63 1 . . 1 1 47 47 GLY HA2 H . . . 1 1 48 48 ARG H H . . . . . 4.0 1.8 4.5 . . . . . A . 47 GLY HA2 . . A . 48 ARG H . . . 47 . HA2 . . . . . 48 . HN . . rr_1hfg 7
64 1 . . 1 1 49 49 GLN H H . . . 1 1 48 48 ARG HA H . . . . . 2.4 1.8 2.9 . . . . . A . 48 ARG HA . . A . 49 GLN H . . . 48 . HA . . . . . 49 . HN . . rr_1hfg 7
65 1 . . 1 1 50 50 VAL H H . . . 1 1 49 49 GLN HA H . . . . . 2.4 1.8 2.9 . . . . . A . 49 GLN HA . . A . 50 VAL H . . . 49 . HA . . . . . 50 . HN . . rr_1hfg 7
66 1 . . 1 1 50 50 VAL HA H . . . 1 1 51 51 CYS H H . . . . . 2.4 1.8 2.9 . . . . . A . 50 VAL HA . . A . 51 CYS H . . . 50 . HA . . . . . 51 . HN . . rr_1hfg 7
67 1 . . 1 1 52 52 ALA H H . . . 1 1 51 51 CYS HA H . . . . . 2.4 1.8 2.9 . . . . . A . 51 CYS HA . . A . 52 ALA H . . . 51 . HA . . . . . 52 . HN . . rr_1hfg 7
68 1 . . 1 1 53 53 ASP H H . . . 1 1 52 52 ALA HA H . . . . . 3.0 1.8 3.5 . . . . . A . 52 ALA HA . . A . 53 ASP H . . . 52 . HA . . . . . 53 . HN . . rr_1hfg 7
69 1 . . 1 1 54 54 LYS H H . . . 1 1 53 53 ASP HA H . . . . . 2.4 1.8 2.9 . . . . . A . 53 ASP HA . . A . 54 LYS H . . . 53 . HA . . . . . 54 . HN . . rr_1hfg 7
70 1 . . 1 1 54 54 LYS HA H . . . 1 1 55 55 SER H H . . . . . 3.0 1.8 3.5 . . . . . A . 54 LYS HA . . A . 55 SER H . . . 54 . HA . . . . . 55 . HN . . rr_1hfg 7
71 1 . . 1 1 56 56 LYS H H . . . 1 1 55 55 SER HA H . . . . . 4.0 1.8 4.5 . . . . . A . 55 SER HA . . A . 56 LYS H . . . 55 . HA . . . . . 56 . HN . . rr_1hfg 7
72 1 . . 1 1 57 57 ASP H H . . . 1 1 56 56 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 56 LYS HA . . A . 57 ASP H . . . 56 . HA . . . . . 57 . HN . . rr_1hfg 7
73 1 . . 1 1 57 57 ASP HA H . . . 1 1 58 58 TRP H H . . . . . 4.0 1.8 4.5 . . . . . A . 57 ASP HA . . A . 58 TRP H . . . 57 . HA . . . . . 58 . HN . . rr_1hfg 7
74 1 . . 1 1 58 58 TRP HA H . . . 1 1 59 59 VAL H H . . . . . 4.0 1.8 4.5 . . . . . A . 58 TRP HA . . A . 59 VAL H . . . 58 . HA . . . . . 59 . HN . . rr_1hfg 7
75 1 . . 1 1 60 60 LYS H H . . . 1 1 59 59 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 59 VAL HA . . A . 60 LYS H . . . 59 . HA . . . . . 60 . HN . . rr_1hfg 7
76 1 . . 1 1 61 61 LYS H H . . . 1 1 60 60 LYS HA H . . . . . 4.0 1.8 4.5 . . . . . A . 60 LYS HA . . A . 61 LYS H . . . 60 . HA . . . . . 61 . HN . . rr_1hfg 7
77 1 . . 1 1 63 63 MET H H . . . 1 1 62 62 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 62 LEU HA . . A . 63 MET H . . . 62 . HA . . . . . 63 . HN . . rr_1hfg 7
78 1 . . 1 1 63 63 MET HA H . . . 1 1 64 64 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 63 MET HA . . A . 64 GLN H . . . 63 . HA . . . . . 64 . HN . . rr_1hfg 7
79 1 . . 1 1 65 65 GLN H H . . . 1 1 64 64 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 64 GLN HA . . A . 65 GLN H . . . 64 . HA . . . . . 65 . HN . . rr_1hfg 7
80 1 . . 1 1 66 66 LEU H H . . . 1 1 65 65 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 65 GLN HA . . A . 66 LEU H . . . 65 . HA . . . . . 66 . HN . . rr_1hfg 7
81 1 . . 1 1 70 70 ALA H H . . . 1 1 70 70 ALA HA H . . . . . 2.4 1.8 2.9 . . . . . A . 70 ALA HA . . A . 70 ALA H . . . 70 . HA . . . . . 70 . HN . . rr_1hfg 7
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 HN(i)-HN(i+1) 1 1 1 16 rr_1hfg 7
2 HA(i)-HN(i+1) 57 1 57 16 rr_1hfg 7
3
;assign (resid 39 and name HA1 ) (resid 40 and name HN ) 3.0 1.2 0.5
assign (resid 39 and name HA2 ) (resid 40 and name HN ) 3.0 1.2 0.5
;
127 1 129 71 rr_1hfg 7
4 "assign (resid 67 and name HA ) (resid 68 and name HN ) 2.4 0.6 0.5" 181 1 181 71 rr_1hfg 7
5 HB(i)-HN(i+1) 187 1 187 16 rr_1hfg 7
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1hfg
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1hfg 8
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 43 43 LEU H H . . . 1 1 27 27 SER O O . . . . . 2.2 1.7 2.4 . . . . . A . 27 SER O . . A . 43 LEU H . . . 27 . O . . . . . 43 . HN . . rr_1hfg 8
2 1 . . 1 1 27 27 SER O O . . . 1 1 43 43 LEU N N . . . . . 3.3 2.5 3.5 . . . . . A . 27 SER O . . A . 43 LEU N . . . 27 . O . . . . . 43 . N . . rr_1hfg 8
3 1 . . 1 1 41 41 ILE H H . . . 1 1 29 29 TYR O O . . . . . 2.2 1.7 2.4 . . . . . A . 29 TYR O . . A . 41 ILE H . . . 29 . O . . . . . 41 . HN . . rr_1hfg 8
4 1 . . 1 1 29 29 TYR O O . . . 1 1 41 41 ILE N N . . . . . 3.3 2.5 3.5 . . . . . A . 29 TYR O . . A . 41 ILE N . . . 29 . O . . . . . 41 . N . . rr_1hfg 8
5 1 . . 1 1 52 52 ALA H H . . . 1 1 40 40 VAL O O . . . . . 2.2 1.7 2.4 . . . . . A . 40 VAL O . . A . 52 ALA H . . . 40 . O . . . . . 52 . HN . . rr_1hfg 8
6 1 . . 1 1 40 40 VAL O O . . . 1 1 52 52 ALA N N . . . . . 3.3 2.5 3.5 . . . . . A . 40 VAL O . . A . 52 ALA N . . . 40 . O . . . . . 52 . N . . rr_1hfg 8
7 1 . . 1 1 50 50 VAL H H . . . 1 1 42 42 PHE O O . . . . . 2.2 1.7 2.4 . . . . . A . 42 PHE O . . A . 50 VAL H . . . 42 . O . . . . . 50 . HN . . rr_1hfg 8
8 1 . . 1 1 42 42 PHE O O . . . 1 1 50 50 VAL N N . . . . . 3.3 2.5 3.5 . . . . . A . 42 PHE O . . A . 50 VAL N . . . 42 . O . . . . . 50 . N . . rr_1hfg 8
9 1 . . 1 1 29 29 TYR H H . . . 1 1 41 41 ILE O O . . . . . 2.2 1.7 2.4 . . . . . A . 41 ILE O . . A . 29 TYR H . . . 41 . O . . . . . 29 . HN . . rr_1hfg 8
10 1 . . 1 1 41 41 ILE O O . . . 1 1 29 29 TYR N N . . . . . 3.3 2.5 3.5 . . . . . A . 41 ILE O . . A . 29 TYR N . . . 41 . O . . . . . 29 . N . . rr_1hfg 8
11 1 . . 1 1 44 44 THR H H . . . 1 1 48 48 ARG O O . . . . . 2.2 1.7 2.4 . . . . . A . 48 ARG O . . A . 44 THR H . . . 48 . O . . . . . 44 . HN . . rr_1hfg 8
12 1 . . 1 1 48 48 ARG O O . . . 1 1 44 44 THR N N . . . . . 3.3 2.5 3.5 . . . . . A . 48 ARG O . . A . 44 THR N . . . 48 . O . . . . . 44 . N . . rr_1hfg 8
13 1 . . 1 1 42 42 PHE H H . . . 1 1 50 50 VAL O O . . . . . 2.2 1.7 2.4 . . . . . A . 50 VAL O . . A . 42 PHE H . . . 50 . O . . . . . 42 . HN . . rr_1hfg 8
14 1 . . 1 1 50 50 VAL O O . . . 1 1 42 42 PHE N N . . . . . 3.3 2.5 3.5 . . . . . A . 50 VAL O . . A . 42 PHE N . . . 50 . O . . . . . 42 . N . . rr_1hfg 8
15 1 . . 1 1 40 40 VAL H H . . . 1 1 52 52 ALA O O . . . . . 2.2 1.7 2.4 . . . . . A . 52 ALA O . . A . 40 VAL H . . . 52 . O . . . . . 40 . HN . . rr_1hfg 8
16 1 . . 1 1 52 52 ALA O O . . . 1 1 40 40 VAL N N . . . . . 3.3 2.5 3.5 . . . . . A . 52 ALA O . . A . 40 VAL N . . . 52 . O . . . . . 40 . N . . rr_1hfg 8
17 1 . . 1 1 62 62 LEU H H . . . 1 1 58 58 TRP O O . . . . . 2.2 1.7 2.4 . . . . . A . 58 TRP O . . A . 62 LEU H . . . 58 . O . . . . . 62 . HN . . rr_1hfg 8
18 1 . . 1 1 58 58 TRP O O . . . 1 1 62 62 LEU N N . . . . . 3.3 2.5 3.5 . . . . . A . 58 TRP O . . A . 62 LEU N . . . 58 . O . . . . . 62 . N . . rr_1hfg 8
19 1 . . 1 1 64 64 GLN H H . . . 1 1 60 60 LYS O O . . . . . 2.2 1.7 2.4 . . . . . A . 60 LYS O . . A . 64 GLN H . . . 60 . O . . . . . 64 . HN . . rr_1hfg 8
20 1 . . 1 1 60 60 LYS O O . . . 1 1 64 64 GLN N N . . . . . 3.3 2.5 3.5 . . . . . A . 60 LYS O . . A . 64 GLN N . . . 60 . O . . . . . 64 . N . . rr_1hfg 8
21 1 . . 1 1 65 65 GLN H H . . . 1 1 61 61 LYS O O . . . . . 2.2 1.7 2.4 . . . . . A . 61 LYS O . . A . 65 GLN H . . . 61 . O . . . . . 65 . HN . . rr_1hfg 8
22 1 . . 1 1 61 61 LYS O O . . . 1 1 65 65 GLN N N . . . . . 3.3 2.5 3.5 . . . . . A . 61 LYS O . . A . 65 GLN N . . . 61 . O . . . . . 65 . N . . rr_1hfg 8
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 H-BONDS 1 1 1 10 rr_1hfg 8
stop_
save_
save_CNS/XPLOR_distance_constraints_7_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_7_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_1hfg 1
1 2 . 3 . rr_1hfg 1
1 3 . . . rr_1hfg 1
2 1 . . . rr_1hfg 1
3 1 . . . rr_1hfg 1
4 1 . . . rr_1hfg 1
5 1 . . . rr_1hfg 1
6 1 . . . rr_1hfg 1
7 1 2 . OR rr_1hfg 1
7 2 . 3 . rr_1hfg 1
7 3 . . . rr_1hfg 1
8 1 2 . OR rr_1hfg 1
8 2 . 3 . rr_1hfg 1
8 3 . . . rr_1hfg 1
9 1 2 . OR rr_1hfg 1
9 2 . 3 . rr_1hfg 1
9 3 . 4 . rr_1hfg 1
9 4 . 5 . rr_1hfg 1
9 5 . . . rr_1hfg 1
10 1 2 . OR rr_1hfg 1
10 2 . 3 . rr_1hfg 1
10 3 . . . rr_1hfg 1
11 1 2 . OR rr_1hfg 1
11 2 . 3 . rr_1hfg 1
11 3 . . . rr_1hfg 1
12 1 2 . OR rr_1hfg 1
12 2 . 3 . rr_1hfg 1
12 3 . 4 . rr_1hfg 1
12 4 . 5 . rr_1hfg 1
12 5 . . . rr_1hfg 1
13 1 2 . OR rr_1hfg 1
13 2 . 3 . rr_1hfg 1
13 3 . 4 . rr_1hfg 1
13 4 . 5 . rr_1hfg 1
13 5 . . . rr_1hfg 1
14 1 2 . OR rr_1hfg 1
14 2 . 3 . rr_1hfg 1
14 3 . . . rr_1hfg 1
15 1 2 . OR rr_1hfg 1
15 2 . 3 . rr_1hfg 1
15 3 . . . rr_1hfg 1
16 1 . . . rr_1hfg 1
17 1 . . . rr_1hfg 1
18 1 . . . rr_1hfg 1
19 1 . . . rr_1hfg 1
20 1 . . . rr_1hfg 1
21 1 . . . rr_1hfg 1
22 1 2 . OR rr_1hfg 1
22 2 . 3 . rr_1hfg 1
22 3 . . . rr_1hfg 1
23 1 . . . rr_1hfg 1
24 1 . . . rr_1hfg 1
25 1 . . . rr_1hfg 1
26 1 . . . rr_1hfg 1
27 1 2 . OR rr_1hfg 1
27 2 . 3 . rr_1hfg 1
27 3 . . . rr_1hfg 1
28 1 2 . OR rr_1hfg 1
28 2 . 3 . rr_1hfg 1
28 3 . . . rr_1hfg 1
29 1 2 . OR rr_1hfg 1
29 2 . 3 . rr_1hfg 1
29 3 . . . rr_1hfg 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 1 1 39 39 GLY HA2 H . . . . 39 . HA# rr_1hfg 1
1 2 . 2 . 1 1 15 15 TYR QE H . . . . 15 . HE# rr_1hfg 1
1 3 . 1 . 1 1 39 39 GLY HA3 H . . . . 39 . HA# rr_1hfg 1
1 3 . 2 . 1 1 15 15 TYR QE H . . . . 15 . HE# rr_1hfg 1
2 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 1
2 1 . 2 . 1 1 15 15 TYR QE H . . . . 15 . HE# rr_1hfg 1
3 1 . 1 . 1 1 52 52 ALA HA H . . . . 52 . HA rr_1hfg 1
3 1 . 2 . 1 1 15 15 TYR QE H . . . . 15 . HE# rr_1hfg 1
4 1 . 1 . 1 1 51 51 CYS HB3 H . . . . 51 . HB1 rr_1hfg 1
4 1 . 2 . 1 1 15 15 TYR QD H . . . . 15 . HD# rr_1hfg 1
5 1 . 1 . 1 1 53 53 ASP HA H . . . . 53 . HA rr_1hfg 1
5 1 . 2 . 1 1 15 15 TYR QD H . . . . 15 . HD# rr_1hfg 1
6 1 . 1 . 1 1 53 53 ASP HA H . . . . 53 . HA rr_1hfg 1
6 1 . 2 . 1 1 15 15 TYR QE H . . . . 15 . HE# rr_1hfg 1
7 2 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 1
7 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 1
7 3 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 1
7 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 1
8 2 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 1
8 2 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 1
8 3 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 1
8 3 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 1
9 2 . 1 . 1 1 10 10 LYS HD2 H . . . . 10 . HD# rr_1hfg 1
9 2 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 1
9 3 . 1 . 1 1 10 10 LYS HD2 H . . . . 10 . HD# rr_1hfg 1
9 3 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 1
9 4 . 1 . 1 1 10 10 LYS HD3 H . . . . 10 . HD# rr_1hfg 1
9 4 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 1
9 5 . 1 . 1 1 10 10 LYS HD3 H . . . . 10 . HD# rr_1hfg 1
9 5 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 1
10 2 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 1
10 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 1
10 3 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 1
10 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 1
11 2 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 1
11 2 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 1
11 3 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 1
11 3 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 1
12 2 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD# rr_1hfg 1
12 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 1
12 3 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD# rr_1hfg 1
12 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 1
12 4 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD# rr_1hfg 1
12 4 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 1
12 5 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD# rr_1hfg 1
12 5 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 1
13 2 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD# rr_1hfg 1
13 2 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 1
13 3 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD# rr_1hfg 1
13 3 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 1
13 4 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD# rr_1hfg 1
13 4 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 1
13 5 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD# rr_1hfg 1
13 5 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 1
14 2 . 1 . 1 1 69 69 THR MG H . . . . 69 . HG2# rr_1hfg 1
14 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 1
14 3 . 1 . 1 1 69 69 THR MG H . . . . 69 . HG2# rr_1hfg 1
14 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 1
15 2 . 1 . 1 1 69 69 THR MG H . . . . 69 . HG2# rr_1hfg 1
15 2 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 1
15 3 . 1 . 1 1 69 69 THR MG H . . . . 69 . HG2# rr_1hfg 1
15 3 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 1
16 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1hfg 1
16 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
17 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 1
17 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
18 1 . 1 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 1
18 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
19 1 . 1 . 1 1 50 50 VAL HB H . . . . 50 . HB rr_1hfg 1
19 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
20 1 . 1 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 1
20 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
21 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 1
21 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
22 2 . 1 . 1 1 28 28 TRP HB3 H . . . . 28 . HB# rr_1hfg 1
22 2 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
22 3 . 1 . 1 1 28 28 TRP HB2 H . . . . 28 . HB# rr_1hfg 1
22 3 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
23 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 1
23 1 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
24 1 . 1 . 1 1 59 59 VAL MG1 H . . . . 59 . HG1# rr_1hfg 1
24 1 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
25 1 . 1 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 1
25 1 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
26 1 . 1 . 1 1 62 62 LEU HB2 H . . . . 62 . HB2 rr_1hfg 1
26 1 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
27 2 . 1 . 1 1 63 63 MET HG3 H . . . . 63 . HG# rr_1hfg 1
27 2 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
27 3 . 1 . 1 1 63 63 MET HG2 H . . . . 63 . HG# rr_1hfg 1
27 3 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
28 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 1
28 2 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
28 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 1
28 3 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 1
29 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 1
29 2 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
29 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 1
29 3 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 3.0 1.8 5.0 rr_1hfg 1
1 3 . . . . . . 3.0 1.8 5.0 rr_1hfg 1
2 1 . . . . . . 4.0 1.8 6.5 rr_1hfg 1
3 1 . . . . . . 4.0 1.8 5.5 rr_1hfg 1
4 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 1
5 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 1
6 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 1
7 2 . . . . . . 4.0 1.8 5.0 rr_1hfg 1
7 3 . . . . . . 4.0 1.8 5.0 rr_1hfg 1
8 2 . . . . . . 4.0 1.8 5.0 rr_1hfg 1
8 3 . . . . . . 4.0 1.8 5.0 rr_1hfg 1
9 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 1
9 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 1
9 4 . . . . . . 4.0 1.8 5.5 rr_1hfg 1
9 5 . . . . . . 4.0 1.8 5.5 rr_1hfg 1
10 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
10 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
11 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
11 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
12 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
12 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
12 4 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
12 5 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
13 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
13 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
13 4 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
13 5 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
14 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
14 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
15 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 1
15 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 1
16 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
17 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
18 1 . . . . . . 3.0 1.8 5.0 rr_1hfg 1
19 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 1
20 1 . . . . . . 4.0 1.8 5.5 rr_1hfg 1
21 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
22 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
22 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 1
23 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
24 1 . . . . . . 2.4 1.6 3.9 rr_1hfg 1
25 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
26 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 1
27 2 . . . . . . 5.0 1.8 7.5 rr_1hfg 1
27 3 . . . . . . 5.0 1.8 7.5 rr_1hfg 1
28 2 . . . . . . 3.0 1.8 6.5 rr_1hfg 1
28 3 . . . . . . 3.0 1.8 6.5 rr_1hfg 1
29 2 . . . . . . 3.0 1.8 6.5 rr_1hfg 1
29 3 . . . . . . 3.0 1.8 6.5 rr_1hfg 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Tyr 15" 1 1 1 8 rr_1hfg 1
2 "Tyr 29" 21 1 21 8 rr_1hfg 1
3 "Phe 42" 45 1 45 8 rr_1hfg 1
stop_
save_
save_CNS/XPLOR_distance_constraints_17_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_17_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 8
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 17
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1hfg 2
2 1 . . . rr_1hfg 2
3 1 . . . rr_1hfg 2
4 1 . . . rr_1hfg 2
5 1 . . . rr_1hfg 2
6 1 . . . rr_1hfg 2
7 1 . . . rr_1hfg 2
8 1 . . . rr_1hfg 2
9 1 2 . OR rr_1hfg 2
9 2 . 3 . rr_1hfg 2
9 3 . . . rr_1hfg 2
10 1 . . . rr_1hfg 2
11 1 . . . rr_1hfg 2
12 1 . . . rr_1hfg 2
13 1 . . . rr_1hfg 2
14 1 . . . rr_1hfg 2
15 1 . . . rr_1hfg 2
16 1 . . . rr_1hfg 2
17 1 . . . rr_1hfg 2
18 1 . . . rr_1hfg 2
19 1 . . . rr_1hfg 2
20 1 . . . rr_1hfg 2
21 1 . . . rr_1hfg 2
22 1 . . . rr_1hfg 2
23 1 . . . rr_1hfg 2
24 1 . . . rr_1hfg 2
25 1 . . . rr_1hfg 2
26 1 . . . rr_1hfg 2
27 1 2 . OR rr_1hfg 2
27 2 . 3 . rr_1hfg 2
27 3 . . . rr_1hfg 2
28 1 . . . rr_1hfg 2
29 1 . . . rr_1hfg 2
30 1 . . . rr_1hfg 2
31 1 . . . rr_1hfg 2
32 1 . . . rr_1hfg 2
33 1 . . . rr_1hfg 2
34 1 . . . rr_1hfg 2
35 1 . . . rr_1hfg 2
36 1 . . . rr_1hfg 2
37 1 . . . rr_1hfg 2
38 1 . . . rr_1hfg 2
39 1 . . . rr_1hfg 2
40 1 . . . rr_1hfg 2
41 1 . . . rr_1hfg 2
42 1 . . . rr_1hfg 2
43 1 . . . rr_1hfg 2
44 1 . . . rr_1hfg 2
45 1 . . . rr_1hfg 2
46 1 . . . rr_1hfg 2
47 1 . . . rr_1hfg 2
48 1 . . . rr_1hfg 2
49 1 . . . rr_1hfg 2
50 1 . . . rr_1hfg 2
51 1 . . . rr_1hfg 2
52 1 . . . rr_1hfg 2
53 1 . . . rr_1hfg 2
54 1 . . . rr_1hfg 2
55 1 . . . rr_1hfg 2
56 1 . . . rr_1hfg 2
57 1 . . . rr_1hfg 2
58 1 2 . OR rr_1hfg 2
58 2 . 3 . rr_1hfg 2
58 3 . . . rr_1hfg 2
59 1 2 . OR rr_1hfg 2
59 2 . 3 . rr_1hfg 2
59 3 . . . rr_1hfg 2
60 1 2 . OR rr_1hfg 2
60 2 . 3 . rr_1hfg 2
60 3 . . . rr_1hfg 2
61 1 . . . rr_1hfg 2
62 1 . . . rr_1hfg 2
63 1 2 . OR rr_1hfg 2
63 2 . 3 . rr_1hfg 2
63 3 . . . rr_1hfg 2
64 1 . . . rr_1hfg 2
65 1 . . . rr_1hfg 2
66 1 2 . OR rr_1hfg 2
66 2 . 3 . rr_1hfg 2
66 3 . . . rr_1hfg 2
67 1 . . . rr_1hfg 2
68 1 . . . rr_1hfg 2
69 1 . . . rr_1hfg 2
70 1 . . . rr_1hfg 2
71 1 2 . OR rr_1hfg 2
71 2 . 3 . rr_1hfg 2
71 3 . . . rr_1hfg 2
72 1 . . . rr_1hfg 2
73 1 . . . rr_1hfg 2
74 1 . . . rr_1hfg 2
75 1 . . . rr_1hfg 2
76 1 . . . rr_1hfg 2
77 1 . . . rr_1hfg 2
78 1 . . . rr_1hfg 2
79 1 . . . rr_1hfg 2
80 1 . . . rr_1hfg 2
81 1 . . . rr_1hfg 2
82 1 2 . OR rr_1hfg 2
82 2 . 3 . rr_1hfg 2
82 3 . . . rr_1hfg 2
83 1 . . . rr_1hfg 2
84 1 . . . rr_1hfg 2
85 1 . . . rr_1hfg 2
86 1 . . . rr_1hfg 2
87 1 2 . OR rr_1hfg 2
87 2 . 3 . rr_1hfg 2
87 3 . . . rr_1hfg 2
88 1 . . . rr_1hfg 2
89 1 . . . rr_1hfg 2
90 1 2 . OR rr_1hfg 2
90 2 . 3 . rr_1hfg 2
90 3 . . . rr_1hfg 2
91 1 2 . OR rr_1hfg 2
91 2 . 3 . rr_1hfg 2
91 3 . . . rr_1hfg 2
92 1 . . . rr_1hfg 2
93 1 . . . rr_1hfg 2
94 1 . . . rr_1hfg 2
95 1 . . . rr_1hfg 2
96 1 2 . OR rr_1hfg 2
96 2 . 3 . rr_1hfg 2
96 3 . . . rr_1hfg 2
97 1 . . . rr_1hfg 2
98 1 . . . rr_1hfg 2
99 1 . . . rr_1hfg 2
100 1 . . . rr_1hfg 2
101 1 . . . rr_1hfg 2
102 1 . . . rr_1hfg 2
103 1 . . . rr_1hfg 2
104 1 . . . rr_1hfg 2
105 1 . . . rr_1hfg 2
106 1 . . . rr_1hfg 2
107 1 . . . rr_1hfg 2
108 1 . . . rr_1hfg 2
109 1 . . . rr_1hfg 2
110 1 2 . OR rr_1hfg 2
110 2 . 3 . rr_1hfg 2
110 3 . . . rr_1hfg 2
111 1 . . . rr_1hfg 2
112 1 . . . rr_1hfg 2
113 1 2 . OR rr_1hfg 2
113 2 . 3 . rr_1hfg 2
113 3 . . . rr_1hfg 2
114 1 . . . rr_1hfg 2
115 1 . . . rr_1hfg 2
116 1 . . . rr_1hfg 2
117 1 2 . OR rr_1hfg 2
117 2 . 3 . rr_1hfg 2
117 3 . . . rr_1hfg 2
118 1 . . . rr_1hfg 2
119 1 . . . rr_1hfg 2
120 1 2 . OR rr_1hfg 2
120 2 . 3 . rr_1hfg 2
120 3 . . . rr_1hfg 2
121 1 2 . OR rr_1hfg 2
121 2 . 3 . rr_1hfg 2
121 3 . . . rr_1hfg 2
122 1 . . . rr_1hfg 2
123 1 . . . rr_1hfg 2
124 1 . . . rr_1hfg 2
125 1 . . . rr_1hfg 2
126 1 . . . rr_1hfg 2
127 1 . . . rr_1hfg 2
128 1 2 . OR rr_1hfg 2
128 2 . 3 . rr_1hfg 2
128 3 . . . rr_1hfg 2
129 1 2 . OR rr_1hfg 2
129 2 . 3 . rr_1hfg 2
129 3 . . . rr_1hfg 2
130 1 2 . OR rr_1hfg 2
130 2 . 3 . rr_1hfg 2
130 3 . . . rr_1hfg 2
131 1 . . . rr_1hfg 2
132 1 . . . rr_1hfg 2
133 1 . . . rr_1hfg 2
134 1 2 . OR rr_1hfg 2
134 2 . 3 . rr_1hfg 2
134 3 . . . rr_1hfg 2
135 1 . . . rr_1hfg 2
136 1 . . . rr_1hfg 2
137 1 2 . OR rr_1hfg 2
137 2 . 3 . rr_1hfg 2
137 3 . . . rr_1hfg 2
138 1 2 . OR rr_1hfg 2
138 2 . 3 . rr_1hfg 2
138 3 . . . rr_1hfg 2
139 1 . . . rr_1hfg 2
140 1 . . . rr_1hfg 2
141 1 . . . rr_1hfg 2
142 1 . . . rr_1hfg 2
143 1 . . . rr_1hfg 2
144 1 . . . rr_1hfg 2
145 1 . . . rr_1hfg 2
146 1 2 . OR rr_1hfg 2
146 2 . 3 . rr_1hfg 2
146 3 . . . rr_1hfg 2
147 1 2 . OR rr_1hfg 2
147 2 . 3 . rr_1hfg 2
147 3 . . . rr_1hfg 2
148 1 2 . OR rr_1hfg 2
148 2 . 3 . rr_1hfg 2
148 3 . . . rr_1hfg 2
149 1 2 . OR rr_1hfg 2
149 2 . 3 . rr_1hfg 2
149 3 . . . rr_1hfg 2
150 1 . . . rr_1hfg 2
151 1 . . . rr_1hfg 2
152 1 . . . rr_1hfg 2
153 1 . . . rr_1hfg 2
154 1 . . . rr_1hfg 2
155 1 . . . rr_1hfg 2
156 1 2 . OR rr_1hfg 2
156 2 . 3 . rr_1hfg 2
156 3 . . . rr_1hfg 2
157 1 . . . rr_1hfg 2
158 1 2 . OR rr_1hfg 2
158 2 . 3 . rr_1hfg 2
158 3 . . . rr_1hfg 2
159 1 . . . rr_1hfg 2
160 1 . . . rr_1hfg 2
161 1 . . . rr_1hfg 2
162 1 . . . rr_1hfg 2
163 1 . . . rr_1hfg 2
164 1 . . . rr_1hfg 2
165 1 . . . rr_1hfg 2
166 1 . . . rr_1hfg 2
167 1 . . . rr_1hfg 2
168 1 . . . rr_1hfg 2
169 1 . . . rr_1hfg 2
170 1 . . . rr_1hfg 2
171 1 2 . OR rr_1hfg 2
171 2 . 3 . rr_1hfg 2
171 3 . . . rr_1hfg 2
172 1 . . . rr_1hfg 2
173 1 2 . OR rr_1hfg 2
173 2 . 3 . rr_1hfg 2
173 3 . . . rr_1hfg 2
174 1 2 . OR rr_1hfg 2
174 2 . 3 . rr_1hfg 2
174 3 . . . rr_1hfg 2
175 1 2 . OR rr_1hfg 2
175 2 . 3 . rr_1hfg 2
175 3 . . . rr_1hfg 2
176 1 2 . OR rr_1hfg 2
176 2 . 3 . rr_1hfg 2
176 3 . . . rr_1hfg 2
177 1 . . . rr_1hfg 2
178 1 . . . rr_1hfg 2
179 1 . . . rr_1hfg 2
180 1 . . . rr_1hfg 2
181 1 . . . rr_1hfg 2
182 1 . . . rr_1hfg 2
183 1 . . . rr_1hfg 2
184 1 . . . rr_1hfg 2
185 1 . . . rr_1hfg 2
186 1 2 . OR rr_1hfg 2
186 2 . 3 . rr_1hfg 2
186 3 . . . rr_1hfg 2
187 1 2 . OR rr_1hfg 2
187 2 . 3 . rr_1hfg 2
187 3 . . . rr_1hfg 2
188 1 2 . OR rr_1hfg 2
188 2 . 3 . rr_1hfg 2
188 3 . . . rr_1hfg 2
189 1 . . . rr_1hfg 2
190 1 . . . rr_1hfg 2
191 1 . . . rr_1hfg 2
192 1 . . . rr_1hfg 2
193 1 . . . rr_1hfg 2
194 1 2 . OR rr_1hfg 2
194 2 . 3 . rr_1hfg 2
194 3 . . . rr_1hfg 2
195 1 . . . rr_1hfg 2
196 1 . . . rr_1hfg 2
197 1 . . . rr_1hfg 2
198 1 . . . rr_1hfg 2
199 1 . . . rr_1hfg 2
200 1 . . . rr_1hfg 2
201 1 . . . rr_1hfg 2
202 1 . . . rr_1hfg 2
203 1 . . . rr_1hfg 2
204 1 . . . rr_1hfg 2
205 1 . . . rr_1hfg 2
206 1 . . . rr_1hfg 2
207 1 . . . rr_1hfg 2
208 1 2 . OR rr_1hfg 2
208 2 . 3 . rr_1hfg 2
208 3 . . . rr_1hfg 2
209 1 . . . rr_1hfg 2
210 1 2 . OR rr_1hfg 2
210 2 . 3 . rr_1hfg 2
210 3 . . . rr_1hfg 2
211 1 2 . OR rr_1hfg 2
211 2 . 3 . rr_1hfg 2
211 3 . . . rr_1hfg 2
212 1 . . . rr_1hfg 2
213 1 . . . rr_1hfg 2
214 1 2 . OR rr_1hfg 2
214 2 . 3 . rr_1hfg 2
214 3 . . . rr_1hfg 2
215 1 2 . OR rr_1hfg 2
215 2 . 3 . rr_1hfg 2
215 3 . . . rr_1hfg 2
216 1 2 . OR rr_1hfg 2
216 2 . 3 . rr_1hfg 2
216 3 . . . rr_1hfg 2
217 1 . . . rr_1hfg 2
218 1 . . . rr_1hfg 2
219 1 2 . OR rr_1hfg 2
219 2 . 3 . rr_1hfg 2
219 3 . . . rr_1hfg 2
220 1 . . . rr_1hfg 2
221 1 . . . rr_1hfg 2
222 1 . . . rr_1hfg 2
223 1 . . . rr_1hfg 2
224 1 2 . OR rr_1hfg 2
224 2 . 3 . rr_1hfg 2
224 3 . . . rr_1hfg 2
225 1 . . . rr_1hfg 2
226 1 . . . rr_1hfg 2
227 1 2 . OR rr_1hfg 2
227 2 . 3 . rr_1hfg 2
227 3 . . . rr_1hfg 2
228 1 2 . OR rr_1hfg 2
228 2 . 3 . rr_1hfg 2
228 3 . . . rr_1hfg 2
229 1 . . . rr_1hfg 2
230 1 . . . rr_1hfg 2
231 1 2 . OR rr_1hfg 2
231 2 . 3 . rr_1hfg 2
231 3 . . . rr_1hfg 2
232 1 2 . OR rr_1hfg 2
232 2 . 3 . rr_1hfg 2
232 3 . . . rr_1hfg 2
233 1 . . . rr_1hfg 2
234 1 . . . rr_1hfg 2
235 1 . . . rr_1hfg 2
236 1 . . . rr_1hfg 2
237 1 2 . OR rr_1hfg 2
237 2 . 3 . rr_1hfg 2
237 3 . . . rr_1hfg 2
238 1 . . . rr_1hfg 2
239 1 . . . rr_1hfg 2
240 1 . . . rr_1hfg 2
241 1 . . . rr_1hfg 2
242 1 . . . rr_1hfg 2
243 1 . . . rr_1hfg 2
244 1 . . . rr_1hfg 2
245 1 2 . OR rr_1hfg 2
245 2 . 3 . rr_1hfg 2
245 3 . . . rr_1hfg 2
246 1 . . . rr_1hfg 2
247 1 . . . rr_1hfg 2
248 1 . . . rr_1hfg 2
249 1 . . . rr_1hfg 2
250 1 . . . rr_1hfg 2
251 1 . . . rr_1hfg 2
252 1 . . . rr_1hfg 2
253 1 . . . rr_1hfg 2
254 1 . . . rr_1hfg 2
255 1 . . . rr_1hfg 2
256 1 . . . rr_1hfg 2
257 1 . . . rr_1hfg 2
258 1 . . . rr_1hfg 2
259 1 . . . rr_1hfg 2
260 1 . . . rr_1hfg 2
261 1 . . . rr_1hfg 2
262 1 . . . rr_1hfg 2
263 1 . . . rr_1hfg 2
264 1 . . . rr_1hfg 2
265 1 . . . rr_1hfg 2
266 1 . . . rr_1hfg 2
267 1 . . . rr_1hfg 2
268 1 . . . rr_1hfg 2
269 1 . . . rr_1hfg 2
270 1 . . . rr_1hfg 2
271 1 . . . rr_1hfg 2
272 1 . . . rr_1hfg 2
273 1 2 . OR rr_1hfg 2
273 2 . 3 . rr_1hfg 2
273 3 . . . rr_1hfg 2
274 1 2 . OR rr_1hfg 2
274 2 . 3 . rr_1hfg 2
274 3 . . . rr_1hfg 2
275 1 2 . OR rr_1hfg 2
275 2 . 3 . rr_1hfg 2
275 3 . . . rr_1hfg 2
276 1 . . . rr_1hfg 2
277 1 . . . rr_1hfg 2
278 1 . . . rr_1hfg 2
279 1 . . . rr_1hfg 2
280 1 . . . rr_1hfg 2
281 1 . . . rr_1hfg 2
282 1 . . . rr_1hfg 2
283 1 . . . rr_1hfg 2
284 1 . . . rr_1hfg 2
285 1 . . . rr_1hfg 2
286 1 2 . OR rr_1hfg 2
286 2 . 3 . rr_1hfg 2
286 3 . . . rr_1hfg 2
287 1 2 . OR rr_1hfg 2
287 2 . 3 . rr_1hfg 2
287 3 . . . rr_1hfg 2
288 1 . . . rr_1hfg 2
289 1 . . . rr_1hfg 2
290 1 . . . rr_1hfg 2
291 1 . . . rr_1hfg 2
292 1 2 . OR rr_1hfg 2
292 2 . 3 . rr_1hfg 2
292 3 . . . rr_1hfg 2
293 1 2 . OR rr_1hfg 2
293 2 . 3 . rr_1hfg 2
293 3 . . . rr_1hfg 2
294 1 . . . rr_1hfg 2
295 1 . . . rr_1hfg 2
296 1 2 . OR rr_1hfg 2
296 2 . 3 . rr_1hfg 2
296 3 . . . rr_1hfg 2
297 1 . . . rr_1hfg 2
298 1 . . . rr_1hfg 2
299 1 . . . rr_1hfg 2
300 1 . . . rr_1hfg 2
301 1 2 . OR rr_1hfg 2
301 2 . 3 . rr_1hfg 2
301 3 . . . rr_1hfg 2
302 1 . . . rr_1hfg 2
303 1 . . . rr_1hfg 2
304 1 . . . rr_1hfg 2
305 1 2 . OR rr_1hfg 2
305 2 . 3 . rr_1hfg 2
305 3 . . . rr_1hfg 2
306 1 . . . rr_1hfg 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1hfg 2
1 1 . 2 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1hfg 2
2 1 . 1 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_1hfg 2
2 1 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_1hfg 2
3 1 . 1 . 1 1 6 6 HIS HA H . . . . 6 . HA rr_1hfg 2
3 1 . 2 . 1 1 6 6 HIS H H . . . . 6 . HN rr_1hfg 2
4 1 . 1 . 1 1 7 7 ARG HA H . . . . 7 . HA rr_1hfg 2
4 1 . 2 . 1 1 7 7 ARG H H . . . . 7 . HN rr_1hfg 2
5 1 . 1 . 1 1 9 9 ASP HA H . . . . 9 . HA rr_1hfg 2
5 1 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_1hfg 2
6 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 2
6 1 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1hfg 2
7 1 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1hfg 2
7 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1hfg 2
8 1 . 1 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 2
8 1 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1hfg 2
9 2 . 1 . 1 1 14 14 GLY HA3 H . . . . 14 . HA# rr_1hfg 2
9 2 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 2
9 3 . 1 . 1 1 14 14 GLY HA2 H . . . . 14 . HA# rr_1hfg 2
9 3 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 2
10 1 . 1 . 1 1 15 15 TYR HA H . . . . 15 . HA rr_1hfg 2
10 1 . 2 . 1 1 15 15 TYR H H . . . . 15 . HN rr_1hfg 2
11 1 . 1 . 1 1 16 16 GLN HA H . . . . 16 . HA rr_1hfg 2
11 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 2
12 1 . 1 . 1 1 17 17 LYS HA H . . . . 17 . HA rr_1hfg 2
12 1 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1hfg 2
13 1 . 1 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1hfg 2
13 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 2
14 1 . 1 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1hfg 2
14 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 2
15 1 . 1 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 2
15 1 . 2 . 1 1 22 22 GLN H H . . . . 22 . HN rr_1hfg 2
16 1 . 1 . 1 1 23 23 VAL HA H . . . . 23 . HA rr_1hfg 2
16 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 2
17 1 . 1 . 1 1 24 24 LEU HA H . . . . 24 . HA rr_1hfg 2
17 1 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 2
18 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 2
18 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 2
19 1 . 1 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 2
19 1 . 2 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 2
20 1 . 1 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 2
20 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 2
21 1 . 1 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 2
21 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 2
22 1 . 1 . 1 1 31 31 THR HA H . . . . 31 . HA rr_1hfg 2
22 1 . 2 . 1 1 31 31 THR H H . . . . 31 . HN rr_1hfg 2
23 1 . 1 . 1 1 32 32 SER HA H . . . . 32 . HA rr_1hfg 2
23 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1hfg 2
24 1 . 1 . 1 1 33 33 GLN HA H . . . . 33 . HA rr_1hfg 2
24 1 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 2
25 1 . 1 . 1 1 35 35 CYS HA H . . . . 35 . HA rr_1hfg 2
25 1 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 2
26 1 . 1 . 1 1 36 36 SER HA H . . . . 36 . HA rr_1hfg 2
26 1 . 2 . 1 1 36 36 SER H H . . . . 36 . HN rr_1hfg 2
27 2 . 1 . 1 1 39 39 GLY HA2 H . . . . 39 . HA# rr_1hfg 2
27 2 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1hfg 2
27 3 . 1 . 1 1 39 39 GLY HA3 H . . . . 39 . HA# rr_1hfg 2
27 3 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1hfg 2
28 1 . 1 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 2
28 1 . 2 . 1 1 41 41 ILE H H . . . . 41 . HN rr_1hfg 2
29 1 . 1 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 2
29 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 2
30 1 . 1 . 1 1 43 43 LEU HA H . . . . 43 . HA rr_1hfg 2
30 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 2
31 1 . 1 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 2
31 1 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 2
32 1 . 1 . 1 1 45 45 LYS HA H . . . . 45 . HA rr_1hfg 2
32 1 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 2
33 1 . 1 . 1 1 46 46 ARG HA H . . . . 46 . HA rr_1hfg 2
33 1 . 2 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 2
34 1 . 1 . 1 1 47 47 GLY HA3 H . . . . 47 . HA1 rr_1hfg 2
34 1 . 2 . 1 1 47 47 GLY H H . . . . 47 . HN rr_1hfg 2
35 1 . 1 . 1 1 47 47 GLY HA2 H . . . . 47 . HA2 rr_1hfg 2
35 1 . 2 . 1 1 47 47 GLY H H . . . . 47 . HN rr_1hfg 2
36 1 . 1 . 1 1 48 48 ARG HA H . . . . 48 . HA rr_1hfg 2
36 1 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 2
37 1 . 1 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 2
37 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 2
38 1 . 1 . 1 1 50 50 VAL HA H . . . . 50 . HA rr_1hfg 2
38 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 2
39 1 . 1 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 2
39 1 . 2 . 1 1 51 51 CYS H H . . . . 51 . HN rr_1hfg 2
40 1 . 1 . 1 1 52 52 ALA HA H . . . . 52 . HA rr_1hfg 2
40 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 2
41 1 . 1 . 1 1 53 53 ASP HA H . . . . 53 . HA rr_1hfg 2
41 1 . 2 . 1 1 53 53 ASP H H . . . . 53 . HN rr_1hfg 2
42 1 . 1 . 1 1 54 54 LYS HA H . . . . 54 . HA rr_1hfg 2
42 1 . 2 . 1 1 54 54 LYS H H . . . . 54 . HN rr_1hfg 2
43 1 . 1 . 1 1 55 55 SER HA H . . . . 55 . HA rr_1hfg 2
43 1 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 2
44 1 . 1 . 1 1 56 56 LYS HA H . . . . 56 . HA rr_1hfg 2
44 1 . 2 . 1 1 56 56 LYS H H . . . . 56 . HN rr_1hfg 2
45 1 . 1 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 2
45 1 . 2 . 1 1 57 57 ASP H H . . . . 57 . HN rr_1hfg 2
46 1 . 1 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 2
46 1 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 2
47 1 . 1 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 2
47 1 . 2 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 2
48 1 . 1 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 2
48 1 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 2
49 1 . 1 . 1 1 61 61 LYS HA H . . . . 61 . HA rr_1hfg 2
49 1 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 2
50 1 . 1 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 2
50 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 2
51 1 . 1 . 1 1 64 64 GLN HA H . . . . 64 . HA rr_1hfg 2
51 1 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 2
52 1 . 1 . 1 1 65 65 GLN HA H . . . . 65 . HA rr_1hfg 2
52 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 2
53 1 . 1 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 2
53 1 . 2 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 2
54 1 . 1 . 1 1 68 68 VAL HA H . . . . 68 . HA rr_1hfg 2
54 1 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 2
55 1 . 1 . 1 1 69 69 THR HA H . . . . 69 . HA rr_1hfg 2
55 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 2
56 1 . 1 . 1 1 71 71 ARG HA H . . . . 71 . HA rr_1hfg 2
56 1 . 2 . 1 1 71 71 ARG H H . . . . 71 . HN rr_1hfg 2
57 1 . 1 . 1 1 3 3 ALA MB H . . . . 3 . HB# rr_1hfg 2
57 1 . 2 . 1 1 3 3 ALA H H . . . . 3 . HN rr_1hfg 2
58 2 . 1 . 1 1 4 4 SER HB2 H . . . . 4 . HB# rr_1hfg 2
58 2 . 2 . 1 1 4 4 SER H H . . . . 4 . HN rr_1hfg 2
58 3 . 1 . 1 1 4 4 SER HB3 H . . . . 4 . HB# rr_1hfg 2
58 3 . 2 . 1 1 4 4 SER H H . . . . 4 . HN rr_1hfg 2
59 2 . 1 . 1 1 5 5 TRP HB2 H . . . . 5 . HB# rr_1hfg 2
59 2 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_1hfg 2
59 3 . 1 . 1 1 5 5 TRP HB3 H . . . . 5 . HB# rr_1hfg 2
59 3 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_1hfg 2
60 2 . 1 . 1 1 9 9 ASP HB2 H . . . . 9 . HB# rr_1hfg 2
60 2 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_1hfg 2
60 3 . 1 . 1 1 9 9 ASP HB3 H . . . . 9 . HB# rr_1hfg 2
60 3 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_1hfg 2
61 1 . 1 . 1 1 6 6 HIS HB3 H . . . . 6 . HB1 rr_1hfg 2
61 1 . 2 . 1 1 6 6 HIS H H . . . . 6 . HN rr_1hfg 2
62 1 . 1 . 1 1 6 6 HIS HB2 H . . . . 6 . HB2 rr_1hfg 2
62 1 . 2 . 1 1 6 6 HIS H H . . . . 6 . HN rr_1hfg 2
63 2 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 . HB# rr_1hfg 2
63 2 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1hfg 2
63 3 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 . HB# rr_1hfg 2
63 3 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1hfg 2
64 1 . 1 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1hfg 2
64 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1hfg 2
65 1 . 1 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1hfg 2
65 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1hfg 2
66 2 . 1 . 1 1 13 13 LEU HB2 H . . . . 13 . HB# rr_1hfg 2
66 2 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1hfg 2
66 3 . 1 . 1 1 13 13 LEU HB3 H . . . . 13 . HB# rr_1hfg 2
66 3 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1hfg 2
67 1 . 1 . 1 1 15 15 TYR HB2 H . . . . 15 . HB2 rr_1hfg 2
67 1 . 2 . 1 1 15 15 TYR H H . . . . 15 . HN rr_1hfg 2
68 1 . 1 . 1 1 15 15 TYR HB3 H . . . . 15 . HB1 rr_1hfg 2
68 1 . 2 . 1 1 15 15 TYR H H . . . . 15 . HN rr_1hfg 2
69 1 . 1 . 1 1 16 16 GLN HB3 H . . . . 16 . HB1 rr_1hfg 2
69 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 2
70 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 2
70 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 2
71 2 . 1 . 1 1 17 17 LYS HB2 H . . . . 17 . HB# rr_1hfg 2
71 2 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1hfg 2
71 3 . 1 . 1 1 17 17 LYS HB3 H . . . . 17 . HB# rr_1hfg 2
71 3 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1hfg 2
72 1 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB1 rr_1hfg 2
72 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 2
73 1 . 1 . 1 1 20 20 LEU HB2 H . . . . 20 . HB2 rr_1hfg 2
73 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 2
74 1 . 1 . 1 1 22 22 GLN HB3 H . . . . 22 . HB1 rr_1hfg 2
74 1 . 2 . 1 1 22 22 GLN H H . . . . 22 . HN rr_1hfg 2
75 1 . 1 . 1 1 23 23 VAL HB H . . . . 23 . HB rr_1hfg 2
75 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 2
76 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1hfg 2
76 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 2
77 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1hfg 2
77 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 2
78 1 . 1 . 1 1 26 26 SER HB3 H . . . . 26 . HB1 rr_1hfg 2
78 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 2
79 1 . 1 . 1 1 26 26 SER HB2 H . . . . 26 . HB2 rr_1hfg 2
79 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 2
80 1 . 1 . 1 1 27 27 SER HB3 H . . . . 27 . HB1 rr_1hfg 2
80 1 . 2 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 2
81 1 . 1 . 1 1 27 27 SER HB2 H . . . . 27 . HB2 rr_1hfg 2
81 1 . 2 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 2
82 2 . 1 . 1 1 28 28 TRP HB3 H . . . . 28 . HB# rr_1hfg 2
82 2 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 2
82 3 . 1 . 1 1 28 28 TRP HB2 H . . . . 28 . HB# rr_1hfg 2
82 3 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 2
83 1 . 1 . 1 1 32 32 SER HB3 H . . . . 32 . HB1 rr_1hfg 2
83 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1hfg 2
84 1 . 1 . 1 1 32 32 SER HB2 H . . . . 32 . HB2 rr_1hfg 2
84 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1hfg 2
85 1 . 1 . 1 1 33 33 GLN HB3 H . . . . 33 . HB1 rr_1hfg 2
85 1 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 2
86 1 . 1 . 1 1 33 33 GLN HB2 H . . . . 33 . HB2 rr_1hfg 2
86 1 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 2
87 2 . 1 . 1 1 34 34 LEU HB2 H . . . . 34 . HB# rr_1hfg 2
87 2 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 2
87 3 . 1 . 1 1 34 34 LEU HB3 H . . . . 34 . HB# rr_1hfg 2
87 3 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 2
88 1 . 1 . 1 1 35 35 CYS HB3 H . . . . 35 . HB1 rr_1hfg 2
88 1 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 2
89 1 . 1 . 1 1 35 35 CYS HB2 H . . . . 35 . HB2 rr_1hfg 2
89 1 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 2
90 2 . 1 . 1 1 36 36 SER HB2 H . . . . 36 . HB# rr_1hfg 2
90 2 . 2 . 1 1 36 36 SER H H . . . . 36 . HN rr_1hfg 2
90 3 . 1 . 1 1 36 36 SER HB3 H . . . . 36 . HB# rr_1hfg 2
90 3 . 2 . 1 1 36 36 SER H H . . . . 36 . HN rr_1hfg 2
91 2 . 1 . 1 1 37 37 LYS HB2 H . . . . 37 . HB# rr_1hfg 2
91 2 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 2
91 3 . 1 . 1 1 37 37 LYS HB3 H . . . . 37 . HB# rr_1hfg 2
91 3 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 2
92 1 . 1 . 1 1 40 40 VAL HB H . . . . 40 . HB rr_1hfg 2
92 1 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 2
93 1 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 2
93 1 . 2 . 1 1 41 41 ILE H H . . . . 41 . HN rr_1hfg 2
94 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 2
94 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 2
95 1 . 1 . 1 1 42 42 PHE HB3 H . . . . 42 . HB1 rr_1hfg 2
95 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 2
96 2 . 1 . 1 1 43 43 LEU HB2 H . . . . 43 . HB# rr_1hfg 2
96 2 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 2
96 3 . 1 . 1 1 43 43 LEU HB3 H . . . . 43 . HB# rr_1hfg 2
96 3 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 2
97 1 . 1 . 1 1 45 45 LYS HB3 H . . . . 45 . HB1 rr_1hfg 2
97 1 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 2
98 1 . 1 . 1 1 46 46 ARG HB3 H . . . . 46 . HB1 rr_1hfg 2
98 1 . 2 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 2
99 1 . 1 . 1 1 46 46 ARG HB2 H . . . . 46 . HB2 rr_1hfg 2
99 1 . 2 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 2
100 1 . 1 . 1 1 48 48 ARG HB3 H . . . . 48 . HB1 rr_1hfg 2
100 1 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 2
101 1 . 1 . 1 1 48 48 ARG HB2 H . . . . 48 . HB2 rr_1hfg 2
101 1 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 2
102 1 . 1 . 1 1 49 49 GLN HB3 H . . . . 49 . HB1 rr_1hfg 2
102 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 2
103 1 . 1 . 1 1 49 49 GLN HB2 H . . . . 49 . HB2 rr_1hfg 2
103 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 2
104 1 . 1 . 1 1 50 50 VAL HB H . . . . 50 . HB rr_1hfg 2
104 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 2
105 1 . 1 . 1 1 51 51 CYS HB3 H . . . . 51 . HB1 rr_1hfg 2
105 1 . 2 . 1 1 51 51 CYS H H . . . . 51 . HN rr_1hfg 2
106 1 . 1 . 1 1 51 51 CYS HB2 H . . . . 51 . HB2 rr_1hfg 2
106 1 . 2 . 1 1 51 51 CYS H H . . . . 51 . HN rr_1hfg 2
107 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 2
107 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 2
108 1 . 1 . 1 1 53 53 ASP HB3 H . . . . 53 . HB1 rr_1hfg 2
108 1 . 2 . 1 1 53 53 ASP H H . . . . 53 . HN rr_1hfg 2
109 1 . 1 . 1 1 53 53 ASP HB2 H . . . . 53 . HB2 rr_1hfg 2
109 1 . 2 . 1 1 53 53 ASP H H . . . . 53 . HN rr_1hfg 2
110 2 . 1 . 1 1 54 54 LYS HB3 H . . . . 54 . HB# rr_1hfg 2
110 2 . 2 . 1 1 54 54 LYS H H . . . . 54 . HN rr_1hfg 2
110 3 . 1 . 1 1 54 54 LYS HB2 H . . . . 54 . HB# rr_1hfg 2
110 3 . 2 . 1 1 54 54 LYS H H . . . . 54 . HN rr_1hfg 2
111 1 . 1 . 1 1 55 55 SER HB3 H . . . . 55 . HB1 rr_1hfg 2
111 1 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 2
112 1 . 1 . 1 1 55 55 SER HB2 H . . . . 55 . HB2 rr_1hfg 2
112 1 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 2
113 2 . 1 . 1 1 57 57 ASP HB2 H . . . . 57 . HB# rr_1hfg 2
113 2 . 2 . 1 1 57 57 ASP H H . . . . 57 . HN rr_1hfg 2
113 3 . 1 . 1 1 57 57 ASP HB3 H . . . . 57 . HB# rr_1hfg 2
113 3 . 2 . 1 1 57 57 ASP H H . . . . 57 . HN rr_1hfg 2
114 1 . 1 . 1 1 58 58 TRP HB3 H . . . . 58 . HB1 rr_1hfg 2
114 1 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 2
115 1 . 1 . 1 1 58 58 TRP HB2 H . . . . 58 . HB2 rr_1hfg 2
115 1 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 2
116 1 . 1 . 1 1 59 59 VAL HB H . . . . 59 . HB rr_1hfg 2
116 1 . 2 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 2
117 2 . 1 . 1 1 60 60 LYS HB2 H . . . . 60 . HB# rr_1hfg 2
117 2 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 2
117 3 . 1 . 1 1 60 60 LYS HB3 H . . . . 60 . HB# rr_1hfg 2
117 3 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 2
118 1 . 1 . 1 1 62 62 LEU HB3 H . . . . 62 . HB1 rr_1hfg 2
118 1 . 2 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 2
119 1 . 1 . 1 1 62 62 LEU HB2 H . . . . 62 . HB2 rr_1hfg 2
119 1 . 2 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 2
120 2 . 1 . 1 1 63 63 MET HB2 H . . . . 63 . HB# rr_1hfg 2
120 2 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 2
120 3 . 1 . 1 1 63 63 MET HB3 H . . . . 63 . HB# rr_1hfg 2
120 3 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 2
121 2 . 1 . 1 1 64 64 GLN HB2 H . . . . 64 . HB# rr_1hfg 2
121 2 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 2
121 3 . 1 . 1 1 64 64 GLN HB3 H . . . . 64 . HB# rr_1hfg 2
121 3 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 2
122 1 . 1 . 1 1 65 65 GLN HB3 H . . . . 65 . HB1 rr_1hfg 2
122 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 2
123 1 . 1 . 1 1 65 65 GLN HB2 H . . . . 65 . HB2 rr_1hfg 2
123 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 2
124 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 2
124 1 . 2 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 2
125 1 . 1 . 1 1 66 66 LEU HB2 H . . . . 66 . HB2 rr_1hfg 2
125 1 . 2 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 2
126 1 . 1 . 1 1 68 68 VAL HB H . . . . 68 . HB rr_1hfg 2
126 1 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 2
127 1 . 1 . 1 1 69 69 THR HB H . . . . 69 . HB rr_1hfg 2
127 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 2
128 2 . 1 . 1 1 16 16 GLN HG2 H . . . . 16 . HG# rr_1hfg 2
128 2 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 2
128 3 . 1 . 1 1 16 16 GLN HG3 H . . . . 16 . HG# rr_1hfg 2
128 3 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 2
129 2 . 1 . 1 1 17 17 LYS HG2 H . . . . 17 . HG# rr_1hfg 2
129 2 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1hfg 2
129 3 . 1 . 1 1 17 17 LYS HG3 H . . . . 17 . HG# rr_1hfg 2
129 3 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1hfg 2
130 2 . 1 . 1 1 18 18 ARG HG2 H . . . . 18 . HG# rr_1hfg 2
130 2 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 2
130 3 . 1 . 1 1 18 18 ARG HG3 H . . . . 18 . HG# rr_1hfg 2
130 3 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 2
131 1 . 1 . 1 1 23 23 VAL MG1 H . . . . 23 . HG1# rr_1hfg 2
131 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 2
132 1 . 1 . 1 1 23 23 VAL MG2 H . . . . 23 . HG2# rr_1hfg 2
132 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 2
133 1 . 1 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 2
133 1 . 2 . 1 1 31 31 THR H H . . . . 31 . HN rr_1hfg 2
134 2 . 1 . 1 1 33 33 GLN HG2 H . . . . 33 . HG# rr_1hfg 2
134 2 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 2
134 3 . 1 . 1 1 33 33 GLN HG3 H . . . . 33 . HG# rr_1hfg 2
134 3 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 2
135 1 . 1 . 1 1 40 40 VAL MG2 H . . . . 40 . HG2# rr_1hfg 2
135 1 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 2
136 1 . 1 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 2
136 1 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 2
137 2 . 1 . 1 1 46 46 ARG HG2 H . . . . 46 . HG# rr_1hfg 2
137 2 . 2 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 2
137 3 . 1 . 1 1 46 46 ARG HG3 H . . . . 46 . HG# rr_1hfg 2
137 3 . 2 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 2
138 2 . 1 . 1 1 48 48 ARG HG3 H . . . . 48 . HG# rr_1hfg 2
138 2 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 2
138 3 . 1 . 1 1 48 48 ARG HG2 H . . . . 48 . HG# rr_1hfg 2
138 3 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 2
139 1 . 1 . 1 1 49 49 GLN HG3 H . . . . 49 . HG1 rr_1hfg 2
139 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 2
140 1 . 1 . 1 1 49 49 GLN HG2 H . . . . 49 . HG2 rr_1hfg 2
140 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 2
141 1 . 1 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 2
141 1 . 2 . 1 1 49 49 GLN HB3 H . . . . 49 . HB1 rr_1hfg 2
142 1 . 1 . 1 1 50 50 VAL MG2 H . . . . 50 . HG2# rr_1hfg 2
142 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 2
143 1 . 1 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 2
143 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 2
144 1 . 1 . 1 1 59 59 VAL MG1 H . . . . 59 . HG1# rr_1hfg 2
144 1 . 2 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 2
145 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 2
145 1 . 2 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 2
146 2 . 1 . 1 1 60 60 LYS HG2 H . . . . 60 . HG# rr_1hfg 2
146 2 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 2
146 3 . 1 . 1 1 60 60 LYS HG3 H . . . . 60 . HG# rr_1hfg 2
146 3 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 2
147 2 . 1 . 1 1 61 61 LYS HG2 H . . . . 61 . HG# rr_1hfg 2
147 2 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 2
147 3 . 1 . 1 1 61 61 LYS HG3 H . . . . 61 . HG# rr_1hfg 2
147 3 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 2
148 2 . 1 . 1 1 63 63 MET HG3 H . . . . 63 . HG# rr_1hfg 2
148 2 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 2
148 3 . 1 . 1 1 63 63 MET HG2 H . . . . 63 . HG# rr_1hfg 2
148 3 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 2
149 2 . 1 . 1 1 64 64 GLN HG3 H . . . . 64 . HG# rr_1hfg 2
149 2 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 2
149 3 . 1 . 1 1 64 64 GLN HG2 H . . . . 64 . HG# rr_1hfg 2
149 3 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 2
150 1 . 1 . 1 1 65 65 GLN HG3 H . . . . 65 . HG1 rr_1hfg 2
150 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 2
151 1 . 1 . 1 1 65 65 GLN HG2 H . . . . 65 . HG2 rr_1hfg 2
151 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 2
152 1 . 1 . 1 1 68 68 VAL MG1 H . . . . 68 . HG1# rr_1hfg 2
152 1 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 2
153 1 . 1 . 1 1 68 68 VAL MG2 H . . . . 68 . HG2# rr_1hfg 2
153 1 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 2
154 1 . 1 . 1 1 69 69 THR MG H . . . . 69 . HG2# rr_1hfg 2
154 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 2
155 1 . 1 . 1 1 5 5 TRP HD1 H . . . . 5 . HD1 rr_1hfg 2
155 1 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_1hfg 2
156 2 . 1 . 1 1 18 18 ARG HD2 H . . . . 18 . HD# rr_1hfg 2
156 2 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 2
156 3 . 1 . 1 1 18 18 ARG HD3 H . . . . 18 . HD# rr_1hfg 2
156 3 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 2
157 1 . 1 . 1 1 20 20 LEU MD1 H . . . . 20 . HD1# rr_1hfg 2
157 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 2
158 2 . 1 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 2
158 2 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 2
158 3 . 1 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 2
158 3 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 2
159 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1hfg 2
159 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 2
160 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 2
160 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 2
161 1 . 1 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 2
161 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 2
162 1 . 1 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 2
162 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 2
163 1 . 1 . 1 1 34 34 LEU MD1 H . . . . 34 . HD1# rr_1hfg 2
163 1 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 2
164 1 . 1 . 1 1 34 34 LEU MD2 H . . . . 34 . HD2# rr_1hfg 2
164 1 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 2
165 1 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD1# rr_1hfg 2
165 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 2
166 1 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD2# rr_1hfg 2
166 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 2
167 1 . 1 . 1 1 58 58 TRP HD1 H . . . . 58 . HD1 rr_1hfg 2
167 1 . 2 . 1 1 58 58 TRP HE1 H . . . . 58 . HE1 rr_1hfg 2
168 1 . 1 . 1 1 58 58 TRP HD1 H . . . . 58 . HD1 rr_1hfg 2
168 1 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 2
169 1 . 1 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 2
169 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 2
170 1 . 1 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_1hfg 2
170 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 5 . HE3 rr_1hfg 2
171 2 . 1 . 1 1 5 5 TRP HB2 H . . . . 5 . HB# rr_1hfg 2
171 2 . 2 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_1hfg 2
171 3 . 1 . 1 1 5 5 TRP HB3 H . . . . 5 . HB# rr_1hfg 2
171 3 . 2 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_1hfg 2
172 1 . 1 . 1 1 5 5 TRP HZ2 H . . . . 5 . HZ2 rr_1hfg 2
172 1 . 2 . 1 1 5 5 TRP HE1 H . . . . 5 . HE1 rr_1hfg 2
173 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 6 . HB# rr_1hfg 2
173 2 . 2 . 1 1 6 6 HIS HA H . . . . 6 . HA rr_1hfg 2
173 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 6 . HB# rr_1hfg 2
173 3 . 2 . 1 1 6 6 HIS HA H . . . . 6 . HA rr_1hfg 2
174 2 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 . HB# rr_1hfg 2
174 2 . 2 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 2
174 3 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 . HB# rr_1hfg 2
174 3 . 2 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 2
175 2 . 1 . 1 1 10 10 LYS HD2 H . . . . 10 . HD# rr_1hfg 2
175 2 . 2 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 2
175 3 . 1 . 1 1 10 10 LYS HD3 H . . . . 10 . HD# rr_1hfg 2
175 3 . 2 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 2
176 2 . 1 . 1 1 10 10 LYS HG2 H . . . . 10 . HG# rr_1hfg 2
176 2 . 2 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 2
176 3 . 1 . 1 1 10 10 LYS HG3 H . . . . 10 . HG# rr_1hfg 2
176 3 . 2 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 2
177 1 . 1 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1hfg 2
177 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1hfg 2
178 1 . 1 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1hfg 2
178 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1hfg 2
179 1 . 1 . 1 1 15 15 TYR HA H . . . . 15 . HA rr_1hfg 2
179 1 . 2 . 1 1 15 15 TYR QD H . . . . 15 . HD# rr_1hfg 2
180 1 . 1 . 1 1 15 15 TYR HB2 H . . . . 15 . HB2 rr_1hfg 2
180 1 . 2 . 1 1 15 15 TYR HA H . . . . 15 . HA rr_1hfg 2
181 1 . 1 . 1 1 15 15 TYR HB2 H . . . . 15 . HB2 rr_1hfg 2
181 1 . 2 . 1 1 15 15 TYR QD H . . . . 15 . HD# rr_1hfg 2
182 1 . 1 . 1 1 15 15 TYR HB3 H . . . . 15 . HB1 rr_1hfg 2
182 1 . 2 . 1 1 15 15 TYR HA H . . . . 15 . HA rr_1hfg 2
183 1 . 1 . 1 1 15 15 TYR HB3 H . . . . 15 . HB1 rr_1hfg 2
183 1 . 2 . 1 1 15 15 TYR QD H . . . . 15 . HD# rr_1hfg 2
184 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 2
184 1 . 2 . 1 1 16 16 GLN HA H . . . . 16 . HA rr_1hfg 2
185 1 . 1 . 1 1 16 16 GLN HB3 H . . . . 16 . HB1 rr_1hfg 2
185 1 . 2 . 1 1 16 16 GLN HA H . . . . 16 . HA rr_1hfg 2
186 2 . 1 . 1 1 16 16 GLN HG2 H . . . . 16 . HG# rr_1hfg 2
186 2 . 2 . 1 1 16 16 GLN HA H . . . . 16 . HA rr_1hfg 2
186 3 . 1 . 1 1 16 16 GLN HG3 H . . . . 16 . HG# rr_1hfg 2
186 3 . 2 . 1 1 16 16 GLN HA H . . . . 16 . HA rr_1hfg 2
187 2 . 1 . 1 1 17 17 LYS HG2 H . . . . 17 . HG# rr_1hfg 2
187 2 . 2 . 1 1 17 17 LYS HA H . . . . 17 . HA rr_1hfg 2
187 3 . 1 . 1 1 17 17 LYS HG3 H . . . . 17 . HG# rr_1hfg 2
187 3 . 2 . 1 1 17 17 LYS HA H . . . . 17 . HA rr_1hfg 2
188 2 . 1 . 1 1 18 18 ARG HG2 H . . . . 18 . HG# rr_1hfg 2
188 2 . 2 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1hfg 2
188 3 . 1 . 1 1 18 18 ARG HG3 H . . . . 18 . HG# rr_1hfg 2
188 3 . 2 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1hfg 2
189 1 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB1 rr_1hfg 2
189 1 . 2 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1hfg 2
190 1 . 1 . 1 1 20 20 LEU HB2 H . . . . 20 . HB2 rr_1hfg 2
190 1 . 2 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1hfg 2
191 1 . 1 . 1 1 21 21 PRO HB3 H . . . . 21 . HB1 rr_1hfg 2
191 1 . 2 . 1 1 21 21 PRO HA H . . . . 21 . HA rr_1hfg 2
192 1 . 1 . 1 1 22 22 GLN HB3 H . . . . 22 . HB1 rr_1hfg 2
192 1 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 2
193 1 . 1 . 1 1 22 22 GLN HB2 H . . . . 22 . HB2 rr_1hfg 2
193 1 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 2
194 2 . 1 . 1 1 22 22 GLN HG2 H . . . . 22 . HG# rr_1hfg 2
194 2 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 2
194 3 . 1 . 1 1 22 22 GLN HG3 H . . . . 22 . HG# rr_1hfg 2
194 3 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 2
195 1 . 1 . 1 1 23 23 VAL HB H . . . . 23 . HB rr_1hfg 2
195 1 . 2 . 1 1 23 23 VAL HA H . . . . 23 . HA rr_1hfg 2
196 1 . 1 . 1 1 23 23 VAL MG1 H . . . . 23 . HG1# rr_1hfg 2
196 1 . 2 . 1 1 23 23 VAL HA H . . . . 23 . HA rr_1hfg 2
197 1 . 1 . 1 1 23 23 VAL MG2 H . . . . 23 . HG2# rr_1hfg 2
197 1 . 2 . 1 1 23 23 VAL HA H . . . . 23 . HA rr_1hfg 2
198 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1hfg 2
198 1 . 2 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 2
199 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1hfg 2
199 1 . 2 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 2
200 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1hfg 2
200 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 2
201 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1hfg 2
201 1 . 2 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 2
202 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 2
202 1 . 2 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 2
203 1 . 1 . 1 1 27 27 SER HB3 H . . . . 27 . HB1 rr_1hfg 2
203 1 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 2
204 1 . 1 . 1 1 27 27 SER HB2 H . . . . 27 . HB2 rr_1hfg 2
204 1 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 2
205 1 . 1 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 2
205 1 . 2 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 2
206 1 . 1 . 1 1 28 28 TRP HB3 H . . . . 28 . HB1 rr_1hfg 2
206 1 . 2 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 2
207 1 . 1 . 1 1 28 28 TRP HB2 H . . . . 28 . HB2 rr_1hfg 2
207 1 . 2 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 2
208 2 . 1 . 1 1 28 28 TRP HB3 H . . . . 28 . HB# rr_1hfg 2
208 2 . 2 . 1 1 28 28 TRP HE3 H . . . . 28 . HE3 rr_1hfg 2
208 3 . 1 . 1 1 28 28 TRP HB2 H . . . . 28 . HB# rr_1hfg 2
208 3 . 2 . 1 1 28 28 TRP HE3 H . . . . 28 . HE3 rr_1hfg 2
209 1 . 1 . 1 1 28 28 TRP HZ2 H . . . . 28 . HZ2 rr_1hfg 2
209 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 2
210 2 . 1 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 2
210 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 2
210 3 . 1 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 2
210 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 2
211 2 . 1 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 2
211 2 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 2
211 3 . 1 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 2
211 3 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 2
212 1 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 2
212 1 . 2 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 2
213 1 . 1 . 1 1 29 29 TYR HB2 H . . . . 29 . HB2 rr_1hfg 2
213 1 . 2 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 2
214 2 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 2
214 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 2
214 3 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 2
214 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 2
215 2 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 2
215 2 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE# rr_1hfg 2
215 3 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 2
215 3 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE# rr_1hfg 2
216 2 . 1 . 1 1 29 29 TYR HB2 H . . . . 29 . HB2 rr_1hfg 2
216 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 2
216 3 . 1 . 1 1 29 29 TYR HB2 H . . . . 29 . HB2 rr_1hfg 2
216 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 2
217 1 . 1 . 1 1 30 30 PRO HB3 H . . . . 30 . HB1 rr_1hfg 2
217 1 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 2
218 1 . 1 . 1 1 30 30 PRO HB2 H . . . . 30 . HB2 rr_1hfg 2
218 1 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 2
219 2 . 1 . 1 1 30 30 PRO HG2 H . . . . 30 . HG# rr_1hfg 2
219 2 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 2
219 3 . 1 . 1 1 30 30 PRO HG3 H . . . . 30 . HG# rr_1hfg 2
219 3 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 2
220 1 . 1 . 1 1 31 31 THR HA H . . . . 31 . HA rr_1hfg 2
220 1 . 2 . 1 1 31 31 THR HB H . . . . 31 . HB rr_1hfg 2
221 1 . 1 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 2
221 1 . 2 . 1 1 31 31 THR HA H . . . . 31 . HA rr_1hfg 2
222 1 . 1 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 2
222 1 . 2 . 1 1 31 31 THR HB H . . . . 31 . HB rr_1hfg 2
223 1 . 1 . 1 1 33 33 GLN HB3 H . . . . 33 . HB1 rr_1hfg 2
223 1 . 2 . 1 1 33 33 GLN HA H . . . . 33 . HA rr_1hfg 2
224 2 . 1 . 1 1 34 34 LEU HB2 H . . . . 34 . HB# rr_1hfg 2
224 2 . 2 . 1 1 34 34 LEU HA H . . . . 34 . HA rr_1hfg 2
224 3 . 1 . 1 1 34 34 LEU HB3 H . . . . 34 . HB# rr_1hfg 2
224 3 . 2 . 1 1 34 34 LEU HA H . . . . 34 . HA rr_1hfg 2
225 1 . 1 . 1 1 35 35 CYS HB3 H . . . . 35 . HB1 rr_1hfg 2
225 1 . 2 . 1 1 35 35 CYS HA H . . . . 35 . HA rr_1hfg 2
226 1 . 1 . 1 1 35 35 CYS HB2 H . . . . 35 . HB2 rr_1hfg 2
226 1 . 2 . 1 1 35 35 CYS HA H . . . . 35 . HA rr_1hfg 2
227 2 . 1 . 1 1 36 36 SER HB2 H . . . . 36 . HB# rr_1hfg 2
227 2 . 2 . 1 1 36 36 SER HA H . . . . 36 . HA rr_1hfg 2
227 3 . 1 . 1 1 36 36 SER HB3 H . . . . 36 . HB# rr_1hfg 2
227 3 . 2 . 1 1 36 36 SER HA H . . . . 36 . HA rr_1hfg 2
228 2 . 1 . 1 1 37 37 LYS HB2 H . . . . 37 . HB# rr_1hfg 2
228 2 . 2 . 1 1 37 37 LYS HA H . . . . 37 . HA rr_1hfg 2
228 3 . 1 . 1 1 37 37 LYS HB3 H . . . . 37 . HB# rr_1hfg 2
228 3 . 2 . 1 1 37 37 LYS HA H . . . . 37 . HA rr_1hfg 2
229 1 . 1 . 1 1 38 38 PRO HB2 H . . . . 38 . HB2 rr_1hfg 2
229 1 . 2 . 1 1 38 38 PRO HA H . . . . 38 . HA rr_1hfg 2
230 1 . 1 . 1 1 38 38 PRO HB3 H . . . . 38 . HB1 rr_1hfg 2
230 1 . 2 . 1 1 38 38 PRO HA H . . . . 38 . HA rr_1hfg 2
231 2 . 1 . 1 1 38 38 PRO HB3 H . . . . 38 . HB1 rr_1hfg 2
231 2 . 2 . 1 1 38 38 PRO HD2 H . . . . 38 . HD# rr_1hfg 2
231 3 . 1 . 1 1 38 38 PRO HB3 H . . . . 38 . HB1 rr_1hfg 2
231 3 . 2 . 1 1 38 38 PRO HD3 H . . . . 38 . HD# rr_1hfg 2
232 2 . 1 . 1 1 38 38 PRO HG2 H . . . . 38 . HG# rr_1hfg 2
232 2 . 2 . 1 1 38 38 PRO HA H . . . . 38 . HA rr_1hfg 2
232 3 . 1 . 1 1 38 38 PRO HG3 H . . . . 38 . HG# rr_1hfg 2
232 3 . 2 . 1 1 38 38 PRO HA H . . . . 38 . HA rr_1hfg 2
233 1 . 1 . 1 1 40 40 VAL HB H . . . . 40 . HB rr_1hfg 2
233 1 . 2 . 1 1 40 40 VAL HA H . . . . 40 . HA rr_1hfg 2
234 1 . 1 . 1 1 40 40 VAL MG2 H . . . . 40 . HG2# rr_1hfg 2
234 1 . 2 . 1 1 40 40 VAL HA H . . . . 40 . HA rr_1hfg 2
235 1 . 1 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 2
235 1 . 2 . 1 1 40 40 VAL HA H . . . . 40 . HA rr_1hfg 2
236 1 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 2
236 1 . 2 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 2
237 2 . 1 . 1 1 41 41 ILE HG12 H . . . . 41 . HG1# rr_1hfg 2
237 2 . 2 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 2
237 3 . 1 . 1 1 41 41 ILE HG13 H . . . . 41 . HG1# rr_1hfg 2
237 3 . 2 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 2
238 1 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 2
238 1 . 2 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 2
239 1 . 1 . 1 1 42 42 PHE HB3 H . . . . 42 . HB1 rr_1hfg 2
239 1 . 2 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 2
240 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 2
240 1 . 2 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 2
241 1 . 1 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 2
241 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 2
242 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 2
242 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 2
243 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 2
243 1 . 2 . 1 1 42 42 PHE QE H . . . . 42 . HE# rr_1hfg 2
244 1 . 1 . 1 1 42 42 PHE HB3 H . . . . 42 . HB1 rr_1hfg 2
244 1 . 2 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 2
245 2 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD# rr_1hfg 2
245 2 . 2 . 1 1 43 43 LEU HA H . . . . 43 . HA rr_1hfg 2
245 3 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD# rr_1hfg 2
245 3 . 2 . 1 1 43 43 LEU HA H . . . . 43 . HA rr_1hfg 2
246 1 . 1 . 1 1 44 44 THR HB H . . . . 44 . HB rr_1hfg 2
246 1 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 2
247 1 . 1 . 1 1 44 44 THR MG H . . . . 44 . HG2# rr_1hfg 2
247 1 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 2
248 1 . 1 . 1 1 45 45 LYS HB2 H . . . . 45 . HB2 rr_1hfg 2
248 1 . 2 . 1 1 45 45 LYS HA H . . . . 45 . HA rr_1hfg 2
249 1 . 1 . 1 1 45 45 LYS HB3 H . . . . 45 . HB1 rr_1hfg 2
249 1 . 2 . 1 1 45 45 LYS HA H . . . . 45 . HA rr_1hfg 2
250 1 . 1 . 1 1 45 45 LYS HG2 H . . . . 45 . HG2 rr_1hfg 2
250 1 . 2 . 1 1 45 45 LYS HA H . . . . 45 . HA rr_1hfg 2
251 1 . 1 . 1 1 45 45 LYS HG3 H . . . . 45 . HG1 rr_1hfg 2
251 1 . 2 . 1 1 45 45 LYS HA H . . . . 45 . HA rr_1hfg 2
252 1 . 1 . 1 1 46 46 ARG HB3 H . . . . 46 . HB1 rr_1hfg 2
252 1 . 2 . 1 1 46 46 ARG HA H . . . . 46 . HA rr_1hfg 2
253 1 . 1 . 1 1 46 46 ARG HB2 H . . . . 46 . HB2 rr_1hfg 2
253 1 . 2 . 1 1 46 46 ARG HA H . . . . 46 . HA rr_1hfg 2
254 1 . 1 . 1 1 48 48 ARG HB3 H . . . . 48 . HB1 rr_1hfg 2
254 1 . 2 . 1 1 48 48 ARG HA H . . . . 48 . HA rr_1hfg 2
255 1 . 1 . 1 1 48 48 ARG HB2 H . . . . 48 . HB2 rr_1hfg 2
255 1 . 2 . 1 1 48 48 ARG HA H . . . . 48 . HA rr_1hfg 2
256 1 . 1 . 1 1 48 48 ARG HG3 H . . . . 48 . HG1 rr_1hfg 2
256 1 . 2 . 1 1 48 48 ARG HA H . . . . 48 . HA rr_1hfg 2
257 1 . 1 . 1 1 48 48 ARG HG2 H . . . . 48 . HG2 rr_1hfg 2
257 1 . 2 . 1 1 48 48 ARG HA H . . . . 48 . HA rr_1hfg 2
258 1 . 1 . 1 1 49 49 GLN HB3 H . . . . 49 . HB1 rr_1hfg 2
258 1 . 2 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 2
259 1 . 1 . 1 1 49 49 GLN HB2 H . . . . 49 . HB2 rr_1hfg 2
259 1 . 2 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 2
260 1 . 1 . 1 1 49 49 GLN HG3 H . . . . 49 . HG1 rr_1hfg 2
260 1 . 2 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 2
261 1 . 1 . 1 1 49 49 GLN HG2 H . . . . 49 . HG2 rr_1hfg 2
261 1 . 2 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 2
262 1 . 1 . 1 1 50 50 VAL HB H . . . . 50 . HB rr_1hfg 2
262 1 . 2 . 1 1 50 50 VAL HA H . . . . 50 . HA rr_1hfg 2
263 1 . 1 . 1 1 50 50 VAL MG2 H . . . . 50 . HG2# rr_1hfg 2
263 1 . 2 . 1 1 50 50 VAL HA H . . . . 50 . HA rr_1hfg 2
264 1 . 1 . 1 1 51 51 CYS HB3 H . . . . 51 . HB1 rr_1hfg 2
264 1 . 2 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 2
265 1 . 1 . 1 1 51 51 CYS HB2 H . . . . 51 . HB2 rr_1hfg 2
265 1 . 2 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 2
266 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 2
266 1 . 2 . 1 1 52 52 ALA HA H . . . . 52 . HA rr_1hfg 2
267 1 . 1 . 1 1 53 53 ASP HB3 H . . . . 53 . HB1 rr_1hfg 2
267 1 . 2 . 1 1 53 53 ASP HA H . . . . 53 . HA rr_1hfg 2
268 1 . 1 . 1 1 53 53 ASP HB2 H . . . . 53 . HB2 rr_1hfg 2
268 1 . 2 . 1 1 53 53 ASP HA H . . . . 53 . HA rr_1hfg 2
269 1 . 1 . 1 1 54 54 LYS HB3 H . . . . 54 . HB1 rr_1hfg 2
269 1 . 2 . 1 1 54 54 LYS HA H . . . . 54 . HA rr_1hfg 2
270 1 . 1 . 1 1 54 54 LYS HB2 H . . . . 54 . HB2 rr_1hfg 2
270 1 . 2 . 1 1 54 54 LYS HA H . . . . 54 . HA rr_1hfg 2
271 1 . 1 . 1 1 55 55 SER HB3 H . . . . 55 . HB1 rr_1hfg 2
271 1 . 2 . 1 1 55 55 SER HA H . . . . 55 . HA rr_1hfg 2
272 1 . 1 . 1 1 55 55 SER HB2 H . . . . 55 . HB2 rr_1hfg 2
272 1 . 2 . 1 1 55 55 SER HA H . . . . 55 . HA rr_1hfg 2
273 2 . 1 . 1 1 56 56 LYS HB2 H . . . . 56 . HB# rr_1hfg 2
273 2 . 2 . 1 1 56 56 LYS HA H . . . . 56 . HA rr_1hfg 2
273 3 . 1 . 1 1 56 56 LYS HB3 H . . . . 56 . HB# rr_1hfg 2
273 3 . 2 . 1 1 56 56 LYS HA H . . . . 56 . HA rr_1hfg 2
274 2 . 1 . 1 1 56 56 LYS HG2 H . . . . 56 . HG# rr_1hfg 2
274 2 . 2 . 1 1 56 56 LYS HA H . . . . 56 . HA rr_1hfg 2
274 3 . 1 . 1 1 56 56 LYS HG3 H . . . . 56 . HG# rr_1hfg 2
274 3 . 2 . 1 1 56 56 LYS HA H . . . . 56 . HA rr_1hfg 2
275 2 . 1 . 1 1 57 57 ASP HB2 H . . . . 57 . HB# rr_1hfg 2
275 2 . 2 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 2
275 3 . 1 . 1 1 57 57 ASP HB3 H . . . . 57 . HB# rr_1hfg 2
275 3 . 2 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 2
276 1 . 1 . 1 1 58 58 TRP HB3 H . . . . 58 . HB1 rr_1hfg 2
276 1 . 2 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 2
277 1 . 1 . 1 1 58 58 TRP HB2 H . . . . 58 . HB2 rr_1hfg 2
277 1 . 2 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 2
278 1 . 1 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 2
278 1 . 2 . 1 1 58 58 TRP HD1 H . . . . 58 . HD1 rr_1hfg 2
279 1 . 1 . 1 1 58 58 TRP HB3 H . . . . 58 . HB1 rr_1hfg 2
279 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 2
280 1 . 1 . 1 1 58 58 TRP HB3 H . . . . 58 . HB1 rr_1hfg 2
280 1 . 2 . 1 1 58 58 TRP HD1 H . . . . 58 . HD1 rr_1hfg 2
281 1 . 1 . 1 1 58 58 TRP HB2 H . . . . 58 . HB2 rr_1hfg 2
281 1 . 2 . 1 1 58 58 TRP HD1 H . . . . 58 . HD1 rr_1hfg 2
282 1 . 1 . 1 1 58 58 TRP HB2 H . . . . 58 . HB2 rr_1hfg 2
282 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 2
283 1 . 1 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 2
283 1 . 2 . 1 1 58 58 TRP HE1 H . . . . 58 . HE1 rr_1hfg 2
284 1 . 1 . 1 1 59 59 VAL MG1 H . . . . 59 . HG1# rr_1hfg 2
284 1 . 2 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 2
285 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 2
285 1 . 2 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 2
286 2 . 1 . 1 1 60 60 LYS HB2 H . . . . 60 . HB# rr_1hfg 2
286 2 . 2 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 2
286 3 . 1 . 1 1 60 60 LYS HB3 H . . . . 60 . HB# rr_1hfg 2
286 3 . 2 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 2
287 2 . 1 . 1 1 61 61 LYS HG2 H . . . . 61 . HG# rr_1hfg 2
287 2 . 2 . 1 1 61 61 LYS HA H . . . . 61 . HA rr_1hfg 2
287 3 . 1 . 1 1 61 61 LYS HG3 H . . . . 61 . HG# rr_1hfg 2
287 3 . 2 . 1 1 61 61 LYS HA H . . . . 61 . HA rr_1hfg 2
288 1 . 1 . 1 1 62 62 LEU HB3 H . . . . 62 . HB1 rr_1hfg 2
288 1 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 2
289 1 . 1 . 1 1 62 62 LEU HB2 H . . . . 62 . HB2 rr_1hfg 2
289 1 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 2
290 1 . 1 . 1 1 62 62 LEU MD1 H . . . . 62 . HD1# rr_1hfg 2
290 1 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 2
291 1 . 1 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 2
291 1 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 2
292 2 . 1 . 1 1 63 63 MET HB2 H . . . . 63 . HB# rr_1hfg 2
292 2 . 2 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 2
292 3 . 1 . 1 1 63 63 MET HB3 H . . . . 63 . HB# rr_1hfg 2
292 3 . 2 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 2
293 2 . 1 . 1 1 64 64 GLN HB2 H . . . . 64 . HB# rr_1hfg 2
293 2 . 2 . 1 1 64 64 GLN HA H . . . . 64 . HA rr_1hfg 2
293 3 . 1 . 1 1 64 64 GLN HB3 H . . . . 64 . HB# rr_1hfg 2
293 3 . 2 . 1 1 64 64 GLN HA H . . . . 64 . HA rr_1hfg 2
294 1 . 1 . 1 1 64 64 GLN HG3 H . . . . 64 . HG1 rr_1hfg 2
294 1 . 2 . 1 1 64 64 GLN HA H . . . . 64 . HA rr_1hfg 2
295 1 . 1 . 1 1 64 64 GLN HG2 H . . . . 64 . HG2 rr_1hfg 2
295 1 . 2 . 1 1 64 64 GLN HA H . . . . 64 . HA rr_1hfg 2
296 2 . 1 . 1 1 65 65 GLN HB3 H . . . . 65 . HB# rr_1hfg 2
296 2 . 2 . 1 1 65 65 GLN HA H . . . . 65 . HA rr_1hfg 2
296 3 . 1 . 1 1 65 65 GLN HB2 H . . . . 65 . HB# rr_1hfg 2
296 3 . 2 . 1 1 65 65 GLN HA H . . . . 65 . HA rr_1hfg 2
297 1 . 1 . 1 1 65 65 GLN HG3 H . . . . 65 . HG1 rr_1hfg 2
297 1 . 2 . 1 1 65 65 GLN HA H . . . . 65 . HA rr_1hfg 2
298 1 . 1 . 1 1 65 65 GLN HG2 H . . . . 65 . HG2 rr_1hfg 2
298 1 . 2 . 1 1 65 65 GLN HA H . . . . 65 . HA rr_1hfg 2
299 1 . 1 . 1 1 66 66 LEU HB2 H . . . . 66 . HB2 rr_1hfg 2
299 1 . 2 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 2
300 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 2
300 1 . 2 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 2
301 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 2
301 2 . 2 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 2
301 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 2
301 3 . 2 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 2
302 1 . 1 . 1 1 66 66 LEU HG H . . . . 66 . HG rr_1hfg 2
302 1 . 2 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 2
303 1 . 1 . 1 1 67 67 PRO HB2 H . . . . 67 . HB2 rr_1hfg 2
303 1 . 2 . 1 1 67 67 PRO HA H . . . . 67 . HA rr_1hfg 2
304 1 . 1 . 1 1 67 67 PRO HB3 H . . . . 67 . HB1 rr_1hfg 2
304 1 . 2 . 1 1 67 67 PRO HA H . . . . 67 . HA rr_1hfg 2
305 2 . 1 . 1 1 67 67 PRO HG2 H . . . . 67 . HG# rr_1hfg 2
305 2 . 2 . 1 1 67 67 PRO HA H . . . . 67 . HA rr_1hfg 2
305 3 . 1 . 1 1 67 67 PRO HG3 H . . . . 67 . HG# rr_1hfg 2
305 3 . 2 . 1 1 67 67 PRO HA H . . . . 67 . HA rr_1hfg 2
306 1 . 1 . 1 1 69 69 THR MG H . . . . 69 . HG2# rr_1hfg 2
306 1 . 2 . 1 1 69 69 THR HA H . . . . 69 . HA rr_1hfg 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
2 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
3 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
4 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
5 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
6 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
7 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
8 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
9 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
9 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
10 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
11 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
12 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
13 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
14 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
15 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
16 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
17 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
18 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
19 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
20 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
21 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
22 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
23 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
24 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
25 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
26 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
27 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
27 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
28 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
29 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
30 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
31 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
32 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
33 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
34 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
35 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
36 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
37 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
38 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
39 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
40 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
41 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
42 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
43 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
44 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
45 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
46 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
47 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
48 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
49 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
50 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
51 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
52 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
53 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
54 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
55 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
56 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
57 1 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
58 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
58 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
59 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
59 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
60 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
60 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
61 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
62 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
63 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
63 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
64 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
65 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
66 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
66 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
67 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
68 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
69 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
70 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
71 2 . . . . . . 3.5 1.8 5.0 rr_1hfg 2
71 3 . . . . . . 3.5 1.8 5.0 rr_1hfg 2
72 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
73 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
74 1 . . . . . . 2.4 1.8 2.7 rr_1hfg 2
75 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
76 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
77 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
78 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
79 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
80 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
81 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
82 2 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
82 3 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
83 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
84 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
85 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
86 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
87 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
87 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
88 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
89 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
90 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
90 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
91 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
91 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
92 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
93 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
94 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
95 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
96 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
96 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
97 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
98 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
99 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
100 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
101 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
102 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
103 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
104 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
105 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
106 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
107 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
108 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
109 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
110 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
110 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
111 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
112 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
113 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
113 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
114 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
115 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
116 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
117 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
117 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
118 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
119 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
120 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
120 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
121 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
121 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
122 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
123 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
124 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
125 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
126 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
127 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
128 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
128 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
129 2 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
129 3 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
130 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
130 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
131 1 . . . . . . 2.4 1.8 3.4 rr_1hfg 2
132 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
133 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
134 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
134 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
135 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
136 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
137 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
137 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
138 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
138 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
139 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
140 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
141 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
142 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
143 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
144 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
145 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
146 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
146 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
147 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
147 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
148 2 . . . . . . 2.4 1.6 3.9 rr_1hfg 2
148 3 . . . . . . 2.4 1.6 3.9 rr_1hfg 2
149 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
149 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
150 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
151 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
152 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
153 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
154 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
155 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
156 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
156 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
157 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
158 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
158 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
159 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
160 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
161 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
162 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
163 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
164 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
165 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
166 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
167 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
168 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
169 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
170 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
171 2 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
171 3 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
172 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
173 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
173 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
174 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
174 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
175 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
175 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
176 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
176 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
177 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
178 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
179 1 . . . . . . 2.4 1.8 4.9 rr_1hfg 2
180 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
181 1 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
182 1 . . . . . . 2.4 1.2 2.9 rr_1hfg 2
183 1 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
184 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
185 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
186 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
186 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
187 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
187 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
188 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
188 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
189 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
190 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
191 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
192 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
193 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
194 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
194 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
195 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
196 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
197 1 . . . . . . 2.4 1.8 3.4 rr_1hfg 2
198 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
199 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
200 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
201 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
202 1 . . . . . . 2.4 1.8 3.4 rr_1hfg 2
203 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
204 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
205 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
206 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
207 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
208 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
208 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
209 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
210 2 . . . . . . 3.0 1.8 5.8 rr_1hfg 2
210 3 . . . . . . 3.0 1.8 5.8 rr_1hfg 2
211 2 . . . . . . 4.0 1.8 6.8 rr_1hfg 2
211 3 . . . . . . 4.0 1.8 6.8 rr_1hfg 2
212 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
213 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
214 2 . . . . . . 3.0 1.8 5.8 rr_1hfg 2
214 3 . . . . . . 3.0 1.8 5.8 rr_1hfg 2
215 2 . . . . . . 4.0 1.8 6.8 rr_1hfg 2
215 3 . . . . . . 4.0 1.8 6.8 rr_1hfg 2
216 2 . . . . . . 3.0 1.8 5.8 rr_1hfg 2
216 3 . . . . . . 3.0 1.8 5.8 rr_1hfg 2
217 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
218 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
219 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
219 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 2
220 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
221 1 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
222 1 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
223 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
224 2 . . . . . . 2.4 1.6 3.9 rr_1hfg 2
224 3 . . . . . . 2.4 1.6 3.9 rr_1hfg 2
225 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
226 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
227 2 . . . . . . 2.4 1.6 3.9 rr_1hfg 2
227 3 . . . . . . 2.4 1.6 3.9 rr_1hfg 2
228 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
228 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
229 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
230 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
231 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
231 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
232 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
232 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
233 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
234 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
235 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
236 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
237 2 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
237 3 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
238 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
239 1 . . . . . . 2.4 1.6 2.9 rr_1hfg 2
240 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
241 1 . . . . . . 2.4 1.8 4.9 rr_1hfg 2
242 1 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
243 1 . . . . . . 4.0 1.8 6.5 rr_1hfg 2
244 1 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
245 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
245 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 2
246 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
247 1 . . . . . . 2.4 1.8 3.4 rr_1hfg 2
248 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
249 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
250 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
251 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
252 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
253 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
254 1 . . . . . . 2.4 1.2 2.9 rr_1hfg 2
255 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
256 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
257 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
258 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
259 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
260 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
261 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
262 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
263 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
264 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
265 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
266 1 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
267 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
268 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
269 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
270 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
271 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
272 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
273 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
273 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
274 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
274 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
275 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
275 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
276 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
277 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
278 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
279 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
280 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
281 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 2
282 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
283 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
284 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
285 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
286 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
286 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
287 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
287 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
288 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 2
289 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
290 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 2
291 1 . . . . . . 2.4 1.8 3.4 rr_1hfg 2
292 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
292 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
293 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
293 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 2
294 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
295 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
296 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
296 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
297 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
298 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
299 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
300 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
301 2 . . . . . . 2.4 1.8 4.9 rr_1hfg 2
301 3 . . . . . . 2.4 1.8 4.9 rr_1hfg 2
302 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
303 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
304 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 2
305 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
305 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 2
306 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "HA-HN (i=j)" 1 1 1 14 rr_1hfg 2
2 "assign (resid 39 and name HA1 ) (resid 39 and name HN ) 3.0 1.2 0.5" 61 1 61 71 rr_1hfg 2
3 "HN-HB (i=j)" 125 1 125 14 rr_1hfg 2
4 "assign (resid 10 and name HB2 ) (resid 10 and name HN ) 3.0 1.2 0.5" 145 1 145 71 rr_1hfg 2
5 "assign (resid 28 and name HB2 ) (resid 28 and name HN ) 4.0 2.2 1.0" 189 1 189 71 rr_1hfg 2
6 "assign (resid 43 and name HB1 ) (resid 43 and name HN ) 3.0 1.2 0.5" 223 1 223 71 rr_1hfg 2
7
;assign (resid 54 and name HB1 ) (resid 54 and name HN ) 2.4 0.6 0.3
assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 0.5
;
257 1 259 71 rr_1hfg 2
8 "assign (resid 60 and name HB2 ) (resid 60 and name HN ) 2.4 0.6 0.3" 277 1 277 71 rr_1hfg 2
9 "HN-HG (i=j)" 303 1 303 14 rr_1hfg 2
10 "assign (resid 46 and name HG2 ) (resid 46 and name HN ) 3.0 1.2 0.5" 327 1 327 71 rr_1hfg 2
11 "assign (resid 48 and name HG1 ) (resid 48 and name HN ) 4.0 2.2 1.0" 331 1 331 71 rr_1hfg 2
12 "assign (resid 49 and name HG2 ) (resid 49 and name HN ) 3.0 1.2 0.5" 337 1 337 71 rr_1hfg 2
13 "assign (resid 64 and name HG1 ) (resid 64 and name HN ) 4.0 2.2 1.0" 357 1 357 71 rr_1hfg 2
14 "HN-HD# (i=j)" 371 1 371 15 rr_1hfg 2
15 "assign (resid 24 and name HD2# ) (resid 24 and name HN ) 3.0 1.2 0.5" 383 1 383 71 rr_1hfg 2
16 "HN-HE (i=j)" 407 1 407 14 rr_1hfg 2
17 "Intraresidue side-chain-side-chain" 419 1 419 37 rr_1hfg 2
18 "assign (resid 6 and name HB2 ) (resid 6 and name HA ) 4.0 2.2 1.0" 433 1 433 71 rr_1hfg 2
19
;assign (resid 10 and name HB1 ) (resid 10 and name HA ) 3.0 1.2 0.5
assign (resid 10 and name HB2 ) (resid 10 and name HA ) 2.4 0.6 0.3
;
439 1 441 71 rr_1hfg 2
20
;assign (resid 28 and name HB1 ) (resid 28 and name HE3 ) 3.0 1.2 0.5
*** Could be an NOE to M63 HA
assign (resid 28 and name HB# ) (resid 28 and name HZ2 ) 4.0 2.2 1.5
assign (resid 28 and name HB2 ) (resid 28 and name HZ2 ) 4.0 2.2 1.0
;
535 1 543 71 rr_1hfg 2
21 "assign (resid 30 and name HG# ) (resid 30 and name HD2 ) 3.0 1.2 0.5" 573 1 573 71 rr_1hfg 2
22 "assign (resid 32 and name HB1 ) (resid 32 and name HB2 ) 2.4 0.6 0.3" 585 1 585 71 rr_1hfg 2
23 "assign (resid 38 and name HB1 ) (resid 38 and name HD2 ) 3.0 1.2 0.5" 617 1 617 71 rr_1hfg 2
24 "assign (resid 43 and name HD2# ) (resid 43 and name HA ) 3.0 1.2 0.5" 655 1 655 71 rr_1hfg 2
25 "assign (resid 58 and name HA ) (resid 58 and name HE3 ) 4.0 2.2 0.5" 753 1 753 71 rr_1hfg 2
26 "assign (resid 60 and name HB2 ) (resid 60 and name HA ) 3.0 1.2 0.5" 777 1 777 71 rr_1hfg 2
27
;assign (resid 65 and name HB1 ) (resid 65 and name HA ) 3.0 1.2 0.5
assign (resid 65 and name HB2 ) (resid 65 and name HA ) 2.4 0.6 0.3
;
809 1 811 71 rr_1hfg 2
28 "assign (resid 66 and name HD2# ) (resid 66 and name HA ) 2.4 0.6 0.3" 825 1 825 71 rr_1hfg 2
29
;assign (resid 68 and name HB ) (resid 68 and name HA ) 2.4 0.6 0.5
assign (resid 68 and name HG1# ) (resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HG2# ) (resid 68 and name HA ) 3.0 1.2 1.0
;
839 1 843 71 rr_1hfg 2
stop_
save_
save_CNS/XPLOR_distance_constraints_13_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_13_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 13
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 3
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_1hfg 3
1 2 . 3 . rr_1hfg 3
1 3 . . . rr_1hfg 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 1 1 6 6 HIS HB2 H . . . . 6 . HB# rr_1hfg 3
1 2 . 2 . 1 1 7 7 ARG H H . . . . 7 . HN rr_1hfg 3
1 3 . 1 . 1 1 6 6 HIS HB3 H . . . . 6 . HB# rr_1hfg 3
1 3 . 2 . 1 1 7 7 ARG H H . . . . 7 . HN rr_1hfg 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 3
1 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 3
stop_
save_
save_CNS/XPLOR_distance_constraints_15_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_15_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 7
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 15
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 4
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_1hfg 4
1 2 . 3 . rr_1hfg 4
1 3 . . . rr_1hfg 4
2 1 . . . rr_1hfg 4
3 1 . . . rr_1hfg 4
4 1 . . . rr_1hfg 4
5 1 2 . OR rr_1hfg 4
5 2 . 3 . rr_1hfg 4
5 3 . . . rr_1hfg 4
6 1 . . . rr_1hfg 4
7 1 . . . rr_1hfg 4
8 1 2 . OR rr_1hfg 4
8 2 . 3 . rr_1hfg 4
8 3 . . . rr_1hfg 4
9 1 2 . OR rr_1hfg 4
9 2 . 3 . rr_1hfg 4
9 3 . . . rr_1hfg 4
10 1 . . . rr_1hfg 4
11 1 . . . rr_1hfg 4
12 1 . . . rr_1hfg 4
13 1 . . . rr_1hfg 4
14 1 . . . rr_1hfg 4
15 1 . . . rr_1hfg 4
16 1 . . . rr_1hfg 4
17 1 . . . rr_1hfg 4
18 1 . . . rr_1hfg 4
19 1 . . . rr_1hfg 4
20 1 . . . rr_1hfg 4
21 1 . . . rr_1hfg 4
22 1 . . . rr_1hfg 4
23 1 . . . rr_1hfg 4
24 1 2 . OR rr_1hfg 4
24 2 . 3 . rr_1hfg 4
24 3 . . . rr_1hfg 4
25 1 2 . OR rr_1hfg 4
25 2 . 3 . rr_1hfg 4
25 3 . . . rr_1hfg 4
26 1 2 . OR rr_1hfg 4
26 2 . 3 . rr_1hfg 4
26 3 . . . rr_1hfg 4
27 1 . . . rr_1hfg 4
28 1 . . . rr_1hfg 4
29 1 2 . OR rr_1hfg 4
29 2 . 3 . rr_1hfg 4
29 3 . . . rr_1hfg 4
30 1 . . . rr_1hfg 4
31 1 . . . rr_1hfg 4
32 1 . . . rr_1hfg 4
33 1 . . . rr_1hfg 4
34 1 . . . rr_1hfg 4
35 1 2 . OR rr_1hfg 4
35 2 . 3 . rr_1hfg 4
35 3 . . . rr_1hfg 4
36 1 . . . rr_1hfg 4
37 1 . . . rr_1hfg 4
38 1 . . . rr_1hfg 4
39 1 . . . rr_1hfg 4
40 1 . . . rr_1hfg 4
41 1 . . . rr_1hfg 4
42 1 . . . rr_1hfg 4
43 1 . . . rr_1hfg 4
44 1 . . . rr_1hfg 4
45 1 2 . OR rr_1hfg 4
45 2 . 3 . rr_1hfg 4
45 3 . . . rr_1hfg 4
46 1 2 . OR rr_1hfg 4
46 2 . 3 . rr_1hfg 4
46 3 . . . rr_1hfg 4
47 1 2 . OR rr_1hfg 4
47 2 . 3 . rr_1hfg 4
47 3 . . . rr_1hfg 4
48 1 2 . OR rr_1hfg 4
48 2 . 3 . rr_1hfg 4
48 3 . . . rr_1hfg 4
49 1 . . . rr_1hfg 4
50 1 . . . rr_1hfg 4
51 1 . . . rr_1hfg 4
52 1 2 . OR rr_1hfg 4
52 2 . 3 . rr_1hfg 4
52 3 . . . rr_1hfg 4
53 1 . . . rr_1hfg 4
54 1 . . . rr_1hfg 4
55 1 . . . rr_1hfg 4
56 1 2 . OR rr_1hfg 4
56 2 . 3 . rr_1hfg 4
56 3 . . . rr_1hfg 4
57 1 . . . rr_1hfg 4
58 1 . . . rr_1hfg 4
59 1 . . . rr_1hfg 4
60 1 . . . rr_1hfg 4
61 1 2 . OR rr_1hfg 4
61 2 . 3 . rr_1hfg 4
61 3 . . . rr_1hfg 4
62 1 . . . rr_1hfg 4
63 1 . . . rr_1hfg 4
64 1 . . . rr_1hfg 4
65 1 2 . OR rr_1hfg 4
65 2 . 3 . rr_1hfg 4
65 3 . . . rr_1hfg 4
66 1 . . . rr_1hfg 4
67 1 . . . rr_1hfg 4
68 1 . . . rr_1hfg 4
69 1 . . . rr_1hfg 4
70 1 . . . rr_1hfg 4
71 1 . . . rr_1hfg 4
72 1 . . . rr_1hfg 4
73 1 . . . rr_1hfg 4
74 1 2 . OR rr_1hfg 4
74 2 . 3 . rr_1hfg 4
74 3 . . . rr_1hfg 4
75 1 . . . rr_1hfg 4
76 1 . . . rr_1hfg 4
77 1 2 . OR rr_1hfg 4
77 2 . 3 . rr_1hfg 4
77 3 . . . rr_1hfg 4
78 1 . . . rr_1hfg 4
79 1 2 . OR rr_1hfg 4
79 2 . 3 . rr_1hfg 4
79 3 . . . rr_1hfg 4
80 1 2 . OR rr_1hfg 4
80 2 . 3 . rr_1hfg 4
80 3 . . . rr_1hfg 4
81 1 2 . OR rr_1hfg 4
81 2 . 3 . rr_1hfg 4
81 3 . . . rr_1hfg 4
82 1 2 . OR rr_1hfg 4
82 2 . 3 . rr_1hfg 4
82 3 . . . rr_1hfg 4
83 1 . . . rr_1hfg 4
84 1 . . . rr_1hfg 4
85 1 . . . rr_1hfg 4
86 1 2 . OR rr_1hfg 4
86 2 . 3 . rr_1hfg 4
86 3 . . . rr_1hfg 4
87 1 . . . rr_1hfg 4
88 1 . . . rr_1hfg 4
89 1 . . . rr_1hfg 4
90 1 . . . rr_1hfg 4
91 1 . . . rr_1hfg 4
92 1 . . . rr_1hfg 4
93 1 . . . rr_1hfg 4
94 1 . . . rr_1hfg 4
95 1 2 . OR rr_1hfg 4
95 2 . 3 . rr_1hfg 4
95 3 . . . rr_1hfg 4
96 1 2 . OR rr_1hfg 4
96 2 . 3 . rr_1hfg 4
96 3 . . . rr_1hfg 4
97 1 2 . OR rr_1hfg 4
97 2 . 3 . rr_1hfg 4
97 3 . . . rr_1hfg 4
98 1 . . . rr_1hfg 4
99 1 . . . rr_1hfg 4
100 1 . . . rr_1hfg 4
101 1 . . . rr_1hfg 4
102 1 2 . OR rr_1hfg 4
102 2 . 3 . rr_1hfg 4
102 3 . . . rr_1hfg 4
103 1 . . . rr_1hfg 4
104 1 . . . rr_1hfg 4
105 1 . . . rr_1hfg 4
106 1 . . . rr_1hfg 4
107 1 . . . rr_1hfg 4
108 1 . . . rr_1hfg 4
109 1 . . . rr_1hfg 4
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 1 1 9 9 ASP HB2 H . . . . 9 . HB# rr_1hfg 4
1 2 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1hfg 4
1 3 . 1 . 1 1 9 9 ASP HB3 H . . . . 9 . HB# rr_1hfg 4
1 3 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1hfg 4
2 1 . 1 . 1 1 10 10 LYS HB3 H . . . . 10 . HB1 rr_1hfg 4
2 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1hfg 4
3 1 . 1 . 1 1 10 10 LYS HB2 H . . . . 10 . HB2 rr_1hfg 4
3 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1hfg 4
4 1 . 1 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1hfg 4
4 1 . 2 . 1 1 12 12 CYS H H . . . . 12 . HN rr_1hfg 4
5 2 . 1 . 1 1 13 13 LEU HB2 H . . . . 13 . HB# rr_1hfg 4
5 2 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 4
5 3 . 1 . 1 1 13 13 LEU HB3 H . . . . 13 . HB# rr_1hfg 4
5 3 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 4
6 1 . 1 . 1 1 15 15 TYR HB3 H . . . . 15 . HB1 rr_1hfg 4
6 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 4
7 1 . 1 . 1 1 15 15 TYR HB2 H . . . . 15 . HB2 rr_1hfg 4
7 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 4
8 2 . 1 . 1 1 16 16 GLN HB3 H . . . . 16 . HB# rr_1hfg 4
8 2 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 4
8 3 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB# rr_1hfg 4
8 3 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 4
9 2 . 1 . 1 1 19 19 PRO HB2 H . . . . 19 . HB# rr_1hfg 4
9 2 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 4
9 3 . 1 . 1 1 19 19 PRO HB3 H . . . . 19 . HB# rr_1hfg 4
9 3 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 4
10 1 . 1 . 1 1 21 21 PRO HB2 H . . . . 21 . HB2 rr_1hfg 4
10 1 . 2 . 1 1 22 22 GLN H H . . . . 22 . HN rr_1hfg 4
11 1 . 1 . 1 1 21 21 PRO HB3 H . . . . 21 . HB1 rr_1hfg 4
11 1 . 2 . 1 1 22 22 GLN H H . . . . 22 . HN rr_1hfg 4
12 1 . 1 . 1 1 22 22 GLN HB3 H . . . . 22 . HB1 rr_1hfg 4
12 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 4
13 1 . 1 . 1 1 23 23 VAL HB H . . . . 23 . HB rr_1hfg 4
13 1 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 4
14 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1hfg 4
14 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 4
15 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1hfg 4
15 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 4
16 1 . 1 . 1 1 26 26 SER HB3 H . . . . 26 . HB1 rr_1hfg 4
16 1 . 2 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 4
17 1 . 1 . 1 1 26 26 SER HB2 H . . . . 26 . HB2 rr_1hfg 4
17 1 . 2 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 4
18 1 . 1 . 1 1 27 27 SER HB3 H . . . . 27 . HB1 rr_1hfg 4
18 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 4
19 1 . 1 . 1 1 27 27 SER HB2 H . . . . 27 . HB2 rr_1hfg 4
19 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 4
20 1 . 1 . 1 1 28 28 TRP HB3 H . . . . 28 . HB1 rr_1hfg 4
20 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 4
21 1 . 1 . 1 1 28 28 TRP HB2 H . . . . 28 . HB2 rr_1hfg 4
21 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 4
22 1 . 1 . 1 1 30 30 PRO HB3 H . . . . 30 . HB1 rr_1hfg 4
22 1 . 2 . 1 1 31 31 THR H H . . . . 31 . HN rr_1hfg 4
23 1 . 1 . 1 1 31 31 THR HB H . . . . 31 . HB rr_1hfg 4
23 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1hfg 4
24 2 . 1 . 1 1 32 32 SER HB2 H . . . . 32 . HB# rr_1hfg 4
24 2 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 4
24 3 . 1 . 1 1 32 32 SER HB3 H . . . . 32 . HB# rr_1hfg 4
24 3 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 4
25 2 . 1 . 1 1 33 33 GLN HB3 H . . . . 33 . HB# rr_1hfg 4
25 2 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 4
25 3 . 1 . 1 1 33 33 GLN HB2 H . . . . 33 . HB# rr_1hfg 4
25 3 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 4
26 2 . 1 . 1 1 34 34 LEU HB2 H . . . . 34 . HB# rr_1hfg 4
26 2 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 4
26 3 . 1 . 1 1 34 34 LEU HB3 H . . . . 34 . HB# rr_1hfg 4
26 3 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 4
27 1 . 1 . 1 1 35 35 CYS HB2 H . . . . 35 . HB2 rr_1hfg 4
27 1 . 2 . 1 1 36 36 SER H H . . . . 36 . HN rr_1hfg 4
28 1 . 1 . 1 1 35 35 CYS HB3 H . . . . 35 . HB1 rr_1hfg 4
28 1 . 2 . 1 1 36 36 SER H H . . . . 36 . HN rr_1hfg 4
29 2 . 1 . 1 1 36 36 SER HB2 H . . . . 36 . HB# rr_1hfg 4
29 2 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 4
29 3 . 1 . 1 1 36 36 SER HB3 H . . . . 36 . HB# rr_1hfg 4
29 3 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 4
30 1 . 1 . 1 1 38 38 PRO HB2 H . . . . 38 . HB2 rr_1hfg 4
30 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1hfg 4
31 1 . 1 . 1 1 38 38 PRO HB3 H . . . . 38 . HB1 rr_1hfg 4
31 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1hfg 4
32 1 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 4
32 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 4
33 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 4
33 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 4
34 1 . 1 . 1 1 42 42 PHE HB3 H . . . . 42 . HB1 rr_1hfg 4
34 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 4
35 2 . 1 . 1 1 43 43 LEU HB2 H . . . . 43 . HB# rr_1hfg 4
35 2 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 4
35 3 . 1 . 1 1 43 43 LEU HB3 H . . . . 43 . HB# rr_1hfg 4
35 3 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 4
36 1 . 1 . 1 1 44 44 THR HB H . . . . 44 . HB rr_1hfg 4
36 1 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 4
37 1 . 1 . 1 1 46 46 ARG HB3 H . . . . 46 . HB1 rr_1hfg 4
37 1 . 2 . 1 1 47 47 GLY H H . . . . 47 . HN rr_1hfg 4
38 1 . 1 . 1 1 48 48 ARG HB2 H . . . . 48 . HB2 rr_1hfg 4
38 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 4
39 1 . 1 . 1 1 49 49 GLN HB3 H . . . . 49 . HB1 rr_1hfg 4
39 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 4
40 1 . 1 . 1 1 51 51 CYS HB3 H . . . . 51 . HB1 rr_1hfg 4
40 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 4
41 1 . 1 . 1 1 51 51 CYS HB2 H . . . . 51 . HB2 rr_1hfg 4
41 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 4
42 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 4
42 1 . 2 . 1 1 53 53 ASP H H . . . . 53 . HN rr_1hfg 4
43 1 . 1 . 1 1 54 54 LYS HB3 H . . . . 54 . HB1 rr_1hfg 4
43 1 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 4
44 1 . 1 . 1 1 54 54 LYS HB2 H . . . . 54 . HB2 rr_1hfg 4
44 1 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 4
45 2 . 1 . 1 1 56 56 LYS HB2 H . . . . 56 . HB# rr_1hfg 4
45 2 . 2 . 1 1 57 57 ASP H H . . . . 57 . HN rr_1hfg 4
45 3 . 1 . 1 1 56 56 LYS HB3 H . . . . 56 . HB# rr_1hfg 4
45 3 . 2 . 1 1 57 57 ASP H H . . . . 57 . HN rr_1hfg 4
46 2 . 1 . 1 1 57 57 ASP HB2 H . . . . 57 . HB# rr_1hfg 4
46 2 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 4
46 3 . 1 . 1 1 57 57 ASP HB3 H . . . . 57 . HB# rr_1hfg 4
46 3 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 4
47 2 . 1 . 1 1 60 60 LYS HB2 H . . . . 60 . HB# rr_1hfg 4
47 2 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 4
47 3 . 1 . 1 1 60 60 LYS HB3 H . . . . 60 . HB# rr_1hfg 4
47 3 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 4
48 2 . 1 . 1 1 61 61 LYS HB2 H . . . . 61 . HB# rr_1hfg 4
48 2 . 2 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 4
48 3 . 1 . 1 1 61 61 LYS HB3 H . . . . 61 . HB# rr_1hfg 4
48 3 . 2 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 4
49 1 . 1 . 1 1 62 62 LEU HB3 H . . . . 62 . HB1 rr_1hfg 4
49 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 4
50 1 . 1 . 1 1 63 63 MET HB3 H . . . . 63 . HB1 rr_1hfg 4
50 1 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 4
51 1 . 1 . 1 1 63 63 MET HB2 H . . . . 63 . HB2 rr_1hfg 4
51 1 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 4
52 2 . 1 . 1 1 65 65 GLN HB3 H . . . . 65 . HB# rr_1hfg 4
52 2 . 2 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 4
52 3 . 1 . 1 1 65 65 GLN HB2 H . . . . 65 . HB# rr_1hfg 4
52 3 . 2 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 4
53 1 . 1 . 1 1 67 67 PRO HB2 H . . . . 67 . HB2 rr_1hfg 4
53 1 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 4
54 1 . 1 . 1 1 67 67 PRO HB3 H . . . . 67 . HB1 rr_1hfg 4
54 1 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 4
55 1 . 1 . 1 1 68 68 VAL HB H . . . . 68 . HB rr_1hfg 4
55 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 4
56 2 . 1 . 1 1 8 8 PRO HG2 H . . . . 8 . HG# rr_1hfg 4
56 2 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_1hfg 4
56 3 . 1 . 1 1 8 8 PRO HG3 H . . . . 8 . HG# rr_1hfg 4
56 3 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_1hfg 4
57 1 . 1 . 1 1 23 23 VAL MG1 H . . . . 23 . HG1# rr_1hfg 4
57 1 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 4
58 1 . 1 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 4
58 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1hfg 4
59 1 . 1 . 1 1 40 40 VAL MG2 H . . . . 40 . HG2# rr_1hfg 4
59 1 . 2 . 1 1 41 41 ILE H H . . . . 41 . HN rr_1hfg 4
60 1 . 1 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 4
60 1 . 2 . 1 1 41 41 ILE H H . . . . 41 . HN rr_1hfg 4
61 2 . 1 . 1 1 41 41 ILE HG12 H . . . . 41 . HG1# rr_1hfg 4
61 2 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 4
61 3 . 1 . 1 1 41 41 ILE HG13 H . . . . 41 . HG1# rr_1hfg 4
61 3 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 4
62 1 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 4
62 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 4
63 1 . 1 . 1 1 48 48 ARG HG3 H . . . . 48 . HG1 rr_1hfg 4
63 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 4
64 1 . 1 . 1 1 48 48 ARG HG2 H . . . . 48 . HG2 rr_1hfg 4
64 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 4
65 2 . 1 . 1 1 49 49 GLN HG3 H . . . . 49 . HG# rr_1hfg 4
65 2 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 4
65 3 . 1 . 1 1 49 49 GLN HG2 H . . . . 49 . HG# rr_1hfg 4
65 3 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 4
66 1 . 1 . 1 1 50 50 VAL MG2 H . . . . 50 . HG2# rr_1hfg 4
66 1 . 2 . 1 1 51 51 CYS H H . . . . 51 . HN rr_1hfg 4
67 1 . 1 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 4
67 1 . 2 . 1 1 51 51 CYS H H . . . . 51 . HN rr_1hfg 4
68 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 4
68 1 . 2 . 1 1 58 58 TRP HE1 H . . . . 58 . HE1 rr_1hfg 4
69 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 4
69 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 4
70 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 4
70 1 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 4
71 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 4
71 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 4
72 1 . 1 . 1 1 59 59 VAL MG1 H . . . . 59 . HG1# rr_1hfg 4
72 1 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 4
73 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 4
73 1 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 4
74 2 . 1 . 1 1 67 67 PRO HG2 H . . . . 67 . HG# rr_1hfg 4
74 2 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 4
74 3 . 1 . 1 1 67 67 PRO HG3 H . . . . 67 . HG# rr_1hfg 4
74 3 . 2 . 1 1 68 68 VAL H H . . . . 68 . HN rr_1hfg 4
75 1 . 1 . 1 1 68 68 VAL MG1 H . . . . 68 . HG1# rr_1hfg 4
75 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 4
76 1 . 1 . 1 1 68 68 VAL MG2 H . . . . 68 . HG2# rr_1hfg 4
76 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 4
77 2 . 1 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 4
77 2 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 4
77 3 . 1 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 4
77 3 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 4
78 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 4
78 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 4
79 2 . 1 . 1 1 34 34 LEU MD2 H . . . . 34 . HD# rr_1hfg 4
79 2 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 4
79 3 . 1 . 1 1 34 34 LEU MD1 H . . . . 34 . HD# rr_1hfg 4
79 3 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 4
80 2 . 1 . 1 1 38 38 PRO HD2 H . . . . 38 . HD# rr_1hfg 4
80 2 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 4
80 3 . 1 . 1 1 38 38 PRO HD3 H . . . . 38 . HD# rr_1hfg 4
80 3 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 4
81 2 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD# rr_1hfg 4
81 2 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 4
81 3 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD# rr_1hfg 4
81 3 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 4
82 2 . 1 . 1 1 54 54 LYS HD2 H . . . . 54 . HD# rr_1hfg 4
82 2 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 4
82 3 . 1 . 1 1 54 54 LYS HD3 H . . . . 54 . HD# rr_1hfg 4
82 3 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 4
83 1 . 1 . 1 1 62 62 LEU MD1 H . . . . 62 . HD1# rr_1hfg 4
83 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 4
84 1 . 1 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 4
84 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 4
85 1 . 1 . 1 1 6 6 HIS HA H . . . . 6 . HA rr_1hfg 4
85 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 5 . HE3 rr_1hfg 4
86 2 . 1 . 1 1 8 8 PRO HD2 H . . . . 8 . HD# rr_1hfg 4
86 2 . 2 . 1 1 7 7 ARG HA H . . . . 7 . HA rr_1hfg 4
86 3 . 1 . 1 1 8 8 PRO HD3 H . . . . 8 . HD# rr_1hfg 4
86 3 . 2 . 1 1 7 7 ARG HA H . . . . 7 . HA rr_1hfg 4
87 1 . 1 . 1 1 19 19 PRO HD3 H . . . . 19 . HD1 rr_1hfg 4
87 1 . 2 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1hfg 4
88 1 . 1 . 1 1 19 19 PRO HD2 H . . . . 19 . HD2 rr_1hfg 4
88 1 . 2 . 1 1 18 18 ARG HA H . . . . 18 . HA rr_1hfg 4
89 1 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB1 rr_1hfg 4
89 1 . 2 . 1 1 21 21 PRO HD3 H . . . . 21 . HD1 rr_1hfg 4
90 1 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB1 rr_1hfg 4
90 1 . 2 . 1 1 21 21 PRO HD2 H . . . . 21 . HD2 rr_1hfg 4
91 1 . 1 . 1 1 21 21 PRO HD3 H . . . . 21 . HD1 rr_1hfg 4
91 1 . 2 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1hfg 4
92 1 . 1 . 1 1 21 21 PRO HD2 H . . . . 21 . HD2 rr_1hfg 4
92 1 . 2 . 1 1 20 20 LEU HA H . . . . 20 . HA rr_1hfg 4
93 1 . 1 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 4
93 1 . 2 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 4
94 1 . 1 . 1 1 28 28 TRP HE3 H . . . . 28 . HE3 rr_1hfg 4
94 1 . 2 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 4
95 2 . 1 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 4
95 2 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD# rr_1hfg 4
95 3 . 1 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 4
95 3 . 2 . 1 1 29 29 TYR HD2 H . . . . 29 . HD# rr_1hfg 4
96 2 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 4
96 2 . 2 . 1 1 30 30 PRO HD3 H . . . . 30 . HD# rr_1hfg 4
96 3 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 4
96 3 . 2 . 1 1 30 30 PRO HD2 H . . . . 30 . HD# rr_1hfg 4
97 2 . 1 . 1 1 29 29 TYR HB2 H . . . . 29 . HB2 rr_1hfg 4
97 2 . 2 . 1 1 30 30 PRO HD3 H . . . . 30 . HD# rr_1hfg 4
97 3 . 1 . 1 1 29 29 TYR HB2 H . . . . 29 . HB2 rr_1hfg 4
97 3 . 2 . 1 1 30 30 PRO HD2 H . . . . 30 . HD# rr_1hfg 4
98 1 . 1 . 1 1 30 30 PRO HD3 H . . . . 30 . HD1 rr_1hfg 4
98 1 . 2 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 4
99 1 . 1 . 1 1 30 30 PRO HD2 H . . . . 30 . HD2 rr_1hfg 4
99 1 . 2 . 1 1 29 29 TYR HA H . . . . 29 . HA rr_1hfg 4
100 1 . 1 . 1 1 42 42 PHE QD H . . . . 42 . HD# rr_1hfg 4
100 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 4
101 1 . 1 . 1 1 44 44 THR MG H . . . . 44 . HG2# rr_1hfg 4
101 1 . 2 . 1 1 43 43 LEU HA H . . . . 43 . HA rr_1hfg 4
102 2 . 1 . 1 1 45 45 LYS HD2 H . . . . 45 . HD# rr_1hfg 4
102 2 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 4
102 3 . 1 . 1 1 45 45 LYS HD3 H . . . . 45 . HD# rr_1hfg 4
102 3 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 4
103 1 . 1 . 1 1 50 50 VAL MG2 H . . . . 50 . HG2# rr_1hfg 4
103 1 . 2 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 4
104 1 . 1 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 4
104 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 4
105 1 . 1 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 4
105 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 4
106 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 4
106 1 . 2 . 1 1 67 67 PRO HD3 H . . . . 67 . HD1 rr_1hfg 4
107 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 4
107 1 . 2 . 1 1 67 67 PRO HD2 H . . . . 67 . HD2 rr_1hfg 4
108 1 . 1 . 1 1 67 67 PRO HD3 H . . . . 67 . HD1 rr_1hfg 4
108 1 . 2 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 4
109 1 . 1 . 1 1 67 67 PRO HD2 H . . . . 67 . HD2 rr_1hfg 4
109 1 . 2 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 4
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
1 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
2 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
3 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
4 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
5 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 4
5 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 4
6 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
7 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
8 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 4
8 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 4
9 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
9 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
10 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
11 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
12 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
13 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
14 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
15 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
16 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
17 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
18 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
19 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
20 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
21 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
22 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
23 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
24 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
24 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
25 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
25 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
26 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
26 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
27 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
28 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
29 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
29 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
30 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
31 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
32 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
33 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
34 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
35 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
35 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
36 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
37 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
38 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
39 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
40 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
41 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
42 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
43 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
44 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
45 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
45 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
46 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
46 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
47 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
47 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
48 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 4
48 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 4
49 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
50 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
51 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
52 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
52 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
53 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 4
54 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
55 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
56 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
56 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
57 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
58 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
59 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
60 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
61 2 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
61 3 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
62 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
63 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
64 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
65 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
65 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
66 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
67 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
68 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
69 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
70 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
71 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
72 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
73 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
74 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
74 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
75 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
76 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 4
77 2 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
77 3 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
78 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
79 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
79 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
80 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
80 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
81 2 . . . . . . 5.0 1.8 7.5 rr_1hfg 4
81 3 . . . . . . 5.0 1.8 7.5 rr_1hfg 4
82 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
82 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
83 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
84 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 4
85 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
86 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
86 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
87 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 4
88 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 4
89 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
90 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
91 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
92 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
93 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
94 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
95 2 . . . . . . 4.0 1.8 6.8 rr_1hfg 4
95 3 . . . . . . 4.0 1.8 6.8 rr_1hfg 4
96 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
96 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
97 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
97 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 4
98 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
99 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
100 1 . . . . . . 5.0 1.8 7.5 rr_1hfg 4
101 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 4
102 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
102 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 4
103 1 . . . . . . 4.0 2.8 5.0 rr_1hfg 4
104 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
105 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 4
106 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
107 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
108 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
109 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 4
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "assign (resid 19 and name HB1 ) (resid 20 and name HN ) 3.0 1.2 0.5" 19 1 19 71 rr_1hfg 4
2 "assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.0 2.2 1.0" 55 1 55 71 rr_1hfg 4
3 "assign (resid 33 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 1.0" 61 1 61 71 rr_1hfg 4
4 "assign (resid 43 and name HB1 ) (resid 44 and name HN ) 3.0 1.2 0.5" 87 1 87 71 rr_1hfg 4
5 "assign (resid 54 and name HB1 ) (resid 55 and name HN ) 3.0 1.2 0.5" 111 1 111 71 rr_1hfg 4
6 "assign (resid 65 and name HB2 ) (resid 66 and name HN ) 3.0 1.2 0.5" 135 1 135 71 rr_1hfg 4
7 HG(i)-HN(i+1) 147 1 147 16 rr_1hfg 4
8 "assign (resid 8 and name HG1 ) (resid 9 and name HN ) 4.0 2.2 1.0" 153 1 153 71 rr_1hfg 4
9 "assign (resid 59 and name HG2# ) (resid 58 and name HD1 ) 3.0 1.2 1.0" 179 1 179 71 rr_1hfg 4
10 HD(i)-HN(i+1) 201 1 201 16 rr_1hfg 4
11 "assign (resid 24 and name HD2# ) (resid 25 and name HN ) 3.0 1.2 0.5" 207 1 207 71 rr_1hfg 4
12 "assign (resid 34 and name HD1# ) (resid 35 and name HN ) 4.0 2.2 1.0" 213 1 213 71 rr_1hfg 4
13 "assign (resid 38 and name HD2 ) (resid 37 and name HN ) 4.0 2.2 1.0" 217 1 217 71 rr_1hfg 4
14 "Other sequential" 231 1 231 19 rr_1hfg 4
15
;assign (resid 8 and name HD1 ) (resid 7 and name HA ) 3.0 1.2 0.5
assign (resid 14 and name HA# ) (resid 15 and name HD# ) 4.0 2.2 2.0
;
239 1 241 71 rr_1hfg 4
16 "assign (resid 21 and name HD2 ) (resid 20 and name HA ) 2.4 0.6 0.3" 257 1 257 71 rr_1hfg 4
17
;assign (resid 29 and name HB1 ) (resid 30 and name HD2 ) 3.0 1.2 0.5
assign (resid 29 and name HB2 ) (resid 30 and name HD2 ) 3.0 1.2 0.5
;
271 1 273 71 rr_1hfg 4
18 "assign (resid 67 and name HD1 ) (resid 66 and name HA ) 2.4 0.6 0.3" 297 1 297 71 rr_1hfg 4
stop_
save_
save_CNS/XPLOR_distance_constraints_9_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_9_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 9
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 5
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1hfg 5
2 1 . . . rr_1hfg 5
3 1 . . . rr_1hfg 5
4 1 . . . rr_1hfg 5
5 1 . . . rr_1hfg 5
6 1 . . . rr_1hfg 5
7 1 . . . rr_1hfg 5
8 1 . . . rr_1hfg 5
9 1 . . . rr_1hfg 5
10 1 . . . rr_1hfg 5
11 1 . . . rr_1hfg 5
12 1 . . . rr_1hfg 5
13 1 . . . rr_1hfg 5
14 1 2 . OR rr_1hfg 5
14 2 . 3 . rr_1hfg 5
14 3 . . . rr_1hfg 5
15 1 2 . OR rr_1hfg 5
15 2 . 3 . rr_1hfg 5
15 3 . . . rr_1hfg 5
16 1 . . . rr_1hfg 5
17 1 . . . rr_1hfg 5
18 1 2 . OR rr_1hfg 5
18 2 . 3 . rr_1hfg 5
18 3 . . . rr_1hfg 5
19 1 2 . OR rr_1hfg 5
19 2 . 3 . rr_1hfg 5
19 3 . . . rr_1hfg 5
20 1 2 . OR rr_1hfg 5
20 2 . 3 . rr_1hfg 5
20 3 . . . rr_1hfg 5
21 1 2 . OR rr_1hfg 5
21 2 . 3 . rr_1hfg 5
21 3 . . . rr_1hfg 5
22 1 . . . rr_1hfg 5
23 1 . . . rr_1hfg 5
24 1 2 . OR rr_1hfg 5
24 2 . 3 . rr_1hfg 5
24 3 . . . rr_1hfg 5
25 1 2 . OR rr_1hfg 5
25 2 . 3 . rr_1hfg 5
25 3 . . . rr_1hfg 5
26 1 2 . OR rr_1hfg 5
26 2 . 3 . rr_1hfg 5
26 3 . . . rr_1hfg 5
27 1 2 . OR rr_1hfg 5
27 2 . 3 . rr_1hfg 5
27 3 . . . rr_1hfg 5
28 1 . . . rr_1hfg 5
29 1 . . . rr_1hfg 5
30 1 . . . rr_1hfg 5
31 1 2 . OR rr_1hfg 5
31 2 . 3 . rr_1hfg 5
31 3 . . . rr_1hfg 5
32 1 2 . OR rr_1hfg 5
32 2 . 3 . rr_1hfg 5
32 3 . . . rr_1hfg 5
33 1 . . . rr_1hfg 5
34 1 . . . rr_1hfg 5
35 1 2 . OR rr_1hfg 5
35 2 . 3 . rr_1hfg 5
35 3 . . . rr_1hfg 5
36 1 2 . OR rr_1hfg 5
36 2 . 3 . rr_1hfg 5
36 3 . . . rr_1hfg 5
37 1 . . . rr_1hfg 5
38 1 . . . rr_1hfg 5
39 1 . . . rr_1hfg 5
40 1 . . . rr_1hfg 5
41 1 . . . rr_1hfg 5
42 1 . . . rr_1hfg 5
43 1 . . . rr_1hfg 5
44 1 2 . OR rr_1hfg 5
44 2 . 3 . rr_1hfg 5
44 3 . . . rr_1hfg 5
45 1 2 . OR rr_1hfg 5
45 2 . 3 . rr_1hfg 5
45 3 . . . rr_1hfg 5
46 1 2 . OR rr_1hfg 5
46 2 . 3 . rr_1hfg 5
46 3 . . . rr_1hfg 5
47 1 2 . OR rr_1hfg 5
47 2 . 3 . rr_1hfg 5
47 3 . . . rr_1hfg 5
48 1 . . . rr_1hfg 5
49 1 . . . rr_1hfg 5
50 1 . . . rr_1hfg 5
51 1 . . . rr_1hfg 5
52 1 . . . rr_1hfg 5
53 1 2 . OR rr_1hfg 5
53 2 . 3 . rr_1hfg 5
53 3 . 4 . rr_1hfg 5
53 4 . 5 . rr_1hfg 5
53 5 . . . rr_1hfg 5
54 1 2 . OR rr_1hfg 5
54 2 . 3 . rr_1hfg 5
54 3 . . . rr_1hfg 5
55 1 . . . rr_1hfg 5
56 1 2 . OR rr_1hfg 5
56 2 . 3 . rr_1hfg 5
56 3 . . . rr_1hfg 5
57 1 . . . rr_1hfg 5
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 12 12 CYS HA H . . . . 12 . HA rr_1hfg 5
1 1 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 5
2 1 . 1 . 1 1 21 21 PRO HA H . . . . 21 . HA rr_1hfg 5
2 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 5
3 1 . 1 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 5
3 1 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 5
4 1 . 1 . 1 1 23 23 VAL HA H . . . . 23 . HA rr_1hfg 5
4 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 5
5 1 . 1 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 5
5 1 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 5
6 1 . 1 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 5
6 1 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 5
7 1 . 1 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 5
7 1 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 5
8 1 . 1 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 5
8 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 5
9 1 . 1 . 1 1 61 61 LYS HA H . . . . 61 . HA rr_1hfg 5
9 1 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 5
10 1 . 1 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 5
10 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 5
11 1 . 1 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 5
11 1 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 5
12 1 . 1 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 5
12 1 . 2 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 5
13 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 5
13 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 5
14 2 . 1 . 1 1 32 32 SER HB2 H . . . . 32 . HB# rr_1hfg 5
14 2 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 5
14 3 . 1 . 1 1 32 32 SER HB3 H . . . . 32 . HB# rr_1hfg 5
14 3 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 5
15 2 . 1 . 1 1 32 32 SER HB2 H . . . . 32 . HB# rr_1hfg 5
15 2 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 5
15 3 . 1 . 1 1 32 32 SER HB3 H . . . . 32 . HB# rr_1hfg 5
15 3 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 5
16 1 . 1 . 1 1 35 35 CYS HB2 H . . . . 35 . HB2 rr_1hfg 5
16 1 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 5
17 1 . 1 . 1 1 35 35 CYS HB3 H . . . . 35 . HB1 rr_1hfg 5
17 1 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 5
18 2 . 1 . 1 1 56 56 LYS HB2 H . . . . 56 . HB# rr_1hfg 5
18 2 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 5
18 3 . 1 . 1 1 56 56 LYS HB3 H . . . . 56 . HB# rr_1hfg 5
18 3 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 5
19 2 . 1 . 1 1 56 56 LYS HB2 H . . . . 56 . HB# rr_1hfg 5
19 2 . 2 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 5
19 3 . 1 . 1 1 56 56 LYS HB3 H . . . . 56 . HB# rr_1hfg 5
19 3 . 2 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 5
20 2 . 1 . 1 1 56 56 LYS HB2 H . . . . 56 . HB# rr_1hfg 5
20 2 . 2 . 1 1 58 58 TRP HE1 H . . . . 58 . HE1 rr_1hfg 5
20 3 . 1 . 1 1 56 56 LYS HB3 H . . . . 56 . HB# rr_1hfg 5
20 3 . 2 . 1 1 58 58 TRP HE1 H . . . . 58 . HE1 rr_1hfg 5
21 2 . 1 . 1 1 60 60 LYS HB2 H . . . . 60 . HB# rr_1hfg 5
21 2 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 5
21 3 . 1 . 1 1 60 60 LYS HB3 H . . . . 60 . HB# rr_1hfg 5
21 3 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 5
22 1 . 1 . 1 1 16 16 GLN HE21 H . . . . 16 . HE21 rr_1hfg 5
22 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 5
23 1 . 1 . 1 1 16 16 GLN HE22 H . . . . 16 . HE22 rr_1hfg 5
23 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 5
24 2 . 1 . 1 1 21 21 PRO HB2 H . . . . 21 . HB# rr_1hfg 5
24 2 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 5
24 3 . 1 . 1 1 21 21 PRO HB3 H . . . . 21 . HB# rr_1hfg 5
24 3 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 5
25 2 . 1 . 1 1 21 21 PRO HG2 H . . . . 21 . HG# rr_1hfg 5
25 2 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 5
25 3 . 1 . 1 1 21 21 PRO HG3 H . . . . 21 . HG# rr_1hfg 5
25 3 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 5
26 2 . 1 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 5
26 2 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 5
26 3 . 1 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 5
26 3 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 5
27 2 . 1 . 1 1 16 16 GLN HG2 H . . . . 16 . HG# rr_1hfg 5
27 2 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 5
27 3 . 1 . 1 1 16 16 GLN HG3 H . . . . 16 . HG# rr_1hfg 5
27 3 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 5
28 1 . 1 . 1 1 44 44 THR MG H . . . . 44 . HG2# rr_1hfg 5
28 1 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 5
29 1 . 1 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 5
29 1 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 5
30 1 . 1 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 5
30 1 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 5
31 2 . 1 . 1 1 60 60 LYS HB2 H . . . . 60 . HB# rr_1hfg 5
31 2 . 2 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 5
31 3 . 1 . 1 1 60 60 LYS HB3 H . . . . 60 . HB# rr_1hfg 5
31 3 . 2 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 5
32 2 . 1 . 1 1 61 61 LYS HB2 H . . . . 61 . HB# rr_1hfg 5
32 2 . 2 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 5
32 3 . 1 . 1 1 61 61 LYS HB3 H . . . . 61 . HB# rr_1hfg 5
32 3 . 2 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 5
33 1 . 1 . 1 1 62 62 LEU HB3 H . . . . 62 . HB1 rr_1hfg 5
33 1 . 2 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 5
34 1 . 1 . 1 1 62 62 LEU HB2 H . . . . 62 . HB2 rr_1hfg 5
34 1 . 2 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 5
35 2 . 1 . 1 1 63 63 MET HB2 H . . . . 63 . HB# rr_1hfg 5
35 2 . 2 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 5
35 3 . 1 . 1 1 63 63 MET HB3 H . . . . 63 . HB# rr_1hfg 5
35 3 . 2 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 5
36 2 . 1 . 1 1 64 64 GLN HB2 H . . . . 64 . HB# rr_1hfg 5
36 2 . 2 . 1 1 61 61 LYS HA H . . . . 61 . HA rr_1hfg 5
36 3 . 1 . 1 1 64 64 GLN HB3 H . . . . 64 . HB# rr_1hfg 5
36 3 . 2 . 1 1 61 61 LYS HA H . . . . 61 . HA rr_1hfg 5
37 1 . 1 . 1 1 65 65 GLN HB3 H . . . . 65 . HB1 rr_1hfg 5
37 1 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 5
38 1 . 1 . 1 1 65 65 GLN HB2 H . . . . 65 . HB2 rr_1hfg 5
38 1 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 5
39 1 . 1 . 1 1 66 66 LEU HB2 H . . . . 66 . HB2 rr_1hfg 5
39 1 . 2 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 5
40 1 . 1 . 1 1 31 31 THR HA H . . . . 31 . HA rr_1hfg 5
40 1 . 2 . 1 1 29 29 TYR HD1 H . . . . 29 . HD1 rr_1hfg 5
41 1 . 1 . 1 1 31 31 THR HA H . . . . 31 . HA rr_1hfg 5
41 1 . 2 . 1 1 29 29 TYR HE1 H . . . . 29 . HE1 rr_1hfg 5
42 1 . 1 . 1 1 21 21 PRO HB2 H . . . . 21 . HB2 rr_1hfg 5
42 1 . 2 . 1 1 23 23 VAL MG1 H . . . . 23 . HG1# rr_1hfg 5
43 1 . 1 . 1 1 21 21 PRO HB2 H . . . . 21 . HB2 rr_1hfg 5
43 1 . 2 . 1 1 23 23 VAL MG2 H . . . . 23 . HG2# rr_1hfg 5
44 2 . 1 . 1 1 53 53 ASP HB2 H . . . . 53 . HB2 rr_1hfg 5
44 2 . 2 . 1 1 56 56 LYS HG2 H . . . . 56 . HG# rr_1hfg 5
44 3 . 1 . 1 1 53 53 ASP HB2 H . . . . 53 . HB2 rr_1hfg 5
44 3 . 2 . 1 1 56 56 LYS HG3 H . . . . 56 . HG# rr_1hfg 5
45 2 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 5
45 2 . 2 . 1 1 56 56 LYS HB2 H . . . . 56 . HB# rr_1hfg 5
45 3 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 5
45 3 . 2 . 1 1 56 56 LYS HB3 H . . . . 56 . HB# rr_1hfg 5
46 2 . 1 . 1 1 60 60 LYS HD2 H . . . . 60 . HD# rr_1hfg 5
46 2 . 2 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 5
46 3 . 1 . 1 1 60 60 LYS HD3 H . . . . 60 . HD# rr_1hfg 5
46 3 . 2 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 5
47 2 . 1 . 1 1 63 63 MET HG3 H . . . . 63 . HG# rr_1hfg 5
47 2 . 2 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 5
47 3 . 1 . 1 1 63 63 MET HG2 H . . . . 63 . HG# rr_1hfg 5
47 3 . 2 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 5
48 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1hfg 5
48 1 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 5
49 1 . 1 . 1 1 62 62 LEU MD1 H . . . . 62 . HD1# rr_1hfg 5
49 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 5
50 1 . 1 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 5
50 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 5
51 1 . 1 . 1 1 62 62 LEU MD1 H . . . . 62 . HD1# rr_1hfg 5
51 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 5
52 1 . 1 . 1 1 62 62 LEU MD1 H . . . . 62 . HD1# rr_1hfg 5
52 1 . 2 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 5
53 2 . 1 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 5
53 2 . 2 . 1 1 21 21 PRO HD3 H . . . . 21 . HD# rr_1hfg 5
53 3 . 1 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 5
53 3 . 2 . 1 1 21 21 PRO HD2 H . . . . 21 . HD# rr_1hfg 5
53 4 . 1 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 5
53 4 . 2 . 1 1 21 21 PRO HD3 H . . . . 21 . HD# rr_1hfg 5
53 5 . 1 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 5
53 5 . 2 . 1 1 21 21 PRO HD2 H . . . . 21 . HD# rr_1hfg 5
54 2 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD# rr_1hfg 5
54 2 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 5
54 3 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD# rr_1hfg 5
54 3 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 5
55 1 . 1 . 1 1 28 28 TRP HE3 H . . . . 28 . HE3 rr_1hfg 5
55 1 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 5
56 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 5
56 2 . 2 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 5
56 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 5
56 3 . 2 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 5
57 1 . 1 . 1 1 62 62 LEU HG H . . . . 62 . HG rr_1hfg 5
57 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 5
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
2 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
3 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
4 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
5 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
6 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
7 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
8 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
9 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
10 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
11 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
12 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 5
13 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
14 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 5
14 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 5
15 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 5
15 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 5
16 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
17 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
18 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
18 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
19 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
19 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
20 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
20 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
21 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 5
21 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 5
22 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 5
23 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 5
24 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 5
24 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 5
25 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 5
25 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 5
26 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
26 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
27 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
27 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
28 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 5
29 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
30 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
31 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
31 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
32 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
32 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
33 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
34 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
35 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
35 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
36 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
36 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
37 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
38 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 5
39 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
40 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
41 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
42 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 5
43 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 5
44 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
44 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
45 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
45 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
46 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
46 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 5
47 2 . . . . . . 4.0 2.8 5.5 rr_1hfg 5
47 3 . . . . . . 4.0 2.8 5.5 rr_1hfg 5
48 1 . . . . . . 3.0 1.8 5.5 rr_1hfg 5
49 1 . . . . . . 2.4 1.8 3.4 rr_1hfg 5
50 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 5
51 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 5
52 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 5
53 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 5
53 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 5
53 4 . . . . . . 3.0 1.8 5.5 rr_1hfg 5
53 5 . . . . . . 3.0 1.8 5.5 rr_1hfg 5
54 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
54 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
55 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 5
56 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
56 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 5
57 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 5
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 HA(i)-HN(i+2) 1 1 1 16 rr_1hfg 5
2 HA(i)-HN(i+3) 17 1 17 16 rr_1hfg 5
3 HA(i)-HN(i+4) 35 1 35 16 rr_1hfg 5
4 HB(i)-HN(i+2,3,4) 45 1 45 20 rr_1hfg 5
5 "assign (resid 25 and name HB2 ) (resid 27 and name HN ) 4.0 2.2 0.5" 51 1 51 78 rr_1hfg 5
6
;assign (resid 32 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 1.0
;
59 1 61 71 rr_1hfg 5
7
;assign (resid 60 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 1.0
Others
;
79 1 83 9 rr_1hfg 5
8 "assign (resid 24 and name HD2# ) (resid 26 and name HN ) 4.0 2.2 1.0" 97 1 97 71 rr_1hfg 5
9
;assign (resid 41 and name HG1# ) (resid 44 and name HN ) 2.4 0.6 1.0
assign (resid 41 and name HG12 ) (resid 44 and name HN ) 2.4 0.6 0.3
assign (resid 44 and name HG2# ) (resid 46 and name HN ) 4.0 2.2 1.0
;
105 1 111 71 rr_1hfg 5
10 HN(i)-HN(i+2,3,4) 117 1 117 20 rr_1hfg 5
11 HA(i)-HB(i+3) 127 1 127 16 rr_1hfg 5
12 Others 151 1 151 9 rr_1hfg 5
13 "assign (resid 24 and name HD2# ) (resid 21 and name HD1 ) 3.0 1.2 0.5" 185 1 185 71 rr_1hfg 5
14 "assign (resid 25 and name HD2# ) (resid 22 and name HA ) 4.0 2.2 1.0" 191 1 191 71 rr_1hfg 5
15 "assign (resid 66 and name HD2# ) (resid 63 and name HA ) 4.0 2.2 1.0" 201 1 201 71 rr_1hfg 5
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 6
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_1hfg 6
1 2 . 3 . rr_1hfg 6
1 3 . . . rr_1hfg 6
2 1 . . . rr_1hfg 6
3 1 . . . rr_1hfg 6
4 1 . . . rr_1hfg 6
5 1 . . . rr_1hfg 6
6 1 2 . OR rr_1hfg 6
6 2 . 3 . rr_1hfg 6
6 3 . . . rr_1hfg 6
7 1 . . . rr_1hfg 6
8 1 . . . rr_1hfg 6
9 1 . . . rr_1hfg 6
10 1 . . . rr_1hfg 6
11 1 . . . rr_1hfg 6
12 1 2 . OR rr_1hfg 6
12 2 . 3 . rr_1hfg 6
12 3 . . . rr_1hfg 6
13 1 2 . OR rr_1hfg 6
13 2 . 3 . rr_1hfg 6
13 3 . . . rr_1hfg 6
14 1 . . . rr_1hfg 6
15 1 2 . OR rr_1hfg 6
15 2 . 3 . rr_1hfg 6
15 3 . . . rr_1hfg 6
16 1 2 . OR rr_1hfg 6
16 2 . 3 . rr_1hfg 6
16 3 . . . rr_1hfg 6
17 1 2 . OR rr_1hfg 6
17 2 . 3 . rr_1hfg 6
17 3 . . . rr_1hfg 6
18 1 . . . rr_1hfg 6
19 1 . . . rr_1hfg 6
20 1 . . . rr_1hfg 6
21 1 . . . rr_1hfg 6
22 1 . . . rr_1hfg 6
23 1 . . . rr_1hfg 6
24 1 . . . rr_1hfg 6
25 1 . . . rr_1hfg 6
26 1 2 . OR rr_1hfg 6
26 2 . 3 . rr_1hfg 6
26 3 . . . rr_1hfg 6
27 1 . . . rr_1hfg 6
28 1 2 . OR rr_1hfg 6
28 2 . 3 . rr_1hfg 6
28 3 . 4 . rr_1hfg 6
28 4 . 5 . rr_1hfg 6
28 5 . . . rr_1hfg 6
29 1 2 . OR rr_1hfg 6
29 2 . 3 . rr_1hfg 6
29 3 . . . rr_1hfg 6
30 1 2 . OR rr_1hfg 6
30 2 . 3 . rr_1hfg 6
30 3 . . . rr_1hfg 6
31 1 2 . OR rr_1hfg 6
31 2 . 3 . rr_1hfg 6
31 3 . . . rr_1hfg 6
32 1 . . . rr_1hfg 6
33 1 . . . rr_1hfg 6
34 1 . . . rr_1hfg 6
35 1 . . . rr_1hfg 6
36 1 . . . rr_1hfg 6
37 1 . . . rr_1hfg 6
38 1 . . . rr_1hfg 6
39 1 . . . rr_1hfg 6
40 1 . . . rr_1hfg 6
41 1 . . . rr_1hfg 6
42 1 2 . OR rr_1hfg 6
42 2 . 3 . rr_1hfg 6
42 3 . . . rr_1hfg 6
43 1 . . . rr_1hfg 6
44 1 2 . OR rr_1hfg 6
44 2 . 3 . rr_1hfg 6
44 3 . . . rr_1hfg 6
45 1 . . . rr_1hfg 6
46 1 . . . rr_1hfg 6
47 1 . . . rr_1hfg 6
48 1 . . . rr_1hfg 6
49 1 . . . rr_1hfg 6
50 1 2 . OR rr_1hfg 6
50 2 . 3 . rr_1hfg 6
50 3 . . . rr_1hfg 6
51 1 . . . rr_1hfg 6
52 1 2 . OR rr_1hfg 6
52 2 . 3 . rr_1hfg 6
52 3 . . . rr_1hfg 6
53 1 . . . rr_1hfg 6
54 1 . . . rr_1hfg 6
55 1 . . . rr_1hfg 6
56 1 . . . rr_1hfg 6
57 1 . . . rr_1hfg 6
58 1 . . . rr_1hfg 6
59 1 . . . rr_1hfg 6
60 1 . . . rr_1hfg 6
61 1 . . . rr_1hfg 6
62 1 . . . rr_1hfg 6
63 1 . . . rr_1hfg 6
64 1 . . . rr_1hfg 6
65 1 2 . OR rr_1hfg 6
65 2 . 3 . rr_1hfg 6
65 3 . . . rr_1hfg 6
66 1 2 . OR rr_1hfg 6
66 2 . 3 . rr_1hfg 6
66 3 . . . rr_1hfg 6
67 1 2 . OR rr_1hfg 6
67 2 . 3 . rr_1hfg 6
67 3 . . . rr_1hfg 6
68 1 . . . rr_1hfg 6
69 1 . . . rr_1hfg 6
70 1 2 . OR rr_1hfg 6
70 2 . 3 . rr_1hfg 6
70 3 . . . rr_1hfg 6
71 1 . . . rr_1hfg 6
72 1 . . . rr_1hfg 6
73 1 . . . rr_1hfg 6
74 1 . . . rr_1hfg 6
75 1 . . . rr_1hfg 6
76 1 . . . rr_1hfg 6
77 1 . . . rr_1hfg 6
78 1 . . . rr_1hfg 6
79 1 . . . rr_1hfg 6
80 1 . . . rr_1hfg 6
81 1 . . . rr_1hfg 6
82 1 . . . rr_1hfg 6
83 1 . . . rr_1hfg 6
84 1 . . . rr_1hfg 6
85 1 . . . rr_1hfg 6
86 1 2 . OR rr_1hfg 6
86 2 . 3 . rr_1hfg 6
86 3 . . . rr_1hfg 6
87 1 2 . OR rr_1hfg 6
87 2 . 3 . rr_1hfg 6
87 3 . . . rr_1hfg 6
88 1 . . . rr_1hfg 6
89 1 . . . rr_1hfg 6
90 1 . . . rr_1hfg 6
91 1 . . . rr_1hfg 6
92 1 . . . rr_1hfg 6
93 1 . . . rr_1hfg 6
94 1 . . . rr_1hfg 6
95 1 . . . rr_1hfg 6
96 1 . . . rr_1hfg 6
97 1 . . . rr_1hfg 6
98 1 . . . rr_1hfg 6
99 1 . . . rr_1hfg 6
100 1 . . . rr_1hfg 6
101 1 . . . rr_1hfg 6
102 1 . . . rr_1hfg 6
103 1 . . . rr_1hfg 6
104 1 . . . rr_1hfg 6
105 1 . . . rr_1hfg 6
106 1 2 . OR rr_1hfg 6
106 2 . 3 . rr_1hfg 6
106 3 . . . rr_1hfg 6
107 1 2 . OR rr_1hfg 6
107 2 . 3 . rr_1hfg 6
107 3 . . . rr_1hfg 6
108 1 2 . OR rr_1hfg 6
108 2 . 3 . rr_1hfg 6
108 3 . . . rr_1hfg 6
109 1 . . . rr_1hfg 6
110 1 . . . rr_1hfg 6
111 1 . . . rr_1hfg 6
112 1 2 . OR rr_1hfg 6
112 2 . 3 . rr_1hfg 6
112 3 . . . rr_1hfg 6
113 1 2 . OR rr_1hfg 6
113 2 . 3 . rr_1hfg 6
113 3 . . . rr_1hfg 6
114 1 2 . OR rr_1hfg 6
114 2 . 3 . rr_1hfg 6
114 3 . . . rr_1hfg 6
115 1 . . . rr_1hfg 6
116 1 2 . OR rr_1hfg 6
116 2 . 3 . rr_1hfg 6
116 3 . . . rr_1hfg 6
117 1 2 . OR rr_1hfg 6
117 2 . 3 . rr_1hfg 6
117 3 . . . rr_1hfg 6
118 1 . . . rr_1hfg 6
119 1 . . . rr_1hfg 6
120 1 2 . OR rr_1hfg 6
120 2 . 3 . rr_1hfg 6
120 3 . . . rr_1hfg 6
121 1 2 . OR rr_1hfg 6
121 2 . 3 . rr_1hfg 6
121 3 . 4 . rr_1hfg 6
121 4 . 5 . rr_1hfg 6
121 5 . . . rr_1hfg 6
122 1 . . . rr_1hfg 6
123 1 . . . rr_1hfg 6
124 1 . . . rr_1hfg 6
125 1 2 . OR rr_1hfg 6
125 2 . 3 . rr_1hfg 6
125 3 . . . rr_1hfg 6
126 1 . . . rr_1hfg 6
127 1 . . . rr_1hfg 6
128 1 . . . rr_1hfg 6
129 1 . . . rr_1hfg 6
130 1 . . . rr_1hfg 6
131 1 . . . rr_1hfg 6
132 1 . . . rr_1hfg 6
133 1 . . . rr_1hfg 6
134 1 . . . rr_1hfg 6
135 1 . . . rr_1hfg 6
136 1 . . . rr_1hfg 6
137 1 . . . rr_1hfg 6
138 1 . . . rr_1hfg 6
139 1 . . . rr_1hfg 6
140 1 . . . rr_1hfg 6
141 1 . . . rr_1hfg 6
142 1 . . . rr_1hfg 6
143 1 . . . rr_1hfg 6
144 1 . . . rr_1hfg 6
145 1 . . . rr_1hfg 6
146 1 . . . rr_1hfg 6
147 1 . . . rr_1hfg 6
148 1 . . . rr_1hfg 6
149 1 . . . rr_1hfg 6
150 1 . . . rr_1hfg 6
151 1 . . . rr_1hfg 6
152 1 . . . rr_1hfg 6
153 1 . . . rr_1hfg 6
154 1 . . . rr_1hfg 6
155 1 . . . rr_1hfg 6
156 1 . . . rr_1hfg 6
157 1 . . . rr_1hfg 6
158 1 . . . rr_1hfg 6
159 1 2 . OR rr_1hfg 6
159 2 . 3 . rr_1hfg 6
159 3 . . . rr_1hfg 6
160 1 2 . OR rr_1hfg 6
160 2 . 3 . rr_1hfg 6
160 3 . . . rr_1hfg 6
161 1 2 . OR rr_1hfg 6
161 2 . 3 . rr_1hfg 6
161 3 . . . rr_1hfg 6
162 1 2 . OR rr_1hfg 6
162 2 . 3 . rr_1hfg 6
162 3 . . . rr_1hfg 6
163 1 2 . OR rr_1hfg 6
163 2 . 3 . rr_1hfg 6
163 3 . 4 . rr_1hfg 6
163 4 . 5 . rr_1hfg 6
163 5 . . . rr_1hfg 6
164 1 2 . OR rr_1hfg 6
164 2 . 3 . rr_1hfg 6
164 3 . . . rr_1hfg 6
165 1 . . . rr_1hfg 6
166 1 . . . rr_1hfg 6
167 1 . . . rr_1hfg 6
168 1 . . . rr_1hfg 6
169 1 . . . rr_1hfg 6
170 1 . . . rr_1hfg 6
171 1 . . . rr_1hfg 6
172 1 . . . rr_1hfg 6
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 6
1 2 . 2 . 1 1 37 37 LYS HE2 H . . . . 37 . HE# rr_1hfg 6
1 3 . 1 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 6
1 3 . 2 . 1 1 37 37 LYS HE3 H . . . . 37 . HE# rr_1hfg 6
2 1 . 1 . 1 1 15 15 TYR HB2 H . . . . 15 . HB2 rr_1hfg 6
2 1 . 2 . 1 1 53 53 ASP H H . . . . 53 . HN rr_1hfg 6
3 1 . 1 . 1 1 16 16 GLN HB3 H . . . . 16 . HB1 rr_1hfg 6
3 1 . 2 . 1 1 52 52 ALA HA H . . . . 52 . HA rr_1hfg 6
4 1 . 1 . 1 1 16 16 GLN HB3 H . . . . 16 . HB1 rr_1hfg 6
4 1 . 2 . 1 1 58 58 TRP HH2 H . . . . 58 . HH2 rr_1hfg 6
5 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 6
5 1 . 2 . 1 1 58 58 TRP HH2 H . . . . 58 . HH2 rr_1hfg 6
6 2 . 1 . 1 1 16 16 GLN HG2 H . . . . 16 . HG# rr_1hfg 6
6 2 . 2 . 1 1 58 58 TRP HH2 H . . . . 58 . HH2 rr_1hfg 6
6 3 . 1 . 1 1 16 16 GLN HG3 H . . . . 16 . HG# rr_1hfg 6
6 3 . 2 . 1 1 58 58 TRP HH2 H . . . . 58 . HH2 rr_1hfg 6
7 1 . 1 . 1 1 16 16 GLN HB3 H . . . . 16 . HB1 rr_1hfg 6
7 1 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
8 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 6
8 1 . 2 . 1 1 50 50 VAL MG2 H . . . . 50 . HG2# rr_1hfg 6
9 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 6
9 1 . 2 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 6
10 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 6
10 1 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
11 1 . 1 . 1 1 16 16 GLN HB2 H . . . . 16 . HB2 rr_1hfg 6
11 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 6
12 2 . 1 . 1 1 16 16 GLN HG2 H . . . . 16 . HG# rr_1hfg 6
12 2 . 2 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 6
12 3 . 1 . 1 1 16 16 GLN HG3 H . . . . 16 . HG# rr_1hfg 6
12 3 . 2 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 6
13 2 . 1 . 1 1 16 16 GLN HG2 H . . . . 16 . HG# rr_1hfg 6
13 2 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
13 3 . 1 . 1 1 16 16 GLN HG3 H . . . . 16 . HG# rr_1hfg 6
13 3 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
14 1 . 1 . 1 1 17 17 LYS HA H . . . . 17 . HA rr_1hfg 6
14 1 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
15 2 . 1 . 1 1 19 19 PRO HG2 H . . . . 19 . HG# rr_1hfg 6
15 2 . 2 . 1 1 58 58 TRP HE1 H . . . . 58 . HE1 rr_1hfg 6
15 3 . 1 . 1 1 19 19 PRO HG3 H . . . . 19 . HG# rr_1hfg 6
15 3 . 2 . 1 1 58 58 TRP HE1 H . . . . 58 . HE1 rr_1hfg 6
16 2 . 1 . 1 1 19 19 PRO HB2 H . . . . 19 . HB# rr_1hfg 6
16 2 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
16 3 . 1 . 1 1 19 19 PRO HB3 H . . . . 19 . HB# rr_1hfg 6
16 3 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
17 2 . 1 . 1 1 19 19 PRO HB2 H . . . . 19 . HB# rr_1hfg 6
17 2 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 6
17 3 . 1 . 1 1 19 19 PRO HB3 H . . . . 19 . HB# rr_1hfg 6
17 3 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 6
18 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 6
18 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 6
19 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 6
19 1 . 2 . 1 1 58 58 TRP HH2 H . . . . 58 . HH2 rr_1hfg 6
20 1 . 1 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 6
20 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 6
21 1 . 1 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1hfg 6
21 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 6
22 1 . 1 . 1 1 20 20 LEU MD2 H . . . . 20 . HD2# rr_1hfg 6
22 1 . 2 . 1 1 58 58 TRP HH2 H . . . . 58 . HH2 rr_1hfg 6
23 1 . 1 . 1 1 20 20 LEU HB3 H . . . . 20 . HB1 rr_1hfg 6
23 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 6
24 1 . 1 . 1 1 20 20 LEU HB2 H . . . . 20 . HB2 rr_1hfg 6
24 1 . 2 . 1 1 58 58 TRP HZ3 H . . . . 58 . HZ3 rr_1hfg 6
25 1 . 1 . 1 1 22 22 GLN HB2 H . . . . 22 . HB2 rr_1hfg 6
25 1 . 2 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 6
26 2 . 1 . 1 1 22 22 GLN HG3 H . . . . 22 . HG# rr_1hfg 6
26 2 . 2 . 1 1 62 62 LEU HG H . . . . 62 . HG# rr_1hfg 6
26 3 . 1 . 1 1 22 22 GLN HG2 H . . . . 22 . HG# rr_1hfg 6
26 3 . 2 . 1 1 62 62 LEU HG H . . . . 62 . HG# rr_1hfg 6
27 1 . 1 . 1 1 22 22 GLN H H . . . . 22 . HN rr_1hfg 6
27 1 . 2 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 6
28 2 . 1 . 1 1 22 22 GLN HG2 H . . . . 22 . HG# rr_1hfg 6
28 2 . 2 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
28 3 . 1 . 1 1 22 22 GLN HG2 H . . . . 22 . HG# rr_1hfg 6
28 3 . 2 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
28 4 . 1 . 1 1 22 22 GLN HG3 H . . . . 22 . HG# rr_1hfg 6
28 4 . 2 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
28 5 . 1 . 1 1 22 22 GLN HG3 H . . . . 22 . HG# rr_1hfg 6
28 5 . 2 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
29 2 . 1 . 1 1 22 22 GLN HE21 H . . . . 22 . HE21 rr_1hfg 6
29 2 . 2 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
29 3 . 1 . 1 1 22 22 GLN HE21 H . . . . 22 . HE21 rr_1hfg 6
29 3 . 2 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
30 2 . 1 . 1 1 22 22 GLN HE22 H . . . . 22 . HE22 rr_1hfg 6
30 2 . 2 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
30 3 . 1 . 1 1 22 22 GLN HE22 H . . . . 22 . HE22 rr_1hfg 6
30 3 . 2 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
31 2 . 1 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 6
31 2 . 2 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 6
31 3 . 1 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 6
31 3 . 2 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 6
32 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 6
32 1 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 6
33 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 6
33 1 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 6
34 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 6
34 1 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 6
35 1 . 1 . 1 1 25 25 LEU HB2 H . . . . 25 . HB2 rr_1hfg 6
35 1 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 6
36 1 . 1 . 1 1 25 25 LEU HB3 H . . . . 25 . HB1 rr_1hfg 6
36 1 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 6
37 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1hfg 6
37 1 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 6
38 1 . 1 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1hfg 6
38 1 . 2 . 1 1 58 58 TRP HE3 H . . . . 58 . HE3 rr_1hfg 6
39 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 6
39 1 . 2 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 6
40 1 . 1 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 6
40 1 . 2 . 1 1 44 44 THR HB H . . . . 44 . HB rr_1hfg 6
41 1 . 1 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 6
41 1 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 6
42 2 . 1 . 1 1 26 26 SER HB2 H . . . . 26 . HB# rr_1hfg 6
42 2 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 6
42 3 . 1 . 1 1 26 26 SER HB3 H . . . . 26 . HB# rr_1hfg 6
42 3 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 6
43 1 . 1 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 6
43 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 6
44 2 . 1 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
44 2 . 2 . 1 1 63 63 MET HB2 H . . . . 63 . HB# rr_1hfg 6
44 3 . 1 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
44 3 . 2 . 1 1 63 63 MET HB3 H . . . . 63 . HB# rr_1hfg 6
45 1 . 1 . 1 1 28 28 TRP HZ3 H . . . . 28 . HZ3 rr_1hfg 6
45 1 . 2 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 6
46 1 . 1 . 1 1 28 28 TRP HE3 H . . . . 28 . HE3 rr_1hfg 6
46 1 . 2 . 1 1 40 40 VAL HB H . . . . 40 . HB rr_1hfg 6
47 1 . 1 . 1 1 28 28 TRP HE3 H . . . . 28 . HE3 rr_1hfg 6
47 1 . 2 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 6
48 1 . 1 . 1 1 28 28 TRP HE3 H . . . . 28 . HE3 rr_1hfg 6
48 1 . 2 . 1 1 40 40 VAL MG2 H . . . . 40 . HG2# rr_1hfg 6
49 1 . 1 . 1 1 28 28 TRP HH2 H . . . . 28 . HH2 rr_1hfg 6
49 1 . 2 . 1 1 63 63 MET ME H . . . . 63 . HE# rr_1hfg 6
50 2 . 1 . 1 1 28 28 TRP HB3 H . . . . 28 . HB# rr_1hfg 6
50 2 . 2 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 6
50 3 . 1 . 1 1 28 28 TRP HB2 H . . . . 28 . HB# rr_1hfg 6
50 3 . 2 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 6
51 1 . 1 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 6
51 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 6
52 2 . 1 . 1 1 28 28 TRP HB3 H . . . . 28 . HB# rr_1hfg 6
52 2 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 6
52 3 . 1 . 1 1 28 28 TRP HB2 H . . . . 28 . HB# rr_1hfg 6
52 3 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 6
53 1 . 1 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
53 1 . 2 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 6
54 1 . 1 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 6
54 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 6
55 1 . 1 . 1 1 29 29 TYR HB3 H . . . . 29 . HB1 rr_1hfg 6
55 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 6
56 1 . 1 . 1 1 29 29 TYR HB2 H . . . . 29 . HB2 rr_1hfg 6
56 1 . 2 . 1 1 69 69 THR H H . . . . 69 . HN rr_1hfg 6
57 1 . 1 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 6
57 1 . 2 . 1 1 40 40 VAL HA H . . . . 40 . HA rr_1hfg 6
58 1 . 1 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 6
58 1 . 2 . 1 1 41 41 ILE H H . . . . 41 . HN rr_1hfg 6
59 1 . 1 . 1 1 31 31 THR HB H . . . . 31 . HB rr_1hfg 6
59 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1hfg 6
60 1 . 1 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 6
60 1 . 2 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1hfg 6
61 1 . 1 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 6
61 1 . 2 . 1 1 40 40 VAL HA H . . . . 40 . HA rr_1hfg 6
62 1 . 1 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 6
62 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1hfg 6
63 1 . 1 . 1 1 31 31 THR H H . . . . 31 . HN rr_1hfg 6
63 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1hfg 6
64 1 . 1 . 1 1 35 35 CYS HB3 H . . . . 35 . HB1 rr_1hfg 6
64 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1hfg 6
65 2 . 1 . 1 1 37 37 LYS HB2 H . . . . 37 . HB# rr_1hfg 6
65 2 . 2 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 6
65 3 . 1 . 1 1 37 37 LYS HB3 H . . . . 37 . HB# rr_1hfg 6
65 3 . 2 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 6
66 2 . 1 . 1 1 37 37 LYS HD2 H . . . . 37 . HD# rr_1hfg 6
66 2 . 2 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 6
66 3 . 1 . 1 1 37 37 LYS HD3 H . . . . 37 . HD# rr_1hfg 6
66 3 . 2 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 6
67 2 . 1 . 1 1 37 37 LYS HG2 H . . . . 37 . HG# rr_1hfg 6
67 2 . 2 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 6
67 3 . 1 . 1 1 37 37 LYS HG3 H . . . . 37 . HG# rr_1hfg 6
67 3 . 2 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 6
68 1 . 1 . 1 1 38 38 PRO HB2 H . . . . 38 . HB2 rr_1hfg 6
68 1 . 2 . 1 1 31 31 THR MG H . . . . 31 . HG2# rr_1hfg 6
69 1 . 1 . 1 1 38 38 PRO HB2 H . . . . 38 . HB2 rr_1hfg 6
69 1 . 2 . 1 1 33 33 GLN HA H . . . . 33 . HA rr_1hfg 6
70 2 . 1 . 1 1 39 39 GLY HA2 H . . . . 39 . HA# rr_1hfg 6
70 2 . 2 . 1 1 54 54 LYS H H . . . . 54 . HN rr_1hfg 6
70 3 . 1 . 1 1 39 39 GLY HA3 H . . . . 39 . HA# rr_1hfg 6
70 3 . 2 . 1 1 54 54 LYS H H . . . . 54 . HN rr_1hfg 6
71 1 . 1 . 1 1 40 40 VAL HB H . . . . 40 . HB rr_1hfg 6
71 1 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 6
72 1 . 1 . 1 1 40 40 VAL MG2 H . . . . 40 . HG2# rr_1hfg 6
72 1 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 6
73 1 . 1 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 6
73 1 . 2 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 6
74 1 . 1 . 1 1 40 40 VAL HA H . . . . 40 . HA rr_1hfg 6
74 1 . 2 . 1 1 31 31 THR H H . . . . 31 . HN rr_1hfg 6
75 1 . 1 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 6
75 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 6
76 1 . 1 . 1 1 40 40 VAL MG2 H . . . . 40 . HG2# rr_1hfg 6
76 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 6
77 1 . 1 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 6
77 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 6
78 1 . 1 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 6
78 1 . 2 . 1 1 31 31 THR H H . . . . 31 . HN rr_1hfg 6
79 1 . 1 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 6
79 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 6
80 1 . 1 . 1 1 41 41 ILE HB H . . . . 41 . HB rr_1hfg 6
80 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 6
81 1 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 6
81 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 6
82 1 . 1 . 1 1 41 41 ILE MD H . . . . 41 . HD1# rr_1hfg 6
82 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 6
83 1 . 1 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 6
83 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 6
84 1 . 1 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 6
84 1 . 2 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 6
85 1 . 1 . 1 1 41 41 ILE MD H . . . . 41 . HD1# rr_1hfg 6
85 1 . 2 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 6
86 2 . 1 . 1 1 41 41 ILE HG12 H . . . . 41 . HG1# rr_1hfg 6
86 2 . 2 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 6
86 3 . 1 . 1 1 41 41 ILE HG13 H . . . . 41 . HG1# rr_1hfg 6
86 3 . 2 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 6
87 2 . 1 . 1 1 41 41 ILE HG12 H . . . . 41 . HG1# rr_1hfg 6
87 2 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE2 rr_1hfg 6
87 3 . 1 . 1 1 41 41 ILE HG13 H . . . . 41 . HG1# rr_1hfg 6
87 3 . 2 . 1 1 29 29 TYR HE2 H . . . . 29 . HE2 rr_1hfg 6
88 1 . 1 . 1 1 42 42 PHE HB3 H . . . . 42 . HB1 rr_1hfg 6
88 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 6
89 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 6
89 1 . 2 . 1 1 25 25 LEU MD1 H . . . . 25 . HD1# rr_1hfg 6
90 1 . 1 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 6
90 1 . 2 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 6
91 1 . 1 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 6
91 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 6
92 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 6
92 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 6
93 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 6
93 1 . 2 . 1 1 50 50 VAL HB H . . . . 50 . HB rr_1hfg 6
94 1 . 1 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 6
94 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 6
95 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 6
95 1 . 2 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 6
96 1 . 1 . 1 1 42 42 PHE HB2 H . . . . 42 . HB2 rr_1hfg 6
96 1 . 2 . 1 1 50 50 VAL MG2 H . . . . 50 . HG2# rr_1hfg 6
97 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
97 1 . 2 . 1 1 59 59 VAL MG1 H . . . . 59 . HG1# rr_1hfg 6
98 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
98 1 . 2 . 1 1 62 62 LEU HB3 H . . . . 62 . HB1 rr_1hfg 6
99 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
99 1 . 2 . 1 1 62 62 LEU HB2 H . . . . 62 . HB2 rr_1hfg 6
100 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
100 1 . 2 . 1 1 62 62 LEU MD1 H . . . . 62 . HD1# rr_1hfg 6
101 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
101 1 . 2 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 6
102 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
102 1 . 2 . 1 1 63 63 MET HG3 H . . . . 63 . HG1 rr_1hfg 6
103 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
103 1 . 2 . 1 1 63 63 MET HG2 H . . . . 63 . HG2 rr_1hfg 6
104 1 . 1 . 1 1 42 42 PHE HZ H . . . . 42 . HZ rr_1hfg 6
104 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 6
105 1 . 1 . 1 1 43 43 LEU HA H . . . . 43 . HA rr_1hfg 6
105 1 . 2 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 6
106 2 . 1 . 1 1 43 43 LEU HB2 H . . . . 43 . HB# rr_1hfg 6
106 2 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 6
106 3 . 1 . 1 1 43 43 LEU HB3 H . . . . 43 . HB# rr_1hfg 6
106 3 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 6
107 2 . 1 . 1 1 43 43 LEU HB2 H . . . . 43 . HB# rr_1hfg 6
107 2 . 2 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 6
107 3 . 1 . 1 1 43 43 LEU HB3 H . . . . 43 . HB# rr_1hfg 6
107 3 . 2 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 6
108 2 . 1 . 1 1 43 43 LEU MD2 H . . . . 43 . HD# rr_1hfg 6
108 2 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 6
108 3 . 1 . 1 1 43 43 LEU MD1 H . . . . 43 . HD# rr_1hfg 6
108 3 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 6
109 1 . 1 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 6
109 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 6
110 1 . 1 . 1 1 44 44 THR HB H . . . . 44 . HB rr_1hfg 6
110 1 . 2 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 6
111 1 . 1 . 1 1 44 44 THR MG H . . . . 44 . HG2# rr_1hfg 6
111 1 . 2 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 6
112 2 . 1 . 1 1 45 45 LYS HD2 H . . . . 45 . HD# rr_1hfg 6
112 2 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 6
112 3 . 1 . 1 1 45 45 LYS HD3 H . . . . 45 . HD# rr_1hfg 6
112 3 . 2 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 6
113 2 . 1 . 1 1 45 45 LYS HG3 H . . . . 45 . HG# rr_1hfg 6
113 2 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 6
113 3 . 1 . 1 1 45 45 LYS HG2 H . . . . 45 . HG# rr_1hfg 6
113 3 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 6
114 2 . 1 . 1 1 45 45 LYS HA H . . . . 45 . HA rr_1hfg 6
114 2 . 2 . 1 1 26 26 SER HB2 H . . . . 26 . HB# rr_1hfg 6
114 3 . 1 . 1 1 45 45 LYS HA H . . . . 45 . HA rr_1hfg 6
114 3 . 2 . 1 1 26 26 SER HB3 H . . . . 26 . HB# rr_1hfg 6
115 1 . 1 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 6
115 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 6
116 2 . 1 . 1 1 47 47 GLY HA3 H . . . . 47 . HA1 rr_1hfg 6
116 2 . 2 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 6
116 3 . 1 . 1 1 47 47 GLY HA3 H . . . . 47 . HA1 rr_1hfg 6
116 3 . 2 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 6
117 2 . 1 . 1 1 47 47 GLY HA2 H . . . . 47 . HA2 rr_1hfg 6
117 2 . 2 . 1 1 24 24 LEU MD1 H . . . . 24 . HD# rr_1hfg 6
117 3 . 1 . 1 1 47 47 GLY HA2 H . . . . 47 . HA2 rr_1hfg 6
117 3 . 2 . 1 1 24 24 LEU MD2 H . . . . 24 . HD# rr_1hfg 6
118 1 . 1 . 1 1 49 49 GLN HB2 H . . . . 49 . HB2 rr_1hfg 6
118 1 . 2 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 6
119 1 . 1 . 1 1 49 49 GLN HB3 H . . . . 49 . HB1 rr_1hfg 6
119 1 . 2 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 6
120 2 . 1 . 1 1 49 49 GLN HG3 H . . . . 49 . HG# rr_1hfg 6
120 2 . 2 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 6
120 3 . 1 . 1 1 49 49 GLN HG2 H . . . . 49 . HG# rr_1hfg 6
120 3 . 2 . 1 1 41 41 ILE MG H . . . . 41 . HG2# rr_1hfg 6
121 2 . 1 . 1 1 49 49 GLN HG3 H . . . . 49 . HG# rr_1hfg 6
121 2 . 2 . 1 1 41 41 ILE HG13 H . . . . 41 . HG1# rr_1hfg 6
121 3 . 1 . 1 1 49 49 GLN HG3 H . . . . 49 . HG# rr_1hfg 6
121 3 . 2 . 1 1 41 41 ILE HG12 H . . . . 41 . HG1# rr_1hfg 6
121 4 . 1 . 1 1 49 49 GLN HG2 H . . . . 49 . HG# rr_1hfg 6
121 4 . 2 . 1 1 41 41 ILE HG12 H . . . . 41 . HG1# rr_1hfg 6
121 5 . 1 . 1 1 49 49 GLN HG2 H . . . . 49 . HG# rr_1hfg 6
121 5 . 2 . 1 1 41 41 ILE HG13 H . . . . 41 . HG1# rr_1hfg 6
122 1 . 1 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 6
122 1 . 2 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 6
123 1 . 1 . 1 1 50 50 VAL HB H . . . . 50 . HB rr_1hfg 6
123 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 6
124 1 . 1 . 1 1 50 50 VAL MG1 H . . . . 50 . HG1# rr_1hfg 6
124 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 6
125 2 . 1 . 1 1 50 50 VAL HB H . . . . 50 . HB rr_1hfg 6
125 2 . 2 . 1 1 41 41 ILE HG12 H . . . . 41 . HG1# rr_1hfg 6
125 3 . 1 . 1 1 50 50 VAL HB H . . . . 50 . HB rr_1hfg 6
125 3 . 2 . 1 1 41 41 ILE HG13 H . . . . 41 . HG1# rr_1hfg 6
126 1 . 1 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 6
126 1 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 6
127 1 . 1 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 6
127 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 6
128 1 . 1 . 1 1 51 51 CYS HB3 H . . . . 51 . HB1 rr_1hfg 6
128 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 6
129 1 . 1 . 1 1 51 51 CYS HB2 H . . . . 51 . HB2 rr_1hfg 6
129 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 6
130 1 . 1 . 1 1 51 51 CYS HB3 H . . . . 51 . HB1 rr_1hfg 6
130 1 . 2 . 1 1 15 15 TYR HA H . . . . 15 . HA rr_1hfg 6
131 1 . 1 . 1 1 51 51 CYS HB2 H . . . . 51 . HB2 rr_1hfg 6
131 1 . 2 . 1 1 15 15 TYR HA H . . . . 15 . HA rr_1hfg 6
132 1 . 1 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 6
132 1 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 6
133 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 6
133 1 . 2 . 1 1 58 58 TRP HZ2 H . . . . 58 . HZ2 rr_1hfg 6
134 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 6
134 1 . 2 . 1 1 58 58 TRP HH2 H . . . . 58 . HH2 rr_1hfg 6
135 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 6
135 1 . 2 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 6
136 1 . 1 . 1 1 52 52 ALA MB H . . . . 52 . HB# rr_1hfg 6
136 1 . 2 . 1 1 59 59 VAL MG1 H . . . . 59 . HG1# rr_1hfg 6
137 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 6
137 1 . 2 . 1 1 53 53 ASP H H . . . . 53 . HN rr_1hfg 6
138 1 . 1 . 1 1 59 59 VAL HB H . . . . 59 . HB rr_1hfg 6
138 1 . 2 . 1 1 54 54 LYS HA H . . . . 54 . HA rr_1hfg 6
139 1 . 1 . 1 1 59 59 VAL MG1 H . . . . 59 . HG1# rr_1hfg 6
139 1 . 2 . 1 1 54 54 LYS HA H . . . . 54 . HA rr_1hfg 6
140 1 . 1 . 1 1 59 59 VAL MG2 H . . . . 59 . HG2# rr_1hfg 6
140 1 . 2 . 1 1 54 54 LYS HA H . . . . 54 . HA rr_1hfg 6
141 1 . 1 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 6
141 1 . 2 . 1 1 25 25 LEU MD2 H . . . . 25 . HD2# rr_1hfg 6
142 1 . 1 . 1 1 62 62 LEU MD2 H . . . . 62 . HD2# rr_1hfg 6
142 1 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 6
143 1 . 1 . 1 1 63 63 MET HB3 H . . . . 63 . HB1 rr_1hfg 6
143 1 . 2 . 1 1 28 28 TRP HZ2 H . . . . 28 . HZ2 rr_1hfg 6
144 1 . 1 . 1 1 63 63 MET HB2 H . . . . 63 . HB2 rr_1hfg 6
144 1 . 2 . 1 1 28 28 TRP HZ2 H . . . . 28 . HZ2 rr_1hfg 6
145 1 . 1 . 1 1 63 63 MET ME H . . . . 63 . HE# rr_1hfg 6
145 1 . 2 . 1 1 28 28 TRP HZ2 H . . . . 28 . HZ2 rr_1hfg 6
146 1 . 1 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 6
146 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
147 1 . 1 . 1 1 63 63 MET ME H . . . . 63 . HE# rr_1hfg 6
147 1 . 2 . 1 1 40 40 VAL MG1 H . . . . 40 . HG1# rr_1hfg 6
148 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 6
148 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
149 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 6
149 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 6
150 1 . 1 . 1 1 66 66 LEU HB2 H . . . . 66 . HB2 rr_1hfg 6
150 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
151 1 . 1 . 1 1 66 66 LEU HB2 H . . . . 66 . HB2 rr_1hfg 6
151 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 6
152 1 . 1 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 6
152 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
153 1 . 1 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 6
153 1 . 2 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 6
154 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 6
154 1 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 6
155 1 . 1 . 1 1 66 66 LEU HB3 H . . . . 66 . HB1 rr_1hfg 6
155 1 . 2 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 6
156 1 . 1 . 1 1 66 66 LEU HB2 H . . . . 66 . HB2 rr_1hfg 6
156 1 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 6
157 1 . 1 . 1 1 66 66 LEU HB2 H . . . . 66 . HB2 rr_1hfg 6
157 1 . 2 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 6
158 1 . 1 . 1 1 66 66 LEU HA H . . . . 66 . HA rr_1hfg 6
158 1 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 6
159 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
159 2 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 6
159 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
159 3 . 2 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 6
160 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
160 2 . 2 . 1 1 26 26 SER HA H . . . . 26 . HA rr_1hfg 6
160 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
160 3 . 2 . 1 1 26 26 SER HA H . . . . 26 . HA rr_1hfg 6
161 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
161 2 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 6
161 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
161 3 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 6
162 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
162 2 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 6
162 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
162 3 . 2 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 6
163 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
163 2 . 2 . 1 1 67 67 PRO HD3 H . . . . 67 . HD# rr_1hfg 6
163 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
163 3 . 2 . 1 1 67 67 PRO HD3 H . . . . 67 . HD# rr_1hfg 6
163 4 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
163 4 . 2 . 1 1 67 67 PRO HD2 H . . . . 67 . HD# rr_1hfg 6
163 5 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
163 5 . 2 . 1 1 67 67 PRO HD2 H . . . . 67 . HD# rr_1hfg 6
164 2 . 1 . 1 1 66 66 LEU MD1 H . . . . 66 . HD# rr_1hfg 6
164 2 . 2 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 6
164 3 . 1 . 1 1 66 66 LEU MD2 H . . . . 66 . HD# rr_1hfg 6
164 3 . 2 . 1 1 28 28 TRP HD1 H . . . . 28 . HD1 rr_1hfg 6
165 1 . 1 . 1 1 68 68 VAL HA H . . . . 68 . HA rr_1hfg 6
165 1 . 2 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 6
166 1 . 1 . 1 1 68 68 VAL HA H . . . . 68 . HA rr_1hfg 6
166 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 6
167 1 . 1 . 1 1 68 68 VAL HA H . . . . 68 . HA rr_1hfg 6
167 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
168 1 . 1 . 1 1 68 68 VAL MG2 H . . . . 68 . HG2# rr_1hfg 6
168 1 . 2 . 1 1 28 28 TRP HE1 H . . . . 28 . HE1 rr_1hfg 6
169 1 . 1 . 1 1 68 68 VAL MG2 H . . . . 68 . HG2# rr_1hfg 6
169 1 . 2 . 1 1 28 28 TRP HH2 H . . . . 28 . HH2 rr_1hfg 6
170 1 . 1 . 1 1 68 68 VAL MG1 H . . . . 68 . HG1# rr_1hfg 6
170 1 . 2 . 1 1 28 28 TRP HZ2 H . . . . 28 . HZ2 rr_1hfg 6
171 1 . 1 . 1 1 68 68 VAL MG2 H . . . . 68 . HG2# rr_1hfg 6
171 1 . 2 . 1 1 28 28 TRP HZ2 H . . . . 28 . HZ2 rr_1hfg 6
172 1 . 1 . 1 1 68 68 VAL MG2 H . . . . 68 . HG2# rr_1hfg 6
172 1 . 2 . 1 1 28 28 TRP HZ3 H . . . . 28 . HZ3 rr_1hfg 6
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
1 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
2 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
3 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
4 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
5 1 . . . . . . 3.0 0.8 3.5 rr_1hfg 6
6 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
6 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
7 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
8 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
9 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
10 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
11 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 6
12 2 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
12 3 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
13 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
13 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
14 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
15 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
15 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
16 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
16 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
17 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
17 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
18 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
19 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
20 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
21 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
22 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
23 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
24 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
25 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
26 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
26 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
27 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
28 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
28 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
28 4 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
28 5 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
29 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
29 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
30 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
30 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
31 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
31 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
32 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
33 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
34 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 6
35 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
36 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
37 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
38 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
39 1 . . . . . . 2.4 1.8 3.4 rr_1hfg 6
40 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
41 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
42 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
42 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
43 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
44 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
44 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
45 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
46 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
47 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
48 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
49 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
50 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
50 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
51 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
52 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
52 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
53 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
54 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
55 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 6
56 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 6
57 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 6
58 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
59 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
60 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
61 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
62 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
63 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
64 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
65 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
65 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
66 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
66 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
67 2 . . . . . . 2.4 1.8 3.9 rr_1hfg 6
67 3 . . . . . . 2.4 1.8 3.9 rr_1hfg 6
68 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
69 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
70 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
70 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
71 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
72 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
73 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
74 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
75 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
76 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
77 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
78 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
79 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
80 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
81 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
82 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
83 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
84 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 6
85 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
86 2 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
86 3 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
87 2 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
87 3 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
88 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
89 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
90 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 6
91 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
92 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
93 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
94 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
95 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
96 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
97 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
98 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
99 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
100 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
101 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
102 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
103 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
104 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
105 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
106 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
106 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
107 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
107 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
108 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
108 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
109 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
110 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
111 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
112 2 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
112 3 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
113 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
113 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
114 2 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
114 3 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
115 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
116 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
116 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
117 2 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
117 3 . . . . . . 4.0 1.8 6.5 rr_1hfg 6
118 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
119 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
120 2 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
120 3 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
121 2 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
121 3 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
121 4 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
121 5 . . . . . . 4.0 1.8 6.0 rr_1hfg 6
122 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
123 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
124 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
125 2 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
125 3 . . . . . . 5.0 1.8 6.5 rr_1hfg 6
126 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 6
127 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
128 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
129 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
130 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
131 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
132 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
133 1 . . . . . . 4.0 1.8 5.5 rr_1hfg 6
134 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
135 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
136 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
137 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
138 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
139 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
140 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
141 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
142 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
143 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 6
144 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 6
145 1 . . . . . . 3.0 1.8 4.5 rr_1hfg 6
146 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 6
147 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
148 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
149 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
150 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
151 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
152 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
153 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 6
154 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
155 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
156 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 6
157 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 6
158 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
159 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
159 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
160 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
160 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
161 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
161 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
162 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
162 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
163 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
163 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
163 4 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
163 5 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
164 2 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
164 3 . . . . . . 3.0 1.8 5.5 rr_1hfg 6
165 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
166 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
167 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 6
168 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
169 1 . . . . . . 4.0 1.8 5.0 rr_1hfg 6
170 1 . . . . . . 5.0 1.8 6.0 rr_1hfg 6
171 1 . . . . . . 3.0 1.8 4.0 rr_1hfg 6
172 1 . . . . . . 5.0 2.8 6.0 rr_1hfg 6
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Tyr 15" 5 1 5 9 rr_1hfg 6
2 "Gln 16" 13 1 13 9 rr_1hfg 6
3 "Lys 17" 41 1 41 9 rr_1hfg 6
4 "Pro 19" 49 1 49 9 rr_1hfg 6
5 "assign (resid 19 and name HG1 ) (resid 58 and name HE1 ) 4.0 2.2 1.0" 55 1 55 71 rr_1hfg 6
6
;assign (resid 19 and name HB1 ) (resid 58 and name HE3 ) 3.0 1.2 0.5
Leu 20
;
63 1 67 9 rr_1hfg 6
7 "Gln 22" 87 1 87 9 rr_1hfg 6
8 "From Water Spectrum, Intensity is greater" 95 1 95 44 rr_1hfg 6
9 "Leu 24" 113 1 113 9 rr_1hfg 6
10
;assign (resid 24 and name HG ) (resid 43 and name HA ) 3.0 1.2 0.5
Leu 25
;
119 1 123 9 rr_1hfg 6
11 "assign (resid 25 and name HB1 ) (resid 66 and name HD2# ) 3.0 1.2 0.5" 139 1 139 72 rr_1hfg 6
12 "Ser 26" 153 1 153 9 rr_1hfg 6
13 "Ser 27" 163 1 163 9 rr_1hfg 6
14
;Trp 28
HE1
;
171 1 175 6 rr_1hfg 6
15 HZ3 183 1 183 6 rr_1hfg 6
16 HE3 191 1 191 6 rr_1hfg 6
17 HH2 203 1 203 6 rr_1hfg 6
18
;assign (resid 28 and name HB1 ) (resid 42 and name HA ) 3.0 1.2 0.5
assign (resid 28 and name HB1 ) (resid 42 and name HD1 ) 3.0 1.2 0.5
assign (resid 28 and name HB2 ) (resid 42 and name HD1 ) 3.0 1.2 0.5
;
211 1 215 71 rr_1hfg 6
19 "assign (resid 28 and name HB2 ) (resid 43 and name HN ) 3.0 1.2 0.5" 225 1 225 71 rr_1hfg 6
20 "This is a tough one!" 233 1 233 22 rr_1hfg 6
21 "Tyr 29" 239 1 239 9 rr_1hfg 6
22 "Pro 30" 249 1 249 9 rr_1hfg 6
23 "Thr 31" 259 1 259 9 rr_1hfg 6
24 "Cys 35" 275 1 275 9 rr_1hfg 6
25 "Lys 37" 283 1 283 10 rr_1hfg 6
26 "Pro 38" 295 1 295 9 rr_1hfg 6
27 "Gly 39" 305 1 305 9 rr_1hfg 6
28
;assign (resid 39 and name HA1 ) (resid 54 and name HN ) 4.0 2.2 1.0
Val 40
;
309 1 313 9 rr_1hfg 6
29 "Ile 41" 335 1 335 9 rr_1hfg 6
30
;assign (resid 41 and name HG11 ) (resid 51 and name HA ) 4.0 2.2 1.0
assign (resid 41 and name HG12 ) (resid 29 and name HE2 ) 4.0 2.2 1.0
Phe 42
;
359 1 367 9 rr_1hfg 6
31 "assign (resid 42 and name HB1 ) (resid 29 and name HN ) 3.0 1.2 0.5" 383 1 383 71 rr_1hfg 6
32 "Leu 43" 409 1 409 9 rr_1hfg 6
33
;assign (resid 43 and name HD# ) (resid 48 and name HN ) 4.0 2.2 2.5
assign (resid 43 and name HB1 ) (resid 26 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HB1 ) (resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 43 and name HD1# ) (resid 68 and name HN ) 3.0 1.2 0.5
assign (resid 43 and name HD2# ) (resid 28 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HD2# ) (resid 48 and name HN ) 4.0 2.2 1.0
Thr 44
;
423 1 439 9 rr_1hfg 6
34 "Lys 45" 451 1 451 9 rr_1hfg 6
35 "assign (resid 45 and name HG1 ) (resid 26 and name HN ) 4.0 2.2 1.0" 459 1 459 71 rr_1hfg 6
36 "Gly 47" 467 1 467 9 rr_1hfg 6
37 "Gln 49" 475 1 475 9 rr_1hfg 6
38 "Val 50" 489 1 489 9 rr_1hfg 6
39 "Cys 51" 503 1 503 9 rr_1hfg 6
40 "Ala 52" 521 1 521 9 rr_1hfg 6
41 "Val 59" 537 1 537 9 rr_1hfg 6
42 "assign (resid 59 and name HG2# ) (resid 54 and name HN ) 4.0 2.2 1.0" 547 1 547 71 rr_1hfg 6
43 "Leu 62" 553 1 553 9 rr_1hfg 6
44 "Met 63" 563 1 563 9 rr_1hfg 6
45 "Leu 66" 579 1 579 9 rr_1hfg 6
46
;Pro 67
assign (resid 67 and name HD2 ) (resid 28 and name HE1 ) 4.0 2.2 0.5
Val 68
;
619 1 627 9 rr_1hfg 6
47
;assign (resid 68 and name HG1# ) (resid 28 and name HE1 ) 3.0 1.2 0.5
assign (resid 68 and name HG1# ) (resid 28 and name HH2 ) 4.0 2.2 1.0
assign (resid 68 and name HG1# ) (resid 28 and name HZ2 ) 3.0 1.2 0.5
assign (resid 68 and name HG1# ) (resid 28 and name HZ3 ) 4.0 2.2 1.0
;
649 1 655 71 rr_1hfg 6
stop_
save_
save_CNS/XPLOR_distance_constraints_11_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_11_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 11
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 7
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1hfg 7
2 1 . . . rr_1hfg 7
3 1 . . . rr_1hfg 7
4 1 . . . rr_1hfg 7
5 1 . . . rr_1hfg 7
6 1 . . . rr_1hfg 7
7 1 . . . rr_1hfg 7
8 1 . . . rr_1hfg 7
9 1 . . . rr_1hfg 7
10 1 . . . rr_1hfg 7
11 1 . . . rr_1hfg 7
12 1 . . . rr_1hfg 7
13 1 . . . rr_1hfg 7
14 1 . . . rr_1hfg 7
15 1 . . . rr_1hfg 7
16 1 . . . rr_1hfg 7
17 1 . . . rr_1hfg 7
18 1 . . . rr_1hfg 7
19 1 . . . rr_1hfg 7
20 1 . . . rr_1hfg 7
21 1 . . . rr_1hfg 7
22 1 . . . rr_1hfg 7
23 1 . . . rr_1hfg 7
24 1 . . . rr_1hfg 7
25 1 . . . rr_1hfg 7
26 1 . . . rr_1hfg 7
27 1 . . . rr_1hfg 7
28 1 . . . rr_1hfg 7
29 1 . . . rr_1hfg 7
30 1 . . . rr_1hfg 7
31 1 . . . rr_1hfg 7
32 1 . . . rr_1hfg 7
33 1 . . . rr_1hfg 7
34 1 . . . rr_1hfg 7
35 1 . . . rr_1hfg 7
36 1 . . . rr_1hfg 7
37 1 . . . rr_1hfg 7
38 1 . . . rr_1hfg 7
39 1 . . . rr_1hfg 7
40 1 . . . rr_1hfg 7
41 1 . . . rr_1hfg 7
42 1 . . . rr_1hfg 7
43 1 . . . rr_1hfg 7
44 1 . . . rr_1hfg 7
45 1 . . . rr_1hfg 7
46 1 . . . rr_1hfg 7
47 1 . . . rr_1hfg 7
48 1 . . . rr_1hfg 7
49 1 . . . rr_1hfg 7
50 1 . . . rr_1hfg 7
51 1 . . . rr_1hfg 7
52 1 . . . rr_1hfg 7
53 1 . . . rr_1hfg 7
54 1 . . . rr_1hfg 7
55 1 . . . rr_1hfg 7
56 1 2 . OR rr_1hfg 7
56 2 . 3 . rr_1hfg 7
56 3 . . . rr_1hfg 7
57 1 . . . rr_1hfg 7
58 1 . . . rr_1hfg 7
59 1 . . . rr_1hfg 7
60 1 . . . rr_1hfg 7
61 1 . . . rr_1hfg 7
62 1 . . . rr_1hfg 7
63 1 . . . rr_1hfg 7
64 1 . . . rr_1hfg 7
65 1 . . . rr_1hfg 7
66 1 . . . rr_1hfg 7
67 1 . . . rr_1hfg 7
68 1 . . . rr_1hfg 7
69 1 . . . rr_1hfg 7
70 1 . . . rr_1hfg 7
71 1 . . . rr_1hfg 7
72 1 . . . rr_1hfg 7
73 1 . . . rr_1hfg 7
74 1 . . . rr_1hfg 7
75 1 . . . rr_1hfg 7
76 1 . . . rr_1hfg 7
77 1 . . . rr_1hfg 7
78 1 . . . rr_1hfg 7
79 1 . . . rr_1hfg 7
80 1 . . . rr_1hfg 7
81 1 . . . rr_1hfg 7
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1hfg 7
1 1 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_1hfg 7
2 1 . 1 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 7
2 1 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1hfg 7
3 1 . 1 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 7
3 1 . 2 . 1 1 22 22 GLN H H . . . . 22 . HN rr_1hfg 7
4 1 . 1 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 7
4 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 7
5 1 . 1 . 1 1 25 25 LEU H H . . . . 25 . HN rr_1hfg 7
5 1 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 7
6 1 . 1 . 1 1 27 27 SER H H . . . . 27 . HN rr_1hfg 7
6 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 7
7 1 . 1 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 7
7 1 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 7
8 1 . 1 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 7
8 1 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 7
9 1 . 1 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 7
9 1 . 2 . 1 1 36 36 SER H H . . . . 36 . HN rr_1hfg 7
10 1 . 1 . 1 1 46 46 ARG H H . . . . 46 . HN rr_1hfg 7
10 1 . 2 . 1 1 47 47 GLY H H . . . . 47 . HN rr_1hfg 7
11 1 . 1 . 1 1 47 47 GLY H H . . . . 47 . HN rr_1hfg 7
11 1 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 7
12 1 . 1 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 7
12 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 7
13 1 . 1 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 7
13 1 . 2 . 1 1 54 54 LYS H H . . . . 54 . HN rr_1hfg 7
14 1 . 1 . 1 1 56 56 LYS H H . . . . 56 . HN rr_1hfg 7
14 1 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 7
15 1 . 1 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 7
15 1 . 2 . 1 1 57 57 ASP H H . . . . 57 . HN rr_1hfg 7
16 1 . 1 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 7
16 1 . 2 . 1 1 58 58 TRP HD1 H . . . . 58 . HD1 rr_1hfg 7
17 1 . 1 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 7
17 1 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 7
18 1 . 1 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 7
18 1 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 7
19 1 . 1 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 7
19 1 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 7
20 1 . 1 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 7
20 1 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 7
21 1 . 1 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 7
21 1 . 2 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 7
22 1 . 1 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 7
22 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 7
23 1 . 1 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 7
23 1 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 7
24 1 . 1 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 7
24 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 7
25 1 . 1 . 1 1 70 70 ALA H H . . . . 70 . HN rr_1hfg 7
25 1 . 2 . 1 1 71 71 ARG H H . . . . 71 . HN rr_1hfg 7
26 1 . 1 . 1 1 3 3 ALA HA H . . . . 3 . HA rr_1hfg 7
26 1 . 2 . 1 1 4 4 SER H H . . . . 4 . HN rr_1hfg 7
27 1 . 1 . 1 1 4 4 SER HA H . . . . 4 . HA rr_1hfg 7
27 1 . 2 . 1 1 5 5 TRP H H . . . . 5 . HN rr_1hfg 7
28 1 . 1 . 1 1 5 5 TRP HA H . . . . 5 . HA rr_1hfg 7
28 1 . 2 . 1 1 6 6 HIS H H . . . . 6 . HN rr_1hfg 7
29 1 . 1 . 1 1 6 6 HIS HA H . . . . 6 . HA rr_1hfg 7
29 1 . 2 . 1 1 7 7 ARG H H . . . . 7 . HN rr_1hfg 7
30 1 . 1 . 1 1 8 8 PRO HA H . . . . 8 . HA rr_1hfg 7
30 1 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_1hfg 7
31 1 . 1 . 1 1 9 9 ASP HA H . . . . 9 . HA rr_1hfg 7
31 1 . 2 . 1 1 10 10 LYS H H . . . . 10 . HN rr_1hfg 7
32 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 . HA rr_1hfg 7
32 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1hfg 7
33 1 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1hfg 7
33 1 . 2 . 1 1 12 12 CYS H H . . . . 12 . HN rr_1hfg 7
34 1 . 1 . 1 1 12 12 CYS HA H . . . . 12 . HA rr_1hfg 7
34 1 . 2 . 1 1 13 13 LEU H H . . . . 13 . HN rr_1hfg 7
35 1 . 1 . 1 1 13 13 LEU HA H . . . . 13 . HA rr_1hfg 7
35 1 . 2 . 1 1 14 14 GLY H H . . . . 14 . HN rr_1hfg 7
36 1 . 1 . 1 1 14 14 GLY HA3 H . . . . 14 . HA1 rr_1hfg 7
36 1 . 2 . 1 1 15 15 TYR H H . . . . 15 . HN rr_1hfg 7
37 1 . 1 . 1 1 14 14 GLY HA2 H . . . . 14 . HA2 rr_1hfg 7
37 1 . 2 . 1 1 15 15 TYR H H . . . . 15 . HN rr_1hfg 7
38 1 . 1 . 1 1 15 15 TYR HA H . . . . 15 . HA rr_1hfg 7
38 1 . 2 . 1 1 16 16 GLN H H . . . . 16 . HN rr_1hfg 7
39 1 . 1 . 1 1 16 16 GLN HA H . . . . 16 . HA rr_1hfg 7
39 1 . 2 . 1 1 17 17 LYS H H . . . . 17 . HN rr_1hfg 7
40 1 . 1 . 1 1 17 17 LYS HA H . . . . 17 . HA rr_1hfg 7
40 1 . 2 . 1 1 18 18 ARG H H . . . . 18 . HN rr_1hfg 7
41 1 . 1 . 1 1 19 19 PRO HA H . . . . 19 . HA rr_1hfg 7
41 1 . 2 . 1 1 20 20 LEU H H . . . . 20 . HN rr_1hfg 7
42 1 . 1 . 1 1 21 21 PRO HA H . . . . 21 . HA rr_1hfg 7
42 1 . 2 . 1 1 22 22 GLN H H . . . . 22 . HN rr_1hfg 7
43 1 . 1 . 1 1 22 22 GLN HA H . . . . 22 . HA rr_1hfg 7
43 1 . 2 . 1 1 23 23 VAL H H . . . . 23 . HN rr_1hfg 7
44 1 . 1 . 1 1 23 23 VAL HA H . . . . 23 . HA rr_1hfg 7
44 1 . 2 . 1 1 24 24 LEU H H . . . . 24 . HN rr_1hfg 7
45 1 . 1 . 1 1 25 25 LEU HA H . . . . 25 . HA rr_1hfg 7
45 1 . 2 . 1 1 26 26 SER H H . . . . 26 . HN rr_1hfg 7
46 1 . 1 . 1 1 27 27 SER HA H . . . . 27 . HA rr_1hfg 7
46 1 . 2 . 1 1 28 28 TRP H H . . . . 28 . HN rr_1hfg 7
47 1 . 1 . 1 1 28 28 TRP HA H . . . . 28 . HA rr_1hfg 7
47 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 7
48 1 . 1 . 1 1 30 30 PRO HA H . . . . 30 . HA rr_1hfg 7
48 1 . 2 . 1 1 31 31 THR H H . . . . 31 . HN rr_1hfg 7
49 1 . 1 . 1 1 31 31 THR HA H . . . . 31 . HA rr_1hfg 7
49 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1hfg 7
50 1 . 1 . 1 1 32 32 SER HA H . . . . 32 . HA rr_1hfg 7
50 1 . 2 . 1 1 33 33 GLN H H . . . . 33 . HN rr_1hfg 7
51 1 . 1 . 1 1 33 33 GLN HA H . . . . 33 . HA rr_1hfg 7
51 1 . 2 . 1 1 34 34 LEU H H . . . . 34 . HN rr_1hfg 7
52 1 . 1 . 1 1 34 34 LEU HA H . . . . 34 . HA rr_1hfg 7
52 1 . 2 . 1 1 35 35 CYS H H . . . . 35 . HN rr_1hfg 7
53 1 . 1 . 1 1 35 35 CYS HA H . . . . 35 . HA rr_1hfg 7
53 1 . 2 . 1 1 36 36 SER H H . . . . 36 . HN rr_1hfg 7
54 1 . 1 . 1 1 36 36 SER HA H . . . . 36 . HA rr_1hfg 7
54 1 . 2 . 1 1 37 37 LYS H H . . . . 37 . HN rr_1hfg 7
55 1 . 1 . 1 1 38 38 PRO HA H . . . . 38 . HA rr_1hfg 7
55 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1hfg 7
56 2 . 1 . 1 1 39 39 GLY HA2 H . . . . 39 . HA# rr_1hfg 7
56 2 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 7
56 3 . 1 . 1 1 39 39 GLY HA3 H . . . . 39 . HA# rr_1hfg 7
56 3 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 7
57 1 . 1 . 1 1 40 40 VAL HA H . . . . 40 . HA rr_1hfg 7
57 1 . 2 . 1 1 41 41 ILE H H . . . . 41 . HN rr_1hfg 7
58 1 . 1 . 1 1 41 41 ILE HA H . . . . 41 . HA rr_1hfg 7
58 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 7
59 1 . 1 . 1 1 42 42 PHE HA H . . . . 42 . HA rr_1hfg 7
59 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 7
60 1 . 1 . 1 1 43 43 LEU HA H . . . . 43 . HA rr_1hfg 7
60 1 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 7
61 1 . 1 . 1 1 44 44 THR HA H . . . . 44 . HA rr_1hfg 7
61 1 . 2 . 1 1 45 45 LYS H H . . . . 45 . HN rr_1hfg 7
62 1 . 1 . 1 1 47 47 GLY HA3 H . . . . 47 . HA1 rr_1hfg 7
62 1 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 7
63 1 . 1 . 1 1 47 47 GLY HA2 H . . . . 47 . HA2 rr_1hfg 7
63 1 . 2 . 1 1 48 48 ARG H H . . . . 48 . HN rr_1hfg 7
64 1 . 1 . 1 1 48 48 ARG HA H . . . . 48 . HA rr_1hfg 7
64 1 . 2 . 1 1 49 49 GLN H H . . . . 49 . HN rr_1hfg 7
65 1 . 1 . 1 1 49 49 GLN HA H . . . . 49 . HA rr_1hfg 7
65 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 7
66 1 . 1 . 1 1 50 50 VAL HA H . . . . 50 . HA rr_1hfg 7
66 1 . 2 . 1 1 51 51 CYS H H . . . . 51 . HN rr_1hfg 7
67 1 . 1 . 1 1 51 51 CYS HA H . . . . 51 . HA rr_1hfg 7
67 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 7
68 1 . 1 . 1 1 52 52 ALA HA H . . . . 52 . HA rr_1hfg 7
68 1 . 2 . 1 1 53 53 ASP H H . . . . 53 . HN rr_1hfg 7
69 1 . 1 . 1 1 53 53 ASP HA H . . . . 53 . HA rr_1hfg 7
69 1 . 2 . 1 1 54 54 LYS H H . . . . 54 . HN rr_1hfg 7
70 1 . 1 . 1 1 54 54 LYS HA H . . . . 54 . HA rr_1hfg 7
70 1 . 2 . 1 1 55 55 SER H H . . . . 55 . HN rr_1hfg 7
71 1 . 1 . 1 1 55 55 SER HA H . . . . 55 . HA rr_1hfg 7
71 1 . 2 . 1 1 56 56 LYS H H . . . . 56 . HN rr_1hfg 7
72 1 . 1 . 1 1 56 56 LYS HA H . . . . 56 . HA rr_1hfg 7
72 1 . 2 . 1 1 57 57 ASP H H . . . . 57 . HN rr_1hfg 7
73 1 . 1 . 1 1 57 57 ASP HA H . . . . 57 . HA rr_1hfg 7
73 1 . 2 . 1 1 58 58 TRP H H . . . . 58 . HN rr_1hfg 7
74 1 . 1 . 1 1 58 58 TRP HA H . . . . 58 . HA rr_1hfg 7
74 1 . 2 . 1 1 59 59 VAL H H . . . . 59 . HN rr_1hfg 7
75 1 . 1 . 1 1 59 59 VAL HA H . . . . 59 . HA rr_1hfg 7
75 1 . 2 . 1 1 60 60 LYS H H . . . . 60 . HN rr_1hfg 7
76 1 . 1 . 1 1 60 60 LYS HA H . . . . 60 . HA rr_1hfg 7
76 1 . 2 . 1 1 61 61 LYS H H . . . . 61 . HN rr_1hfg 7
77 1 . 1 . 1 1 62 62 LEU HA H . . . . 62 . HA rr_1hfg 7
77 1 . 2 . 1 1 63 63 MET H H . . . . 63 . HN rr_1hfg 7
78 1 . 1 . 1 1 63 63 MET HA H . . . . 63 . HA rr_1hfg 7
78 1 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 7
79 1 . 1 . 1 1 64 64 GLN HA H . . . . 64 . HA rr_1hfg 7
79 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 7
80 1 . 1 . 1 1 65 65 GLN HA H . . . . 65 . HA rr_1hfg 7
80 1 . 2 . 1 1 66 66 LEU H H . . . . 66 . HN rr_1hfg 7
81 1 . 1 . 1 1 70 70 ALA HA H . . . . 70 . HA rr_1hfg 7
81 1 . 2 . 1 1 70 70 ALA H H . . . . 70 . HN rr_1hfg 7
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
2 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
3 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
4 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
5 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
6 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
7 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
8 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
9 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
10 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
11 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
12 1 . . . . . . 5.0 1.8 5.5 rr_1hfg 7
13 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
14 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
15 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
16 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
17 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
18 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
19 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
20 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
21 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
22 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
23 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
24 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
25 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
26 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
27 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
28 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
29 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
30 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
31 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
32 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
33 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
34 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
35 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
36 1 . . . . . . 2.4 1.6 2.9 rr_1hfg 7
37 1 . . . . . . 2.4 1.6 2.9 rr_1hfg 7
38 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
39 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
40 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
41 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
42 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
43 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
44 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
45 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
46 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
47 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
48 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
49 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
50 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
51 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
52 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
53 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
54 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
55 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
56 2 . . . . . . 3.0 1.8 4.0 rr_1hfg 7
56 3 . . . . . . 3.0 1.8 4.0 rr_1hfg 7
57 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
58 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
59 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
60 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
61 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
62 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
63 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
64 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
65 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
66 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
67 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
68 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
69 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
70 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
71 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
72 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
73 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
74 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
75 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
76 1 . . . . . . 4.0 1.8 4.5 rr_1hfg 7
77 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
78 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
79 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
80 1 . . . . . . 3.0 1.8 3.5 rr_1hfg 7
81 1 . . . . . . 2.4 1.8 2.9 rr_1hfg 7
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 HN(i)-HN(i+1) 1 1 1 16 rr_1hfg 7
2 HA(i)-HN(i+1) 57 1 57 16 rr_1hfg 7
3
;assign (resid 39 and name HA1 ) (resid 40 and name HN ) 3.0 1.2 0.5
assign (resid 39 and name HA2 ) (resid 40 and name HN ) 3.0 1.2 0.5
;
127 1 129 71 rr_1hfg 7
4 "assign (resid 67 and name HA ) (resid 68 and name HN ) 2.4 0.6 0.5" 181 1 181 71 rr_1hfg 7
5 HB(i)-HN(i+1) 187 1 187 16 rr_1hfg 7
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1hfg
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1hfg 8
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1hfg 8
2 1 . . . rr_1hfg 8
3 1 . . . rr_1hfg 8
4 1 . . . rr_1hfg 8
5 1 . . . rr_1hfg 8
6 1 . . . rr_1hfg 8
7 1 . . . rr_1hfg 8
8 1 . . . rr_1hfg 8
9 1 . . . rr_1hfg 8
10 1 . . . rr_1hfg 8
11 1 . . . rr_1hfg 8
12 1 . . . rr_1hfg 8
13 1 . . . rr_1hfg 8
14 1 . . . rr_1hfg 8
15 1 . . . rr_1hfg 8
16 1 . . . rr_1hfg 8
17 1 . . . rr_1hfg 8
18 1 . . . rr_1hfg 8
19 1 . . . rr_1hfg 8
20 1 . . . rr_1hfg 8
21 1 . . . rr_1hfg 8
22 1 . . . rr_1hfg 8
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 27 27 SER O O . . . . 27 . O rr_1hfg 8
1 1 . 2 . 1 1 43 43 LEU H H . . . . 43 . HN rr_1hfg 8
2 1 . 1 . 1 1 27 27 SER O O . . . . 27 . O rr_1hfg 8
2 1 . 2 . 1 1 43 43 LEU N N . . . . 43 . N rr_1hfg 8
3 1 . 1 . 1 1 29 29 TYR O O . . . . 29 . O rr_1hfg 8
3 1 . 2 . 1 1 41 41 ILE H H . . . . 41 . HN rr_1hfg 8
4 1 . 1 . 1 1 29 29 TYR O O . . . . 29 . O rr_1hfg 8
4 1 . 2 . 1 1 41 41 ILE N N . . . . 41 . N rr_1hfg 8
5 1 . 1 . 1 1 40 40 VAL O O . . . . 40 . O rr_1hfg 8
5 1 . 2 . 1 1 52 52 ALA H H . . . . 52 . HN rr_1hfg 8
6 1 . 1 . 1 1 40 40 VAL O O . . . . 40 . O rr_1hfg 8
6 1 . 2 . 1 1 52 52 ALA N N . . . . 52 . N rr_1hfg 8
7 1 . 1 . 1 1 42 42 PHE O O . . . . 42 . O rr_1hfg 8
7 1 . 2 . 1 1 50 50 VAL H H . . . . 50 . HN rr_1hfg 8
8 1 . 1 . 1 1 42 42 PHE O O . . . . 42 . O rr_1hfg 8
8 1 . 2 . 1 1 50 50 VAL N N . . . . 50 . N rr_1hfg 8
9 1 . 1 . 1 1 41 41 ILE O O . . . . 41 . O rr_1hfg 8
9 1 . 2 . 1 1 29 29 TYR H H . . . . 29 . HN rr_1hfg 8
10 1 . 1 . 1 1 41 41 ILE O O . . . . 41 . O rr_1hfg 8
10 1 . 2 . 1 1 29 29 TYR N N . . . . 29 . N rr_1hfg 8
11 1 . 1 . 1 1 48 48 ARG O O . . . . 48 . O rr_1hfg 8
11 1 . 2 . 1 1 44 44 THR H H . . . . 44 . HN rr_1hfg 8
12 1 . 1 . 1 1 48 48 ARG O O . . . . 48 . O rr_1hfg 8
12 1 . 2 . 1 1 44 44 THR N N . . . . 44 . N rr_1hfg 8
13 1 . 1 . 1 1 50 50 VAL O O . . . . 50 . O rr_1hfg 8
13 1 . 2 . 1 1 42 42 PHE H H . . . . 42 . HN rr_1hfg 8
14 1 . 1 . 1 1 50 50 VAL O O . . . . 50 . O rr_1hfg 8
14 1 . 2 . 1 1 42 42 PHE N N . . . . 42 . N rr_1hfg 8
15 1 . 1 . 1 1 52 52 ALA O O . . . . 52 . O rr_1hfg 8
15 1 . 2 . 1 1 40 40 VAL H H . . . . 40 . HN rr_1hfg 8
16 1 . 1 . 1 1 52 52 ALA O O . . . . 52 . O rr_1hfg 8
16 1 . 2 . 1 1 40 40 VAL N N . . . . 40 . N rr_1hfg 8
17 1 . 1 . 1 1 58 58 TRP O O . . . . 58 . O rr_1hfg 8
17 1 . 2 . 1 1 62 62 LEU H H . . . . 62 . HN rr_1hfg 8
18 1 . 1 . 1 1 58 58 TRP O O . . . . 58 . O rr_1hfg 8
18 1 . 2 . 1 1 62 62 LEU N N . . . . 62 . N rr_1hfg 8
19 1 . 1 . 1 1 60 60 LYS O O . . . . 60 . O rr_1hfg 8
19 1 . 2 . 1 1 64 64 GLN H H . . . . 64 . HN rr_1hfg 8
20 1 . 1 . 1 1 60 60 LYS O O . . . . 60 . O rr_1hfg 8
20 1 . 2 . 1 1 64 64 GLN N N . . . . 64 . N rr_1hfg 8
21 1 . 1 . 1 1 61 61 LYS O O . . . . 61 . O rr_1hfg 8
21 1 . 2 . 1 1 65 65 GLN H H . . . . 65 . HN rr_1hfg 8
22 1 . 1 . 1 1 61 61 LYS O O . . . . 61 . O rr_1hfg 8
22 1 . 2 . 1 1 65 65 GLN N N . . . . 65 . N rr_1hfg 8
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
2 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
3 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
4 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
5 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
6 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
7 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
8 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
9 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
10 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
11 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
12 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
13 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
14 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
15 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
16 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
17 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
18 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
19 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
20 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
21 1 . . . . . . 2.2 1.7 2.4 rr_1hfg 8
22 1 . . . . . . 3.3 2.5 3.5 rr_1hfg 8
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 H-BONDS 1 1 1 10 rr_1hfg 8
stop_
save_
save_CNS/XPLOR_dihedral_19
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_19
_Torsion_angle_constraint_list.Entry_ID rr_1hfg
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 19
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1hfg 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 21 21 PRO C C . . 1 1 22 22 GLN N N . . 1 1 22 22 GLN CA C . . 1 1 22 22 GLN C C . -100.0 -20.0 . . . A . 21 PRO C . . A . 22 GLN N . . A . 22 GLN CA . . A . 22 GLN C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . rr_1hfg 1
2 . . 1 1 22 22 GLN C C . . 1 1 23 23 VAL N N . . 1 1 23 23 VAL CA C . . 1 1 23 23 VAL C C . -100.0 -20.0 . . . A . 22 GLN C . . A . 23 VAL N . . A . 23 VAL CA . . A . 23 VAL C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . rr_1hfg 1
3 . . 1 1 25 25 LEU C C . . 1 1 26 26 SER N N . . 1 1 26 26 SER CA C . . 1 1 26 26 SER C C . -160.0 -80.0 . . . A . 25 LEU C . . A . 26 SER N . . A . 26 SER CA . . A . 26 SER C . . . 25 . C . . . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . rr_1hfg 1
4 . . 1 1 25 25 LEU C C . . 1 1 26 26 SER N N . . 1 1 26 26 SER CA C . . 1 1 26 26 SER C C . -160.0 -80.0 . . . A . 25 LEU C . . A . 26 SER N . . A . 26 SER CA . . A . 26 SER C . . . 25 . C . . . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . rr_1hfg 1
5 . . 1 1 27 27 SER C C . . 1 1 28 28 TRP N N . . 1 1 28 28 TRP CA C . . 1 1 28 28 TRP C C . -160.0 -80.0 . . . A . 27 SER C . . A . 28 TRP N . . A . 28 TRP CA . . A . 28 TRP C . . . 27 . C . . . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . rr_1hfg 1
6 . . 1 1 36 36 SER C C . . 1 1 37 37 LYS N N . . 1 1 37 37 LYS CA C . . 1 1 37 37 LYS C C . -170.0 -70.0 . . . A . 36 SER C . . A . 37 LYS N . . A . 37 LYS CA . . A . 37 LYS C . . . 36 . C . . . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . rr_1hfg 1
7 . . 1 1 39 39 GLY C C . . 1 1 40 40 VAL N N . . 1 1 40 40 VAL CA C . . 1 1 40 40 VAL C C . -170.0 -70.0 . . . A . 39 GLY C . . A . 40 VAL N . . A . 40 VAL CA . . A . 40 VAL C . . . 39 . C . . . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . rr_1hfg 1
8 . . 1 1 40 40 VAL C C . . 1 1 41 41 ILE N N . . 1 1 41 41 ILE CA C . . 1 1 41 41 ILE C C . -170.0 -70.0 . . . A . 40 VAL C . . A . 41 ILE N . . A . 41 ILE CA . . A . 41 ILE C . . . 40 . C . . . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . rr_1hfg 1
9 . . 1 1 41 41 ILE C C . . 1 1 42 42 PHE N N . . 1 1 42 42 PHE CA C . . 1 1 42 42 PHE C C . -170.0 -70.0 . . . A . 41 ILE C . . A . 42 PHE N . . A . 42 PHE CA . . A . 42 PHE C . . . 41 . C . . . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . rr_1hfg 1
10 . . 1 1 42 42 PHE C C . . 1 1 43 43 LEU N N . . 1 1 43 43 LEU CA C . . 1 1 43 43 LEU C C . -170.0 -70.0 . . . A . 42 PHE C . . A . 43 LEU N . . A . 43 LEU CA . . A . 43 LEU C . . . 42 . C . . . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . rr_1hfg 1
11 . . 1 1 46 46 ARG C C . . 1 1 47 47 GLY N N . . 1 1 47 47 GLY CA C . . 1 1 47 47 GLY C C . -100.0 -20.0 . . . A . 46 ARG C . . A . 47 GLY N . . A . 47 GLY CA . . A . 47 GLY C . . . 46 . C . . . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . rr_1hfg 1
12 . . 1 1 47 47 GLY C C . . 1 1 48 48 ARG N N . . 1 1 48 48 ARG CA C . . 1 1 48 48 ARG C C . -150.0 -90.0 . . . A . 47 GLY C . . A . 48 ARG N . . A . 48 ARG CA . . A . 48 ARG C . . . 47 . C . . . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . rr_1hfg 1
13 . . 1 1 48 48 ARG C C . . 1 1 49 49 GLN N N . . 1 1 49 49 GLN CA C . . 1 1 49 49 GLN C C . -170.0 -70.0 . . . A . 48 ARG C . . A . 49 GLN N . . A . 49 GLN CA . . A . 49 GLN C . . . 48 . C . . . . . 49 . N . . . . . 49 . CA . . . . . 49 . C . . rr_1hfg 1
14 . . 1 1 49 49 GLN C C . . 1 1 50 50 VAL N N . . 1 1 50 50 VAL CA C . . 1 1 50 50 VAL C C . -170.0 -70.0 . . . A . 49 GLN C . . A . 50 VAL N . . A . 50 VAL CA . . A . 50 VAL C . . . 49 . C . . . . . 50 . N . . . . . 50 . CA . . . . . 50 . C . . rr_1hfg 1
15 . . 1 1 51 51 CYS C C . . 1 1 52 52 ALA N N . . 1 1 52 52 ALA CA C . . 1 1 52 52 ALA C C . -170.0 -70.0 . . . A . 51 CYS C . . A . 52 ALA N . . A . 52 ALA CA . . A . 52 ALA C . . . 51 . C . . . . . 52 . N . . . . . 52 . CA . . . . . 52 . C . . rr_1hfg 1
16 . . 1 1 53 53 ASP C C . . 1 1 54 54 LYS N N . . 1 1 54 54 LYS CA C . . 1 1 54 54 LYS C C . -110.0 -10.0 . . . A . 53 ASP C . . A . 54 LYS N . . A . 54 LYS CA . . A . 54 LYS C . . . 53 . C . . . . . 54 . N . . . . . 54 . CA . . . . . 54 . C . . rr_1hfg 1
17 . . 1 1 56 56 LYS C C . . 1 1 57 57 ASP N N . . 1 1 57 57 ASP CA C . . 1 1 57 57 ASP C C . -110.0 -10.0 . . . A . 56 LYS C . . A . 57 ASP N . . A . 57 ASP CA . . A . 57 ASP C . . . 56 . C . . . . . 57 . N . . . . . 57 . CA . . . . . 57 . C . . rr_1hfg 1
18 . . 1 1 57 57 ASP C C . . 1 1 58 58 TRP N N . . 1 1 58 58 TRP CA C . . 1 1 58 58 TRP C C . -110.0 -10.0 . . . A . 57 ASP C . . A . 58 TRP N . . A . 58 TRP CA . . A . 58 TRP C . . . 57 . C . . . . . 58 . N . . . . . 58 . CA . . . . . 58 . C . . rr_1hfg 1
19 . . 1 1 59 59 VAL C C . . 1 1 60 60 LYS N N . . 1 1 60 60 LYS CA C . . 1 1 60 60 LYS C C . -110.0 -10.0 . . . A . 59 VAL C . . A . 60 LYS N . . A . 60 LYS CA . . A . 60 LYS C . . . 59 . C . . . . . 60 . N . . . . . 60 . CA . . . . . 60 . C . . rr_1hfg 1
20 . . 1 1 60 60 LYS C C . . 1 1 61 61 LYS N N . . 1 1 61 61 LYS CA C . . 1 1 61 61 LYS C C . -110.0 -10.0 . . . A . 60 LYS C . . A . 61 LYS N . . A . 61 LYS CA . . A . 61 LYS C . . . 60 . C . . . . . 61 . N . . . . . 61 . CA . . . . . 61 . C . . rr_1hfg 1
21 . . 1 1 61 61 LYS C C . . 1 1 62 62 LEU N N . . 1 1 62 62 LEU CA C . . 1 1 62 62 LEU C C . -110.0 -10.0 . . . A . 61 LYS C . . A . 62 LEU N . . A . 62 LEU CA . . A . 62 LEU C . . . 61 . C . . . . . 62 . N . . . . . 62 . CA . . . . . 62 . C . . rr_1hfg 1
22 . . 1 1 62 62 LEU C C . . 1 1 63 63 MET N N . . 1 1 63 63 MET CA C . . 1 1 63 63 MET C C . -110.0 -10.0 . . . A . 62 LEU C . . A . 63 MET N . . A . 63 MET CA . . A . 63 MET C . . . 62 . C . . . . . 63 . N . . . . . 63 . CA . . . . . 63 . C . . rr_1hfg 1
23 . . 1 1 11 11 CYS N N . . 1 1 11 11 CYS CA C . . 1 1 11 11 CYS CB C . . 1 1 11 11 CYS SG S . -100.0 -20.0 . . . A . 11 CYS N . . A . 11 CYS CA . . A . 11 CYS CB . . A . 11 CYS SG . . . 11 . N . . . . . 11 . CA . . . . . 11 . CB . . . . . 11 . SG . . rr_1hfg 1
24 . . 1 1 15 15 TYR N N . . 1 1 15 15 TYR CA C . . 1 1 15 15 TYR CB C . . 1 1 15 15 TYR CG C . -100.0 -20.0 . . . A . 15 TYR N . . A . 15 TYR CA . . A . 15 TYR CB . . A . 15 TYR CG . . . 15 . N . . . . . 15 . CA . . . . . 15 . CB . . . . . 15 . CG . . rr_1hfg 1
25 . . 1 1 16 16 GLN N N . . 1 1 16 16 GLN CA C . . 1 1 16 16 GLN CB C . . 1 1 16 16 GLN CG C . 140.0 220.0 . . . A . 16 GLN N . . A . 16 GLN CA . . A . 16 GLN CB . . A . 16 GLN CG . . . 16 . N . . . . . 16 . CA . . . . . 16 . CB . . . . . 16 . CG . . rr_1hfg 1
26 . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU CB C . . 1 1 20 20 LEU CG C . -100.0 -20.0 . . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU CB . . A . 20 LEU CG . . . 20 . N . . . . . 20 . CA . . . . . 20 . CB . . . . . 20 . CG . . rr_1hfg 1
27 . . 1 1 22 22 GLN N N . . 1 1 22 22 GLN CA C . . 1 1 22 22 GLN CB C . . 1 1 22 22 GLN CG C . 140.0 220.0 . . . A . 22 GLN N . . A . 22 GLN CA . . A . 22 GLN CB . . A . 22 GLN CG . . . 22 . N . . . . . 22 . CA . . . . . 22 . CB . . . . . 22 . CG . . rr_1hfg 1
28 . . 1 1 23 23 VAL N N . . 1 1 23 23 VAL CA C . . 1 1 23 23 VAL CB C . . 1 1 23 23 VAL CG1 C . 20.0 100.0 . . . A . 23 VAL N . . A . 23 VAL CA . . A . 23 VAL CB . . A . 23 VAL CG1 . . . 23 . N . . . . . 23 . CA . . . . . 23 . CB . . . . . 23 . CG1 . . rr_1hfg 1
29 . . 1 1 25 25 LEU N N . . 1 1 25 25 LEU CA C . . 1 1 25 25 LEU CB C . . 1 1 25 25 LEU CG C . 140.0 220.0 . . . A . 25 LEU N . . A . 25 LEU CA . . A . 25 LEU CB . . A . 25 LEU CG . . . 25 . N . . . . . 25 . CA . . . . . 25 . CB . . . . . 25 . CG . . rr_1hfg 1
30 . . 1 1 35 35 CYS N N . . 1 1 35 35 CYS CA C . . 1 1 35 35 CYS CB C . . 1 1 35 35 CYS SG S . -100.0 -20.0 . . . A . 35 CYS N . . A . 35 CYS CA . . A . 35 CYS CB . . A . 35 CYS SG . . . 35 . N . . . . . 35 . CA . . . . . 35 . CB . . . . . 35 . SG . . rr_1hfg 1
31 . . 1 1 40 40 VAL N N . . 1 1 40 40 VAL CA C . . 1 1 40 40 VAL CB C . . 1 1 40 40 VAL CG1 C . 140.0 220.0 . . . A . 40 VAL N . . A . 40 VAL CA . . A . 40 VAL CB . . A . 40 VAL CG1 . . . 40 . N . . . . . 40 . CA . . . . . 40 . CB . . . . . 40 . CG1 . . rr_1hfg 1
32 . . 1 1 41 41 ILE N N . . 1 1 41 41 ILE CA C . . 1 1 41 41 ILE CB C . . 1 1 41 41 ILE CG1 C . -100.0 -20.0 . . . A . 41 ILE N . . A . 41 ILE CA . . A . 41 ILE CB . . A . 41 ILE CG1 . . . 41 . N . . . . . 41 . CA . . . . . 41 . CB . . . . . 41 . CG1 . . rr_1hfg 1
33 . . 1 1 42 42 PHE N N . . 1 1 42 42 PHE CA C . . 1 1 42 42 PHE CB C . . 1 1 42 42 PHE CG C . -100.0 -20.0 . . . A . 42 PHE N . . A . 42 PHE CA . . A . 42 PHE CB . . A . 42 PHE CG . . . 42 . N . . . . . 42 . CA . . . . . 42 . CB . . . . . 42 . CG . . rr_1hfg 1
34 . . 1 1 45 45 LYS N N . . 1 1 45 45 LYS CA C . . 1 1 45 45 LYS CB C . . 1 1 45 45 LYS CG C . -100.0 -20.0 . . . A . 45 LYS N . . A . 45 LYS CA . . A . 45 LYS CB . . A . 45 LYS CG . . . 45 . N . . . . . 45 . CA . . . . . 45 . CB . . . . . 45 . CG . . rr_1hfg 1
35 . . 1 1 46 46 ARG N N . . 1 1 46 46 ARG CA C . . 1 1 46 46 ARG CB C . . 1 1 46 46 ARG CG C . 140.0 220.0 . . . A . 46 ARG N . . A . 46 ARG CA . . A . 46 ARG CB . . A . 46 ARG CG . . . 46 . N . . . . . 46 . CA . . . . . 46 . CB . . . . . 46 . CG . . rr_1hfg 1
36 . . 1 1 48 48 ARG N N . . 1 1 48 48 ARG CA C . . 1 1 48 48 ARG CB C . . 1 1 48 48 ARG CG C . -100.0 -20.0 . . . A . 48 ARG N . . A . 48 ARG CA . . A . 48 ARG CB . . A . 48 ARG CG . . . 48 . N . . . . . 48 . CA . . . . . 48 . CB . . . . . 48 . CG . . rr_1hfg 1
37 . . 1 1 49 49 GLN N N . . 1 1 49 49 GLN CA C . . 1 1 49 49 GLN CB C . . 1 1 49 49 GLN CG C . -100.0 -20.0 . . . A . 49 GLN N . . A . 49 GLN CA . . A . 49 GLN CB . . A . 49 GLN CG . . . 49 . N . . . . . 49 . CA . . . . . 49 . CB . . . . . 49 . CG . . rr_1hfg 1
38 . . 1 1 50 50 VAL N N . . 1 1 50 50 VAL CA C . . 1 1 50 50 VAL CB C . . 1 1 50 50 VAL CG1 C . 140.0 220.0 . . . A . 50 VAL N . . A . 50 VAL CA . . A . 50 VAL CB . . A . 50 VAL CG1 . . . 50 . N . . . . . 50 . CA . . . . . 50 . CB . . . . . 50 . CG1 . . rr_1hfg 1
39 . . 1 1 51 51 CYS N N . . 1 1 51 51 CYS CA C . . 1 1 51 51 CYS CB C . . 1 1 51 51 CYS SG S . -100.0 -20.0 . . . A . 51 CYS N . . A . 51 CYS CA . . A . 51 CYS CB . . A . 51 CYS SG . . . 51 . N . . . . . 51 . CA . . . . . 51 . CB . . . . . 51 . SG . . rr_1hfg 1
40 . . 1 1 53 53 ASP N N . . 1 1 53 53 ASP CA C . . 1 1 53 53 ASP CB C . . 1 1 53 53 ASP CG C . -100.0 -20.0 . . . A . 53 ASP N . . A . 53 ASP CA . . A . 53 ASP CB . . A . 53 ASP CG . . . 53 . N . . . . . 53 . CA . . . . . 53 . CB . . . . . 53 . CG . . rr_1hfg 1
41 . . 1 1 58 58 TRP N N . . 1 1 58 58 TRP CA C . . 1 1 58 58 TRP CB C . . 1 1 58 58 TRP CG C . 20.0 100.0 . . . A . 58 TRP N . . A . 58 TRP CA . . A . 58 TRP CB . . A . 58 TRP CG . . . 58 . N . . . . . 58 . CA . . . . . 58 . CB . . . . . 58 . CG . . rr_1hfg 1
42 . . 1 1 59 59 VAL N N . . 1 1 59 59 VAL CA C . . 1 1 59 59 VAL CB C . . 1 1 59 59 VAL CG1 C . 140.0 220.0 . . . A . 59 VAL N . . A . 59 VAL CA . . A . 59 VAL CB . . A . 59 VAL CG1 . . . 59 . N . . . . . 59 . CA . . . . . 59 . CB . . . . . 59 . CG1 . . rr_1hfg 1
43 . . 1 1 62 62 LEU N N . . 1 1 62 62 LEU CA C . . 1 1 62 62 LEU CB C . . 1 1 62 62 LEU CG C . -100.0 -20.0 . . . A . 62 LEU N . . A . 62 LEU CA . . A . 62 LEU CB . . A . 62 LEU CG . . . 62 . N . . . . . 62 . CA . . . . . 62 . CB . . . . . 62 . CG . . rr_1hfg 1
44 . . 1 1 66 66 LEU N N . . 1 1 66 66 LEU CA C . . 1 1 66 66 LEU CB C . . 1 1 66 66 LEU CG C . -100.0 -20.0 . . . A . 66 LEU N . . A . 66 LEU CA . . A . 66 LEU CB . . A . 66 LEU CG . . . 66 . N . . . . . 66 . CA . . . . . 66 . CB . . . . . 66 . CG . . rr_1hfg 1
45 . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU CB C . . 1 1 20 20 LEU CG C . . 1 1 20 20 LEU CD1 C . 120.0 240.0 . . . A . 20 LEU CA . . A . 20 LEU CB . . A . 20 LEU CG . . A . 20 LEU CD1 . . . 20 . CA . . . . . 20 . CB . . . . . 20 . CG . . . . . 20 . CD1 . . rr_1hfg 1
46 . . 1 1 25 25 LEU CA C . . 1 1 25 25 LEU CB C . . 1 1 25 25 LEU CG C . . 1 1 25 25 LEU CD1 C . 0.0 120.0 . . . A . 25 LEU CA . . A . 25 LEU CB . . A . 25 LEU CG . . A . 25 LEU CD1 . . . 25 . CA . . . . . 25 . CB . . . . . 25 . CG . . . . . 25 . CD1 . . rr_1hfg 1
47 . . 1 1 62 62 LEU CA C . . 1 1 62 62 LEU CB C . . 1 1 62 62 LEU CG C . . 1 1 62 62 LEU CD1 C . 120.0 240.0 . . . A . 62 LEU CA . . A . 62 LEU CB . . A . 62 LEU CG . . A . 62 LEU CD1 . . . 62 . CA . . . . . 62 . CB . . . . . 62 . CG . . . . . 62 . CD1 . . rr_1hfg 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "phi restraints" 1 1 1 17 rr_1hfg 1
2 "Chi-1 values" 95 1 95 15 rr_1hfg 1
3
;assign (resid 68 and name n ) (resid 68 and name ca )
(resid 68 and name cb) (resid 68 and name cg1) 1.0 60 40 2
Chi-2 values
;
185 1 191 15 rr_1hfg 1
stop_
save_
save_MR_file_comment_20
_Org_constr_file_comment.Sf_framecode MR_file_comment_20
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 11
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 20
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "end set message=on echo=on end"
save_
save_MR_file_comment_18
_Org_constr_file_comment.Sf_framecode MR_file_comment_18
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 10
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 18
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "set message=on echo=on end restraints dihedral reset !"
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;*HEADER CHEMOKINE 01-DEC-00 1HFG
*TITLE NMR SOLUTION STRUCTURES OF THE VMIP-II 1-71 PEPTIDE FROM
*TITLE 2 KAPOSI'S SARCOMA-ASSOCIATED HERPESVIRUS.
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
*COMPND 3 SYNONYM: VMIP-II, VMIP-1B;
*COMPND 4 CHAIN: A;
*COMPND 5 FRAGMENT: RESIDUES 1-71
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: KAPOSI'S SARCOMA-ASSOCIATED
*SOURCE 4 HERPESVIRUS;
*SOURCE 5 ORGANISM_COMMON: HUMAN HERPESVIRUS 8
*KEYWDS CHEMOKINE, CXCR4, ANATAGONIST, VMIP-II
*EXPDTA NMR, MINIMISED AVERAGE STRUCTURE
*AUTHOR M.P.CRUMP,E.ELISSEEVA,J.H.GONG,I.CLARK-LEWIS,B.D.SYKES
*REVDAT 1 07-JAN-01 1HFG 0
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_framecode MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas long"
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_framecode MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas hbond"
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_framecode MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas short"
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_framecode MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas average"
save_
save_MR_file_comment_12
_Org_constr_file_comment.Sf_framecode MR_file_comment_12
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 12
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "! 3 to 4 not observed at 30C ! 4 to 5 not observed at 30C ! 5 to 6 Very weak at 30C"
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_framecode MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas seq"
save_
save_MR_file_comment_16
_Org_constr_file_comment.Sf_framecode MR_file_comment_16
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 9
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 16
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas intra"
save_
save_MR_file_comment_14
_Org_constr_file_comment.Sf_framecode MR_file_comment_14
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1hfg
_Org_constr_file_comment.ID 8
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 14
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "! 8 to 9 not observed at 30C"
save_
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