NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568178 |
2m6f   |
19131 | cing | 3-converted-DOCR | STAR | entry | full | 52 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2m6f
# This DOCR archive file contains, for PDB entry <2m6f>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2m6f
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2m6f"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2m6f"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2m6f "Master copy" rr_2m6f
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2m6f
_Assembly.ID 1
_Assembly.Name 2m6f
_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 937.1165
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 "Contryphan In" 1 $Contryphan_In A . no . . . . . . rr_2m6f 1
stop_
save_
save_Contryphan_In
_Entity.Sf_category entity
_Entity.Sf_framecode Contryphan_In
_Entity.Entry_ID rr_2m6f
_Entity.ID 1
_Entity.Name Contryphan_In
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code GCVXYPWC
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 8
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 937.1165
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 . GLY . rr_2m6f 1
2 . CYS . rr_2m6f 1
3 . VAL . rr_2m6f 1
4 . . . rr_2m6f 1
5 . TYR . rr_2m6f 1
6 . PRO . rr_2m6f 1
7 . TRP . rr_2m6f 1
8 . CYS . rr_2m6f 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
. GLY 1 1 rr_2m6f 1
. CYS 2 2 rr_2m6f 1
. VAL 3 3 rr_2m6f 1
. . 4 4 rr_2m6f 1
. TYR 5 5 rr_2m6f 1
. PRO 6 6 rr_2m6f 1
. TRP 7 7 rr_2m6f 1
. CYS 8 8 rr_2m6f 1
stop_
save_
save_chem_comp_DLE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DLE
_Chem_comp.Entry_ID rr_2m6f
_Chem_comp.ID 1
_Chem_comp.Name Dle
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H11 N O"
_Chem_comp.Formula_weight 113.159
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2m6f
_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 10
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_2m6f
_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_2m6f 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_2m6f 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 GLY C C 3.540 0.320 -1.048 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 1 . 2 . 1 1 1 GLY CA C 2.071 0.001 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 1 . 3 . 1 1 1 GLY H1 H 1.811 -0.001 0.854 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 1 . 4 . 1 1 1 GLY HA2 H 1.984 -0.972 -1.706 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 1 . 5 . 1 1 1 GLY HA3 H 1.641 0.739 -1.908 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 1 . 6 . 1 1 1 GLY N N 1.330 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 1 . 7 . 1 1 1 GLY O O 3.973 0.619 0.065 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 1 . 8 . 1 1 2 CYS C C 6.095 1.732 -2.947 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 1 . 9 . 1 1 2 CYS CA C 5.739 0.536 -2.069 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 1 . 10 . 1 1 2 CYS CB C 6.541 -0.691 -2.510 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 1 . 11 . 1 1 2 CYS H H 3.907 0.010 -2.990 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 1 . 12 . 1 1 2 CYS HA H 5.989 0.769 -1.045 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 1 . 13 . 1 1 2 CYS HB2 H 5.965 -1.246 -3.236 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 1 . 14 . 1 1 2 CYS HB3 H 7.464 -0.363 -2.964 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 1 . 15 . 1 1 2 CYS N N 4.310 0.254 -2.129 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 1 . 16 . 1 1 2 CYS O O 6.561 1.571 -4.075 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 1 . 17 . 1 1 2 CYS SG S 6.963 -1.830 -1.152 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 1 . 18 . 1 1 3 VAL C C 7.630 4.193 -3.593 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 1 . 19 . 1 1 3 VAL CA C 6.170 4.156 -3.155 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 1 . 20 . 1 1 3 VAL CB C 5.868 5.407 -2.308 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 1 . 21 . 1 1 3 VAL CG1 C 4.367 5.609 -2.171 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 1 . 22 . 1 1 3 VAL CG2 C 6.526 5.295 -0.941 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 1 . 23 . 1 1 3 VAL H H 5.499 2.996 -1.517 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 1 . 24 . 1 1 3 VAL HA H 5.540 4.181 -4.033 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 1 . 25 . 1 1 3 VAL HB H 6.280 6.267 -2.814 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 1 . 26 . 1 1 3 VAL HG11 H 3.997 6.152 -3.029 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 1 . 27 . 1 1 3 VAL HG12 H 3.877 4.648 -2.114 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 1 . 28 . 1 1 3 VAL HG13 H 4.160 6.172 -1.273 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 1 . 29 . 1 1 3 VAL HG21 H 5.764 5.235 -0.179 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 1 . 30 . 1 1 3 VAL HG22 H 7.140 4.406 -0.908 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 1 . 31 . 1 1 3 VAL HG23 H 7.143 6.164 -0.767 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 1 . 32 . 1 1 3 VAL N N 5.872 2.932 -2.421 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 1 . 33 . 1 1 3 VAL O O 8.516 4.166 -2.740 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 1 . 34 . 1 1 4 . C C 9.590 2.897 -5.922 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 1 . 35 . 1 1 4 . CA C 9.199 4.292 -5.431 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 1 . 36 . 1 1 4 . CB C 9.321 5.378 -6.502 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 1 . 37 . 1 1 4 . CD1 C 7.971 7.504 -6.647 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 1 . 38 . 1 1 4 . CD2 C 10.476 7.606 -6.256 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 1 . 39 . 1 1 4 . CG C 9.185 6.821 -6.013 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 1 . 40 . 1 1 4 . H H 7.121 4.273 -5.586 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 1 . 41 . 1 1 4 . HA H 9.864 4.570 -4.614 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 1 . 42 . 1 1 4 . HB2 H 8.558 5.200 -7.261 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 1 . 43 . 1 1 4 . HB3 H 10.289 5.271 -6.992 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 1 . 44 . 1 1 4 . HD11 H 7.663 8.345 -6.026 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 1 . 45 . 1 1 4 . HD12 H 7.152 6.789 -6.723 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 1 . 46 . 1 1 4 . HD13 H 8.235 7.863 -7.642 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 1 . 47 . 1 1 4 . HD21 H 10.645 7.704 -7.328 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 1 . 48 . 1 1 4 . HD22 H 11.314 7.077 -5.803 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 1 . 49 . 1 1 4 . HD23 H 10.388 8.597 -5.810 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 1 . 50 . 1 1 4 . HG H 9.018 6.803 -4.936 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 1 . 51 . 1 1 4 . N N 7.847 4.252 -4.899 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 1 . 52 . 1 1 4 . O O 10.274 2.729 -6.932 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 1 . 53 . 1 1 5 TYR C C 8.159 -0.228 -5.944 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 1 . 54 . 1 1 5 TYR CA C 9.427 0.504 -5.515 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 1 . 55 . 1 1 5 TYR CB C 10.061 -0.210 -4.319 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 1 . 56 . 1 1 5 TYR CD1 C 12.230 0.954 -3.756 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 1 . 57 . 1 1 5 TYR CD2 C 10.362 1.299 -2.317 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 1 . 58 . 1 1 5 TYR CE1 C 13.001 1.782 -2.963 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 1 . 59 . 1 1 5 TYR CE2 C 11.125 2.130 -1.518 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 1 . 60 . 1 1 5 TYR CG C 10.900 0.698 -3.448 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 1 . 61 . 1 1 5 TYR CZ C 12.443 2.367 -1.845 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 1 . 62 . 1 1 5 TYR H H 8.598 2.090 -4.386 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 1 . 63 . 1 1 5 TYR HA H 10.128 0.500 -6.337 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 1 . 64 . 1 1 5 TYR HB2 H 9.281 -0.630 -3.704 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 1 . 65 . 1 1 5 TYR HB3 H 10.697 -1.005 -4.680 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 1 . 66 . 1 1 5 TYR HD1 H 12.664 0.494 -4.633 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 1 . 67 . 1 1 5 TYR HD2 H 9.329 1.111 -2.064 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 1 . 68 . 1 1 5 TYR HE1 H 14.033 1.969 -3.219 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 1 . 69 . 1 1 5 TYR HE2 H 10.689 2.588 -0.643 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 1 . 70 . 1 1 5 TYR HH H 13.048 2.987 -0.129 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 1 . 71 . 1 1 5 TYR N N 9.138 1.893 -5.180 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 1 . 72 . 1 1 5 TYR O O 7.555 -0.979 -5.178 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 1 . 73 . 1 1 5 TYR OH O 13.207 3.194 -1.053 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 1 . 74 . 1 1 6 PRO C C 6.729 -2.134 -7.983 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 1 . 75 . 1 1 6 PRO CA C 6.548 -0.636 -7.763 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 1 . 76 . 1 1 6 PRO CB C 6.365 0.083 -9.102 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 1 . 77 . 1 1 6 PRO CD C 8.418 0.876 -8.170 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 1 . 78 . 1 1 6 PRO CG C 7.729 0.556 -9.468 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 1 . 79 . 1 1 6 PRO HA H 5.682 -0.467 -7.140 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 1 . 80 . 1 1 6 PRO HB2 H 5.976 -0.610 -9.835 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 1 . 81 . 1 1 6 PRO HB3 H 5.680 0.908 -8.981 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 1 . 82 . 1 1 6 PRO HD2 H 9.471 0.646 -8.235 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 1 . 83 . 1 1 6 PRO HD3 H 8.272 1.914 -7.911 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 1 . 84 . 1 1 6 PRO HG2 H 8.260 -0.223 -9.992 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 1 . 85 . 1 1 6 PRO HG3 H 7.657 1.442 -10.082 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 1 . 86 . 1 1 6 PRO N N 7.746 -0.006 -7.201 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 1 . 87 . 1 1 6 PRO O O 5.783 -2.837 -8.340 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 1 . 88 . 1 1 7 TRP C C 8.157 -4.776 -6.615 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 1 . 89 . 1 1 7 TRP CA C 8.252 -4.031 -7.942 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 1 . 90 . 1 1 7 TRP CB C 9.649 -4.204 -8.540 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 1 . 91 . 1 1 7 TRP CD1 C 11.327 -4.023 -6.611 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 1 . 92 . 1 1 7 TRP CD2 C 11.325 -2.264 -7.998 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 1 . 93 . 1 1 7 TRP CE2 C 12.283 -2.041 -6.990 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 1 . 94 . 1 1 7 TRP CE3 C 11.147 -1.292 -8.986 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 1 . 95 . 1 1 7 TRP CG C 10.725 -3.538 -7.737 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 1 . 96 . 1 1 7 TRP CH2 C 12.864 0.050 -7.923 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 1 . 97 . 1 1 7 TRP CZ2 C 13.058 -0.885 -6.943 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 1 . 98 . 1 1 7 TRP CZ3 C 11.917 -0.146 -8.938 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 1 . 99 . 1 1 7 TRP H H 8.660 -2.005 -7.484 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 1 . 100 . 1 1 7 TRP HA H 7.524 -4.444 -8.626 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 1 . 101 . 1 1 7 TRP HB2 H 9.881 -5.257 -8.599 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 1 . 102 . 1 1 7 TRP HB3 H 9.662 -3.780 -9.533 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 1 . 103 . 1 1 7 TRP HD1 H 11.088 -4.972 -6.155 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 1 . 104 . 1 1 7 TRP HE1 H 12.829 -3.249 -5.364 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 1 . 105 . 1 1 7 TRP HE3 H 10.423 -1.425 -9.776 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 1 . 106 . 1 1 7 TRP HH2 H 13.442 0.961 -7.925 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 1 . 107 . 1 1 7 TRP HZ2 H 13.792 -0.720 -6.168 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 1 . 108 . 1 1 7 TRP HZ3 H 11.794 0.617 -9.693 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 1 . 109 . 1 1 7 TRP N N 7.948 -2.616 -7.768 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 1 . 110 . 1 1 7 TRP NE1 N 12.264 -3.127 -6.156 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 1 . 111 . 1 1 7 TRP O O 8.869 -5.756 -6.389 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 1 . 112 . 1 1 8 CYS C C 6.046 -6.040 -4.506 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 1 . 113 . 1 1 8 CYS CA C 7.088 -4.928 -4.434 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 1 . 114 . 1 1 8 CYS CB C 6.661 -3.880 -3.404 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 1 . 115 . 1 1 8 CYS H H 6.736 -3.522 -5.977 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 1 . 116 . 1 1 8 CYS HA H 8.031 -5.354 -4.131 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 1 . 117 . 1 1 8 CYS HB2 H 6.087 -3.111 -3.900 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 1 . 118 . 1 1 8 CYS HB3 H 6.045 -4.354 -2.654 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 1 . 119 . 1 1 8 CYS N N 7.275 -4.306 -5.739 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 1 . 120 . 1 1 8 CYS O O 6.378 -7.200 -4.751 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 1 . 121 . 1 1 8 CYS SG S 8.050 -3.068 -2.550 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 2 . 122 . 1 1 1 GLY C C 3.562 0.274 -1.004 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 2 . 123 . 1 1 1 GLY CA C 2.094 -0.051 -1.197 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 2 . 124 . 1 1 1 GLY H1 H 0.614 1.009 -0.115 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 2 . 125 . 1 1 1 GLY HA2 H 1.834 -0.885 -0.564 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 2 . 126 . 1 1 1 GLY HA3 H 1.932 -0.331 -2.228 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 2 . 127 . 1 1 1 GLY N N 1.230 1.070 -0.875 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 2 . 128 . 1 1 1 GLY O O 3.998 0.573 0.108 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 2 . 129 . 1 1 2 CYS C C 6.102 1.703 -2.910 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 2 . 130 . 1 1 2 CYS CA C 5.755 0.503 -2.033 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 2 . 131 . 1 1 2 CYS CB C 6.561 -0.719 -2.480 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 2 . 132 . 1 1 2 CYS H H 3.922 -0.030 -2.947 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 2 . 133 . 1 1 2 CYS HA H 6.008 0.735 -1.010 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 2 . 134 . 1 1 2 CYS HB2 H 5.984 -1.275 -3.205 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 2 . 135 . 1 1 2 CYS HB3 H 7.481 -0.386 -2.938 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 2 . 136 . 1 1 2 CYS N N 4.327 0.215 -2.088 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 2 . 137 . 1 1 2 CYS O O 6.563 1.546 -4.041 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 2 . 138 . 1 1 2 CYS SG S 6.994 -1.859 -1.126 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 2 . 139 . 1 1 3 VAL C C 7.625 4.171 -3.557 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 2 . 140 . 1 1 3 VAL CA C 6.167 4.127 -3.113 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 2 . 141 . 1 1 3 VAL CB C 5.863 5.375 -2.262 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 2 . 142 . 1 1 3 VAL CG1 C 4.361 5.570 -2.117 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 2 . 143 . 1 1 3 VAL CG2 C 6.528 5.263 -0.898 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 2 . 144 . 1 1 3 VAL H H 5.508 2.961 -1.474 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 2 . 145 . 1 1 3 VAL HA H 5.533 4.151 -3.988 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 2 . 146 . 1 1 3 VAL HB H 6.269 6.238 -2.767 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 2 . 147 . 1 1 3 VAL HG11 H 3.997 6.174 -2.936 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 2 . 148 . 1 1 3 VAL HG12 H 3.870 4.608 -2.131 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 2 . 149 . 1 1 3 VAL HG13 H 4.151 6.068 -1.182 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 2 . 150 . 1 1 3 VAL HG21 H 5.769 5.204 -0.132 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 2 . 151 . 1 1 3 VAL HG22 H 7.141 4.374 -0.867 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 2 . 152 . 1 1 3 VAL HG23 H 7.146 6.132 -0.726 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 2 . 153 . 1 1 3 VAL N N 5.877 2.901 -2.380 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 2 . 154 . 1 1 3 VAL O O 8.514 4.147 -2.707 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 2 . 155 . 1 1 4 . C C 9.581 2.889 -5.897 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 2 . 156 . 1 1 4 . CA C 9.185 4.282 -5.401 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 2 . 157 . 1 1 4 . CB C 9.298 5.370 -6.470 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 2 . 158 . 1 1 4 . CD1 C 7.939 7.490 -6.605 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 2 . 159 . 1 1 4 . CD2 C 10.444 7.603 -6.223 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 2 . 160 . 1 1 4 . CG C 9.158 6.812 -5.977 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 2 . 161 . 1 1 4 . H H 7.107 4.254 -5.547 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 2 . 162 . 1 1 4 . HA H 9.853 4.561 -4.586 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 2 . 163 . 1 1 4 . HB2 H 8.533 5.190 -7.226 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 2 . 164 . 1 1 4 . HB3 H 10.264 5.268 -6.964 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 2 . 165 . 1 1 4 . HD11 H 7.033 6.967 -6.298 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 2 . 166 . 1 1 4 . HD12 H 8.025 7.460 -7.692 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 2 . 167 . 1 1 4 . HD13 H 7.889 8.527 -6.274 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 2 . 168 . 1 1 4 . HD21 H 10.473 8.466 -5.559 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 2 . 169 . 1 1 4 . HD22 H 10.470 7.941 -7.259 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 2 . 170 . 1 1 4 . HD23 H 11.306 6.965 -6.028 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 2 . 171 . 1 1 4 . HG H 8.994 6.790 -4.900 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 2 . 172 . 1 1 4 . N N 7.836 4.235 -4.863 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 2 . 173 . 1 1 4 . O O 10.261 2.726 -6.910 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 2 . 174 . 1 1 5 TYR C C 8.163 -0.242 -5.920 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 2 . 175 . 1 1 5 TYR CA C 9.429 0.494 -5.494 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 2 . 176 . 1 1 5 TYR CB C 10.071 -0.219 -4.303 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 2 . 177 . 1 1 5 TYR CD1 C 12.237 0.954 -3.747 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 2 . 178 . 1 1 5 TYR CD2 C 10.375 1.285 -2.297 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 2 . 179 . 1 1 5 TYR CE1 C 13.008 1.783 -2.955 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 2 . 180 . 1 1 5 TYR CE2 C 11.137 2.117 -1.500 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 2 . 181 . 1 1 5 TYR CG C 10.910 0.690 -3.433 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 2 . 182 . 1 1 5 TYR CZ C 12.453 2.363 -1.833 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 2 . 183 . 1 1 5 TYR H H 8.597 2.075 -4.359 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 2 . 184 . 1 1 5 TYR HA H 10.127 0.495 -6.319 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 2 . 185 . 1 1 5 TYR HB2 H 9.295 -0.644 -3.685 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 2 . 186 . 1 1 5 TYR HB3 H 10.709 -1.011 -4.667 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 2 . 187 . 1 1 5 TYR HD1 H 12.669 0.499 -4.627 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 2 . 188 . 1 1 5 TYR HD2 H 9.344 1.089 -2.038 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 2 . 189 . 1 1 5 TYR HE1 H 14.038 1.977 -3.215 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 2 . 190 . 1 1 5 TYR HE2 H 10.703 2.570 -0.621 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 2 . 191 . 1 1 5 TYR HH H 13.953 3.532 -1.552 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 2 . 192 . 1 1 5 TYR N N 9.135 1.882 -5.155 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 2 . 193 . 1 1 5 TYR O O 7.565 -0.997 -5.153 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 2 . 194 . 1 1 5 TYR OH O 13.216 3.190 -1.041 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 2 . 195 . 1 1 6 PRO C C 6.733 -2.150 -7.957 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 2 . 196 . 1 1 6 PRO CA C 6.546 -0.653 -7.733 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 2 . 197 . 1 1 6 PRO CB C 6.354 0.068 -9.070 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 2 . 198 . 1 1 6 PRO CD C 8.408 0.868 -8.144 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 2 . 199 . 1 1 6 PRO CG C 7.715 0.548 -9.440 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 2 . 200 . 1 1 6 PRO HA H 5.681 -0.489 -7.107 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 2 . 201 . 1 1 6 PRO HB2 H 5.966 -0.625 -9.803 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 2 . 202 . 1 1 6 PRO HB3 H 5.666 0.890 -8.944 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 2 . 203 . 1 1 6 PRO HD2 H 9.462 0.643 -8.215 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 2 . 204 . 1 1 6 PRO HD3 H 8.258 1.905 -7.882 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 2 . 205 . 1 1 6 PRO HG2 H 8.247 -0.228 -9.968 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 2 . 206 . 1 1 6 PRO HG3 H 7.637 1.435 -10.052 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 2 . 207 . 1 1 6 PRO N N 7.744 -0.019 -7.175 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 2 . 208 . 1 1 6 PRO O O 5.789 -2.856 -8.312 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 2 . 209 . 1 1 7 TRP C C 8.178 -4.789 -6.601 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 2 . 210 . 1 1 7 TRP CA C 8.264 -4.041 -7.927 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 2 . 211 . 1 1 7 TRP CB C 9.659 -4.206 -8.531 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 2 . 212 . 1 1 7 TRP CD1 C 11.336 -4.020 -6.601 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 2 . 213 . 1 1 7 TRP CD2 C 11.338 -2.267 -7.995 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 2 . 214 . 1 1 7 TRP CE2 C 12.297 -2.041 -6.988 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 2 . 215 . 1 1 7 TRP CE3 C 11.163 -1.298 -8.987 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 2 . 216 . 1 1 7 TRP CG C 10.736 -3.538 -7.730 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 2 . 217 . 1 1 7 TRP CH2 C 12.881 0.045 -7.929 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 2 . 218 . 1 1 7 TRP CZ2 C 13.074 -0.887 -6.945 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 2 . 219 . 1 1 7 TRP CZ3 C 11.935 -0.153 -8.943 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 2 . 220 . 1 1 7 TRP H H 8.665 -2.013 -7.466 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 2 . 221 . 1 1 7 TRP HA H 7.535 -4.455 -8.608 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 2 . 222 . 1 1 7 TRP HB2 H 9.895 -5.258 -8.595 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 2 . 223 . 1 1 7 TRP HB3 H 9.667 -3.778 -9.523 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 2 . 224 . 1 1 7 TRP HD1 H 11.096 -4.967 -6.142 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 2 . 225 . 1 1 7 TRP HE1 H 12.839 -3.244 -5.357 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 2 . 226 . 1 1 7 TRP HE3 H 10.439 -1.433 -9.777 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 2 . 227 . 1 1 7 TRP HH2 H 13.461 0.954 -7.934 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 2 . 228 . 1 1 7 TRP HZ2 H 13.807 -0.720 -6.170 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 2 . 229 . 1 1 7 TRP HZ3 H 11.813 0.607 -9.701 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 2 . 230 . 1 1 7 TRP N N 7.954 -2.627 -7.748 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 2 . 231 . 1 1 7 TRP NE1 N 12.275 -3.124 -6.150 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 2 . 232 . 1 1 7 TRP O O 8.895 -5.765 -6.380 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 2 . 233 . 1 1 8 CYS C C 6.081 -6.067 -4.485 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 2 . 234 . 1 1 8 CYS CA C 7.118 -4.950 -4.416 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 2 . 235 . 1 1 8 CYS CB C 6.691 -3.906 -3.381 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 2 . 236 . 1 1 8 CYS H H 6.755 -3.542 -5.954 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 2 . 237 . 1 1 8 CYS HA H 8.065 -5.373 -4.117 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 2 . 238 . 1 1 8 CYS HB2 H 6.111 -3.139 -3.874 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 2 . 239 . 1 1 8 CYS HB3 H 6.081 -4.384 -2.630 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 2 . 240 . 1 1 8 CYS N N 7.298 -4.325 -5.720 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 2 . 241 . 1 1 8 CYS O O 6.260 -7.048 -5.208 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 2 . 242 . 1 1 8 CYS SG S 8.080 -3.089 -2.532 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 3 . 243 . 1 1 1 GLY C C 3.553 0.227 -1.036 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 3 . 244 . 1 1 1 GLY CA C 2.085 -0.095 -1.236 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 3 . 245 . 1 1 1 GLY H1 H 1.512 1.663 -0.204 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 3 . 246 . 1 1 1 GLY HA2 H 1.828 -0.948 -0.627 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 3 . 247 . 1 1 1 GLY HA3 H 1.922 -0.344 -2.274 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 3 . 248 . 1 1 1 GLY N N 1.220 1.015 -0.879 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 3 . 249 . 1 1 1 GLY O O 3.987 0.515 0.080 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 3 . 250 . 1 1 2 CYS C C 6.100 1.672 -2.921 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 3 . 251 . 1 1 2 CYS CA C 5.750 0.463 -2.058 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 3 . 252 . 1 1 2 CYS CB C 6.555 -0.755 -2.516 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 3 . 253 . 1 1 2 CYS H H 3.918 -0.059 -2.981 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 3 . 254 . 1 1 2 CYS HA H 6.000 0.684 -1.031 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 3 . 255 . 1 1 2 CYS HB2 H 5.979 -1.303 -3.247 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 3 . 256 . 1 1 2 CYS HB3 H 7.476 -0.418 -2.968 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 3 . 257 . 1 1 2 CYS N N 4.321 0.177 -2.119 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 3 . 258 . 1 1 2 CYS O O 6.563 1.527 -4.052 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 3 . 259 . 1 1 2 CYS SG S 6.985 -1.909 -1.174 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 3 . 260 . 1 1 3 VAL C C 7.626 4.146 -3.537 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 3 . 261 . 1 1 3 VAL CA C 6.167 4.099 -3.097 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 3 . 262 . 1 1 3 VAL CB C 5.863 5.337 -2.233 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 3 . 263 . 1 1 3 VAL CG1 C 4.361 5.532 -2.089 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 3 . 264 . 1 1 3 VAL CG2 C 6.525 5.210 -0.869 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 3 . 265 . 1 1 3 VAL H H 5.503 2.915 -1.472 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 3 . 266 . 1 1 3 VAL HA H 5.535 4.133 -3.973 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 3 . 267 . 1 1 3 VAL HB H 6.270 6.206 -2.728 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 3 . 268 . 1 1 3 VAL HG11 H 3.904 4.600 -1.789 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 3 . 269 . 1 1 3 VAL HG12 H 4.165 6.288 -1.343 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 3 . 270 . 1 1 3 VAL HG13 H 3.947 5.846 -3.036 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 3 . 271 . 1 1 3 VAL HG21 H 5.764 5.152 -0.104 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 3 . 272 . 1 1 3 VAL HG22 H 7.129 4.315 -0.843 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 3 . 273 . 1 1 3 VAL HG23 H 7.151 6.071 -0.691 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 3 . 274 . 1 1 3 VAL N N 5.875 2.864 -2.378 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 3 . 275 . 1 1 3 VAL O O 8.513 4.112 -2.686 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 3 . 276 . 1 1 4 . C C 9.585 2.887 -5.887 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 3 . 277 . 1 1 4 . CA C 9.190 4.274 -5.377 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 3 . 278 . 1 1 4 . CB C 9.307 5.374 -6.434 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 3 . 279 . 1 1 4 . CD1 C 7.950 7.497 -6.548 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 3 . 280 . 1 1 4 . CD2 C 10.455 7.603 -6.160 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 3 . 281 . 1 1 4 . CG C 9.167 6.811 -5.925 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 3 . 282 . 1 1 4 . H H 7.113 4.250 -5.528 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 3 . 283 . 1 1 4 . HA H 9.857 4.544 -4.557 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 3 . 284 . 1 1 4 . HB2 H 8.544 5.203 -7.193 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 3 . 285 . 1 1 4 . HB3 H 10.274 5.277 -6.926 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 3 . 286 . 1 1 4 . HD11 H 7.849 8.502 -6.137 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 3 . 287 . 1 1 4 . HD12 H 7.053 6.921 -6.323 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 3 . 288 . 1 1 4 . HD13 H 8.080 7.558 -7.629 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 3 . 289 . 1 1 4 . HD21 H 10.841 7.382 -7.155 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 3 . 290 . 1 1 4 . HD22 H 11.196 7.322 -5.412 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 3 . 291 . 1 1 4 . HD23 H 10.244 8.670 -6.080 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 3 . 292 . 1 1 4 . HG H 9.002 6.777 -4.848 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 3 . 293 . 1 1 4 . N N 7.840 4.223 -4.842 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 3 . 294 . 1 1 4 . O O 10.268 2.734 -6.900 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 3 . 295 . 1 1 5 TYR C C 8.165 -0.243 -5.947 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 3 . 296 . 1 1 5 TYR CA C 9.431 0.488 -5.510 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 3 . 297 . 1 1 5 TYR CB C 10.069 -0.239 -4.326 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 3 . 298 . 1 1 5 TYR CD1 C 12.236 0.924 -3.752 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 3 . 299 . 1 1 5 TYR CD2 C 10.370 1.244 -2.304 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 3 . 300 . 1 1 5 TYR CE1 C 13.006 1.744 -2.949 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 3 . 301 . 1 1 5 TYR CE2 C 11.132 2.066 -1.496 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 3 . 302 . 1 1 5 TYR CG C 10.907 0.660 -3.444 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 3 . 303 . 1 1 5 TYR CZ C 12.449 2.313 -1.823 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 3 . 304 . 1 1 5 TYR H H 8.598 2.057 -4.360 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 3 . 305 . 1 1 5 TYR HA H 10.130 0.497 -6.334 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 3 . 306 . 1 1 5 TYR HB2 H 9.292 -0.670 -3.715 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 3 . 307 . 1 1 5 TYR HB3 H 10.707 -1.027 -4.698 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 3 . 308 . 1 1 5 TYR HD1 H 12.670 0.477 -4.635 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 3 . 309 . 1 1 5 TYR HD2 H 9.338 1.048 -2.050 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 3 . 310 . 1 1 5 TYR HE1 H 14.037 1.938 -3.205 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 3 . 311 . 1 1 5 TYR HE2 H 10.696 2.511 -0.614 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 3 . 312 . 1 1 5 TYR HH H 13.180 4.029 -1.357 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 3 . 313 . 1 1 5 TYR N N 9.137 1.872 -5.157 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 3 . 314 . 1 1 5 TYR O O 7.564 -1.005 -5.190 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 3 . 315 . 1 1 5 TYR OH O 13.211 3.130 -1.020 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 3 . 316 . 1 1 6 PRO C C 6.736 -2.126 -8.008 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 3 . 317 . 1 1 6 PRO CA C 6.551 -0.632 -7.768 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 3 . 318 . 1 1 6 PRO CB C 6.363 0.104 -9.097 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 3 . 319 . 1 1 6 PRO CD C 8.415 0.892 -8.159 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 3 . 320 . 1 1 6 PRO CG C 7.725 0.587 -9.459 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 3 . 321 . 1 1 6 PRO HA H 5.685 -0.474 -7.141 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 3 . 322 . 1 1 6 PRO HB2 H 5.975 -0.580 -9.839 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 3 . 323 . 1 1 6 PRO HB3 H 5.675 0.926 -8.964 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 3 . 324 . 1 1 6 PRO HD2 H 9.469 0.666 -8.229 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 3 . 325 . 1 1 6 PRO HD3 H 8.266 1.926 -7.886 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 3 . 326 . 1 1 6 PRO HG2 H 8.257 -0.184 -9.995 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 3 . 327 . 1 1 6 PRO HG3 H 7.649 1.480 -10.061 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 3 . 328 . 1 1 6 PRO N N 7.748 -0.005 -7.200 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 3 . 329 . 1 1 6 PRO O O 5.793 -2.827 -8.372 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 3 . 330 . 1 1 7 TRP C C 8.176 -4.781 -6.678 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 3 . 331 . 1 1 7 TRP CA C 8.265 -4.019 -7.995 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 3 . 332 . 1 1 7 TRP CB C 9.662 -4.179 -8.597 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 3 . 333 . 1 1 7 TRP CD1 C 11.341 -4.024 -6.667 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 3 . 334 . 1 1 7 TRP CD2 C 11.336 -2.245 -8.028 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 3 . 335 . 1 1 7 TRP CE2 C 12.295 -2.036 -7.017 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 3 . 336 . 1 1 7 TRP CE3 C 11.157 -1.259 -9.001 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 3 . 337 . 1 1 7 TRP CG C 10.738 -3.523 -7.785 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 3 . 338 . 1 1 7 TRP CH2 C 12.872 0.070 -7.920 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 3 . 339 . 1 1 7 TRP CZ2 C 13.069 -0.880 -6.954 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 3 . 340 . 1 1 7 TRP CZ3 C 11.925 -0.112 -8.937 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 3 . 341 . 1 1 7 TRP H H 8.668 -1.997 -7.511 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 3 . 342 . 1 1 7 TRP HA H 7.538 -4.424 -8.683 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 3 . 343 . 1 1 7 TRP HB2 H 9.896 -5.230 -8.673 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 3 . 344 . 1 1 7 TRP HB3 H 9.673 -3.739 -9.584 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 3 . 345 . 1 1 7 TRP HD1 H 11.104 -4.980 -6.225 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 3 . 346 . 1 1 7 TRP HE1 H 12.843 -3.266 -5.409 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 3 . 347 . 1 1 7 TRP HE3 H 10.432 -1.381 -9.793 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 3 . 348 . 1 1 7 TRP HH2 H 13.450 0.981 -7.908 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 3 . 349 . 1 1 7 TRP HZ2 H 13.803 -0.725 -6.177 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 3 . 350 . 1 1 7 TRP HZ3 H 11.800 0.662 -9.680 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 3 . 351 . 1 1 7 TRP N N 7.957 -2.606 -7.801 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 3 . 352 . 1 1 7 TRP NE1 N 12.278 -3.134 -6.199 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 3 . 353 . 1 1 7 TRP O O 8.890 -5.762 -6.466 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 3 . 354 . 1 1 8 CYS C C 6.072 -6.079 -4.581 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 3 . 355 . 1 1 8 CYS CA C 7.110 -4.965 -4.497 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 3 . 356 . 1 1 8 CYS CB C 6.683 -3.932 -3.452 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 3 . 357 . 1 1 8 CYS H H 6.752 -3.539 -6.020 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 3 . 358 . 1 1 8 CYS HA H 8.056 -5.393 -4.201 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 3 . 359 . 1 1 8 CYS HB2 H 6.104 -3.159 -3.937 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 3 . 360 . 1 1 8 CYS HB3 H 6.070 -4.418 -2.707 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 3 . 361 . 1 1 8 CYS N N 7.294 -4.326 -5.794 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 3 . 362 . 1 1 8 CYS O O 6.129 -7.053 -3.830 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 3 . 363 . 1 1 8 CYS SG S 8.071 -3.126 -2.592 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 4 . 364 . 1 1 1 GLY C C 3.585 0.252 -0.983 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 4 . 365 . 1 1 1 GLY CA C 2.118 -0.079 -1.170 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 4 . 366 . 1 1 1 GLY H1 H 0.815 1.584 -1.311 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 4 . 367 . 1 1 1 GLY HA2 H 1.896 -0.994 -0.641 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 4 . 368 . 1 1 1 GLY HA3 H 1.926 -0.228 -2.222 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 4 . 369 . 1 1 1 GLY N N 1.245 0.971 -0.679 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 4 . 370 . 1 1 1 GLY O O 4.026 0.551 0.127 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 4 . 371 . 1 1 2 CYS C C 6.109 1.695 -2.902 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 4 . 372 . 1 1 2 CYS CA C 5.772 0.493 -2.025 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 4 . 373 . 1 1 2 CYS CB C 6.581 -0.725 -2.476 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 4 . 374 . 1 1 2 CYS H H 3.936 -0.046 -2.930 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 4 . 375 . 1 1 2 CYS HA H 6.029 0.726 -1.003 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 4 . 376 . 1 1 2 CYS HB2 H 6.003 -1.284 -3.198 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 4 . 377 . 1 1 2 CYS HB3 H 7.497 -0.388 -2.939 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 4 . 378 . 1 1 2 CYS N N 4.345 0.198 -2.072 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 4 . 379 . 1 1 2 CYS O O 6.563 1.541 -4.036 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 4 . 380 . 1 1 2 CYS SG S 7.027 -1.863 -1.125 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 4 . 381 . 1 1 3 VAL C C 7.620 4.170 -3.555 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 4 . 382 . 1 1 3 VAL CA C 6.165 4.120 -3.103 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 4 . 383 . 1 1 3 VAL CB C 5.860 5.365 -2.249 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 4 . 384 . 1 1 3 VAL CG1 C 4.359 5.555 -2.097 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 4 . 385 . 1 1 3 VAL CG2 C 6.532 5.255 -0.889 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 4 . 386 . 1 1 3 VAL H H 5.521 2.949 -1.461 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 4 . 387 . 1 1 3 VAL HA H 5.526 4.142 -3.974 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 4 . 388 . 1 1 3 VAL HB H 6.260 6.231 -2.756 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 4 . 389 . 1 1 3 VAL HG11 H 3.901 5.599 -3.075 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 4 . 390 . 1 1 3 VAL HG12 H 3.945 4.726 -1.542 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 4 . 391 . 1 1 3 VAL HG13 H 4.164 6.476 -1.568 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 4 . 392 . 1 1 3 VAL HG21 H 7.163 6.117 -0.729 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 4 . 393 . 1 1 3 VAL HG22 H 5.778 5.213 -0.116 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 4 . 394 . 1 1 3 VAL HG23 H 7.132 4.358 -0.855 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 4 . 395 . 1 1 3 VAL N N 5.884 2.891 -2.370 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 4 . 396 . 1 1 3 VAL O O 8.514 4.149 -2.710 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 4 . 397 . 1 1 4 . C C 9.568 2.897 -5.906 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 4 . 398 . 1 1 4 . CA C 9.170 4.288 -5.408 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 4 . 399 . 1 1 4 . CB C 9.272 5.377 -6.477 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 4 . 400 . 1 1 4 . CD1 C 7.903 7.492 -6.603 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 4 . 401 . 1 1 4 . CD2 C 10.410 7.615 -6.235 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 4 . 402 . 1 1 4 . CG C 9.129 6.818 -5.982 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 4 . 403 . 1 1 4 . H H 7.091 4.251 -5.542 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 4 . 404 . 1 1 4 . HA H 9.840 4.569 -4.596 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 4 . 405 . 1 1 4 . HB2 H 8.504 5.194 -7.229 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 4 . 406 . 1 1 4 . HB3 H 10.236 5.279 -6.976 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 4 . 407 . 1 1 4 . HD11 H 7.631 8.366 -6.012 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 4 . 408 . 1 1 4 . HD12 H 7.070 6.789 -6.617 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 4 . 409 . 1 1 4 . HD13 H 8.136 7.800 -7.622 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 4 . 410 . 1 1 4 . HD21 H 10.242 8.662 -5.986 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 4 . 411 . 1 1 4 . HD22 H 10.689 7.531 -7.286 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 4 . 412 . 1 1 4 . HD23 H 11.213 7.218 -5.614 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 4 . 413 . 1 1 4 . HG H 8.972 6.795 -4.904 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 4 . 414 . 1 1 4 . N N 7.824 4.235 -4.862 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 4 . 415 . 1 1 4 . O O 10.244 2.737 -6.923 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 4 . 416 . 1 1 5 TYR C C 8.163 -0.240 -5.924 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 4 . 417 . 1 1 5 TYR CA C 9.429 0.502 -5.504 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 4 . 418 . 1 1 5 TYR CB C 10.080 -0.210 -4.317 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 4 . 419 . 1 1 5 TYR CD1 C 12.243 0.974 -3.772 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 4 . 420 . 1 1 5 TYR CD2 C 10.388 1.292 -2.310 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 4 . 421 . 1 1 5 TYR CE1 C 13.014 1.806 -2.983 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 4 . 422 . 1 1 5 TYR CE2 C 11.151 2.126 -1.516 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 4 . 423 . 1 1 5 TYR CG C 10.919 0.702 -3.450 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 4 . 424 . 1 1 5 TYR CZ C 12.463 2.380 -1.857 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 4 . 425 . 1 1 5 TYR H H 8.596 2.078 -4.364 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 4 . 426 . 1 1 5 TYR HA H 10.122 0.506 -6.333 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 4 . 427 . 1 1 5 TYR HB2 H 9.308 -0.638 -3.696 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 4 . 428 . 1 1 5 TYR HB3 H 10.719 -0.999 -4.685 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 4 . 429 . 1 1 5 TYR HD1 H 12.672 0.523 -4.656 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 4 . 430 . 1 1 5 TYR HD2 H 9.360 1.091 -2.045 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 4 . 431 . 1 1 5 TYR HE1 H 14.041 2.005 -3.250 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 4 . 432 . 1 1 5 TYR HE2 H 10.720 2.576 -0.633 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 4 . 433 . 1 1 5 TYR HH H 13.877 2.688 -0.591 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 4 . 434 . 1 1 5 TYR N N 9.131 1.887 -5.163 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 4 . 435 . 1 1 5 TYR O O 7.572 -0.998 -5.154 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 4 . 436 . 1 1 5 TYR OH O 13.227 3.209 -1.068 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 4 . 437 . 1 1 6 PRO C C 6.730 -2.152 -7.955 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 4 . 438 . 1 1 6 PRO CA C 6.538 -0.656 -7.729 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 4 . 439 . 1 1 6 PRO CB C 6.337 0.065 -9.064 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 4 . 440 . 1 1 6 PRO CD C 8.392 0.873 -8.149 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 4 . 441 . 1 1 6 PRO CG C 7.694 0.551 -9.441 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 4 . 442 . 1 1 6 PRO HA H 5.677 -0.496 -7.098 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 4 . 443 . 1 1 6 PRO HB2 H 5.947 -0.629 -9.796 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 4 . 444 . 1 1 6 PRO HB3 H 5.646 0.885 -8.934 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 4 . 445 . 1 1 6 PRO HD2 H 9.446 0.652 -8.225 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 4 . 446 . 1 1 6 PRO HD3 H 8.239 1.909 -7.885 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 4 . 447 . 1 1 6 PRO HG2 H 8.226 -0.222 -9.973 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 4 . 448 . 1 1 6 PRO HG3 H 7.609 1.438 -10.052 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 4 . 449 . 1 1 6 PRO N N 7.737 -0.018 -7.176 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 4 . 450 . 1 1 6 PRO O O 5.787 -2.862 -8.306 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 4 . 451 . 1 1 7 TRP C C 8.192 -4.786 -6.608 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 4 . 452 . 1 1 7 TRP CA C 8.269 -4.036 -7.934 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 4 . 453 . 1 1 7 TRP CB C 9.662 -4.196 -8.544 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 4 . 454 . 1 1 7 TRP CD1 C 11.364 -4.014 -6.636 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 4 . 455 . 1 1 7 TRP CD2 C 11.319 -2.239 -8.002 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 4 . 456 . 1 1 7 TRP CE2 C 12.288 -2.014 -7.004 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 4 . 457 . 1 1 7 TRP CE3 C 11.114 -1.258 -8.975 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 4 . 458 . 1 1 7 TRP CG C 10.740 -3.524 -7.748 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 4 . 459 . 1 1 7 TRP CH2 C 12.826 0.096 -7.920 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 4 . 460 . 1 1 7 TRP CZ2 C 13.047 -0.848 -6.954 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 4 . 461 . 1 1 7 TRP CZ3 C 11.868 -0.101 -8.924 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 4 . 462 . 1 1 7 TRP H H 8.665 -2.008 -7.473 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 4 . 463 . 1 1 7 TRP HA H 7.539 -4.453 -8.612 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 4 . 464 . 1 1 7 TRP HB2 H 9.902 -5.246 -8.610 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 4 . 465 . 1 1 7 TRP HB3 H 9.664 -3.767 -9.536 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 4 . 466 . 1 1 7 TRP HD1 H 11.145 -4.971 -6.188 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 4 . 467 . 1 1 7 TRP HE1 H 12.872 -3.233 -5.400 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 4 . 468 . 1 1 7 TRP HE3 H 10.381 -1.391 -9.757 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 4 . 469 . 1 1 7 TRP HH2 H 13.392 1.014 -7.919 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 4 . 470 . 1 1 7 TRP HZ2 H 13.789 -0.682 -6.187 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 4 . 471 . 1 1 7 TRP HZ3 H 11.724 0.669 -9.668 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 4 . 472 . 1 1 7 TRP N N 7.955 -2.624 -7.752 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 4 . 473 . 1 1 7 TRP NE1 N 12.295 -3.111 -6.183 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 4 . 474 . 1 1 7 TRP O O 8.913 -5.760 -6.392 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 4 . 475 . 1 1 8 CYS C C 6.110 -6.073 -4.484 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 4 . 476 . 1 1 8 CYS CA C 7.144 -4.952 -4.418 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 4 . 477 . 1 1 8 CYS CB C 6.718 -3.911 -3.381 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 4 . 478 . 1 1 8 CYS H H 6.768 -3.544 -5.953 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 4 . 479 . 1 1 8 CYS HA H 8.094 -5.372 -4.124 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 4 . 480 . 1 1 8 CYS HB2 H 6.133 -3.146 -3.869 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 4 . 481 . 1 1 8 CYS HB3 H 6.114 -4.392 -2.626 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 4 . 482 . 1 1 8 CYS N N 7.315 -4.326 -5.723 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 4 . 483 . 1 1 8 CYS O O 6.436 -7.212 -4.819 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 4 . 484 . 1 1 8 CYS SG S 8.109 -3.089 -2.539 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 5 . 485 . 1 1 1 GLY C C 3.575 0.260 -0.999 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 5 . 486 . 1 1 1 GLY CA C 2.108 -0.070 -1.189 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 5 . 487 . 1 1 1 GLY H1 H 1.048 1.505 -0.251 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 5 . 488 . 1 1 1 GLY HA2 H 1.981 -1.141 -1.137 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 5 . 489 . 1 1 1 GLY HA3 H 1.797 0.273 -2.165 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 5 . 490 . 1 1 1 GLY N N 1.264 0.551 -0.185 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 5 . 491 . 1 1 1 GLY O O 4.013 0.560 0.112 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 5 . 492 . 1 1 2 CYS C C 6.106 1.697 -2.912 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 5 . 493 . 1 1 2 CYS CA C 5.765 0.496 -2.034 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 5 . 494 . 1 1 2 CYS CB C 6.574 -0.723 -2.481 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 5 . 495 . 1 1 2 CYS H H 3.931 -0.042 -2.943 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 5 . 496 . 1 1 2 CYS HA H 6.019 0.731 -1.011 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 5 . 497 . 1 1 2 CYS HB2 H 6.008 -1.268 -3.223 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 5 . 498 . 1 1 2 CYS HB3 H 7.503 -0.388 -2.919 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 5 . 499 . 1 1 2 CYS N N 4.338 0.203 -2.085 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 5 . 500 . 1 1 2 CYS O O 6.544 1.541 -4.052 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 5 . 501 . 1 1 2 CYS SG S 6.979 -1.881 -1.135 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 5 . 502 . 1 1 3 VAL C C 7.644 4.165 -3.558 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 5 . 503 . 1 1 3 VAL CA C 6.188 4.122 -3.107 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 5 . 504 . 1 1 3 VAL CB C 5.890 5.368 -2.253 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 5 . 505 . 1 1 3 VAL CG1 C 4.389 5.566 -2.102 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 5 . 506 . 1 1 3 VAL CG2 C 6.561 5.255 -0.892 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 5 . 507 . 1 1 3 VAL H H 5.551 2.954 -1.460 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 5 . 508 . 1 1 3 VAL HA H 5.550 4.147 -3.978 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 5 . 509 . 1 1 3 VAL HB H 6.295 6.232 -2.759 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 5 . 510 . 1 1 3 VAL HG11 H 4.027 6.194 -2.902 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 5 . 511 . 1 1 3 VAL HG12 H 3.894 4.607 -2.143 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 5 . 512 . 1 1 3 VAL HG13 H 4.183 6.038 -1.153 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 5 . 513 . 1 1 3 VAL HG21 H 7.174 4.367 -0.867 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 5 . 514 . 1 1 3 VAL HG22 H 7.179 6.124 -0.721 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 5 . 515 . 1 1 3 VAL HG23 H 5.806 5.193 -0.122 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 5 . 516 . 1 1 3 VAL N N 5.902 2.895 -2.373 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 5 . 517 . 1 1 3 VAL O O 8.538 4.141 -2.713 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 5 . 518 . 1 1 4 . C C 9.587 2.881 -5.908 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 5 . 519 . 1 1 4 . CA C 9.195 4.274 -5.411 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 5 . 520 . 1 1 4 . CB C 9.302 5.362 -6.482 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 5 . 521 . 1 1 4 . CD1 C 7.943 7.482 -6.612 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 5 . 522 . 1 1 4 . CD2 C 10.450 7.594 -6.241 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 5 . 523 . 1 1 4 . CG C 9.165 6.804 -5.989 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 5 . 524 . 1 1 4 . H H 7.116 4.247 -5.546 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 5 . 525 . 1 1 4 . HA H 9.866 4.554 -4.600 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 5 . 526 . 1 1 4 . HB2 H 8.533 5.181 -7.233 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 5 . 527 . 1 1 4 . HB3 H 10.265 5.259 -6.981 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 5 . 528 . 1 1 4 . HD11 H 7.127 6.764 -6.687 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 5 . 529 . 1 1 4 . HD12 H 8.198 7.847 -7.607 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 5 . 530 . 1 1 4 . HD13 H 7.634 8.320 -5.987 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 5 . 531 . 1 1 4 . HD21 H 10.219 8.658 -6.289 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 5 . 532 . 1 1 4 . HD22 H 10.893 7.276 -7.186 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 5 . 533 . 1 1 4 . HD23 H 11.155 7.410 -5.430 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 5 . 534 . 1 1 4 . HG H 9.006 6.783 -4.911 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 5 . 535 . 1 1 4 . N N 7.849 4.228 -4.866 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 5 . 536 . 1 1 4 . O O 10.264 2.717 -6.923 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 5 . 537 . 1 1 5 TYR C C 8.166 -0.249 -5.927 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 5 . 538 . 1 1 5 TYR CA C 9.435 0.487 -5.504 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 5 . 539 . 1 1 5 TYR CB C 10.079 -0.227 -4.315 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 5 . 540 . 1 1 5 TYR CD1 C 12.246 0.945 -3.763 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 5 . 541 . 1 1 5 TYR CD2 C 10.387 1.275 -2.308 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 5 . 542 . 1 1 5 TYR CE1 C 13.018 1.774 -2.972 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 5 . 543 . 1 1 5 TYR CE2 C 11.151 2.107 -1.513 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 5 . 544 . 1 1 5 TYR CG C 10.919 0.681 -3.446 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 5 . 545 . 1 1 5 TYR CZ C 12.466 2.353 -1.848 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 5 . 546 . 1 1 5 TYR H H 8.608 2.068 -4.367 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 5 . 547 . 1 1 5 TYR HA H 10.130 0.487 -6.331 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 5 . 548 . 1 1 5 TYR HB2 H 9.304 -0.653 -3.696 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 5 . 549 . 1 1 5 TYR HB3 H 10.716 -1.019 -4.681 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 5 . 550 . 1 1 5 TYR HD1 H 12.676 0.490 -4.643 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 5 . 551 . 1 1 5 TYR HD2 H 9.357 1.080 -2.048 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 5 . 552 . 1 1 5 TYR HE1 H 14.048 1.967 -3.234 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 5 . 553 . 1 1 5 TYR HE2 H 10.719 2.560 -0.632 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 5 . 554 . 1 1 5 TYR HH H 12.929 4.085 -1.156 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 5 . 555 . 1 1 5 TYR N N 9.143 1.874 -5.164 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 5 . 556 . 1 1 5 TYR O O 7.569 -1.002 -5.158 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 5 . 557 . 1 1 5 TYR OH O 13.231 3.179 -1.057 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 5 . 558 . 1 1 6 PRO C C 6.729 -2.155 -7.959 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 5 . 559 . 1 1 6 PRO CA C 6.544 -0.658 -7.736 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 5 . 560 . 1 1 6 PRO CB C 6.350 0.062 -9.072 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 5 . 561 . 1 1 6 PRO CD C 8.407 0.860 -8.152 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 5 . 562 . 1 1 6 PRO CG C 7.711 0.541 -9.446 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 5 . 563 . 1 1 6 PRO HA H 5.682 -0.493 -7.107 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 5 . 564 . 1 1 6 PRO HB2 H 5.959 -0.631 -9.804 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 5 . 565 . 1 1 6 PRO HB3 H 5.663 0.886 -8.945 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 5 . 566 . 1 1 6 PRO HD2 H 9.460 0.634 -8.225 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 5 . 567 . 1 1 6 PRO HD3 H 8.259 1.897 -7.890 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 5 . 568 . 1 1 6 PRO HG2 H 8.241 -0.236 -9.975 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 5 . 569 . 1 1 6 PRO HG3 H 7.632 1.427 -10.058 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 5 . 570 . 1 1 6 PRO N N 7.745 -0.026 -7.180 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 5 . 571 . 1 1 6 PRO O O 5.783 -2.861 -8.312 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 5 . 572 . 1 1 7 TRP C C 8.172 -4.796 -6.605 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 5 . 573 . 1 1 7 TRP CA C 8.257 -4.048 -7.931 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 5 . 574 . 1 1 7 TRP CB C 9.652 -4.216 -8.536 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 5 . 575 . 1 1 7 TRP CD1 C 11.336 -4.050 -6.611 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 5 . 576 . 1 1 7 TRP CD2 C 11.333 -2.282 -7.986 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 5 . 577 . 1 1 7 TRP CE2 C 12.294 -2.067 -6.980 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 5 . 578 . 1 1 7 TRP CE3 C 11.154 -1.303 -8.967 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 5 . 579 . 1 1 7 TRP CG C 10.731 -3.556 -7.732 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 5 . 580 . 1 1 7 TRP CH2 C 12.875 0.029 -7.901 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 5 . 581 . 1 1 7 TRP CZ2 C 13.071 -0.912 -6.928 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 5 . 582 . 1 1 7 TRP CZ3 C 11.925 -0.158 -8.914 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 5 . 583 . 1 1 7 TRP H H 8.663 -2.021 -7.472 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 5 . 584 . 1 1 7 TRP HA H 7.528 -4.461 -8.612 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 5 . 585 . 1 1 7 TRP HB2 H 9.884 -5.268 -8.605 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 5 . 586 . 1 1 7 TRP HB3 H 9.661 -3.783 -9.526 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 5 . 587 . 1 1 7 TRP HD1 H 11.097 -5.001 -6.160 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 5 . 588 . 1 1 7 TRP HE1 H 12.843 -3.286 -5.363 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 5 . 589 . 1 1 7 TRP HE3 H 10.427 -1.429 -9.756 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 5 . 590 . 1 1 7 TRP HH2 H 13.455 0.939 -7.898 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 5 . 591 . 1 1 7 TRP HZ2 H 13.808 -0.754 -6.153 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 5 . 592 . 1 1 7 TRP HZ3 H 11.801 0.610 -9.663 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 5 . 593 . 1 1 7 TRP N N 7.950 -2.634 -7.752 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 5 . 594 . 1 1 7 TRP NE1 N 12.276 -3.159 -6.153 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 5 . 595 . 1 1 7 TRP O O 8.886 -5.775 -6.386 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 5 . 596 . 1 1 8 CYS C C 6.074 -6.068 -4.486 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 5 . 597 . 1 1 8 CYS CA C 7.115 -4.954 -4.418 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 5 . 598 . 1 1 8 CYS CB C 6.693 -3.909 -3.383 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 5 . 599 . 1 1 8 CYS H H 6.753 -3.545 -5.956 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 5 . 600 . 1 1 8 CYS HA H 8.061 -5.380 -4.121 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 5 . 601 . 1 1 8 CYS HB2 H 6.116 -3.139 -3.875 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 5 . 602 . 1 1 8 CYS HB3 H 6.081 -4.385 -2.631 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 5 . 603 . 1 1 8 CYS N N 7.294 -4.329 -5.723 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 5 . 604 . 1 1 8 CYS O O 6.106 -6.906 -5.387 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 5 . 605 . 1 1 8 CYS SG S 8.085 -3.098 -2.534 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 6 . 606 . 1 1 1 GLY C C 3.586 0.364 -0.985 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 6 . 607 . 1 1 1 GLY CA C 2.111 0.069 -1.177 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 6 . 608 . 1 1 1 GLY H1 H 1.800 -2.025 -1.136 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 6 . 609 . 1 1 1 GLY HA2 H 1.891 0.058 -2.234 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 6 . 610 . 1 1 1 GLY HA3 H 1.535 0.853 -0.707 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 6 . 611 . 1 1 1 GLY N N 1.721 -1.206 -0.604 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 6 . 612 . 1 1 1 GLY O O 4.028 0.660 0.125 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 6 . 613 . 1 1 2 CYS C C 6.155 1.729 -2.897 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 6 . 614 . 1 1 2 CYS CA C 5.784 0.539 -2.016 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 6 . 615 . 1 1 2 CYS CB C 6.563 -0.701 -2.459 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 6 . 616 . 1 1 2 CYS H H 3.939 0.040 -2.927 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 6 . 617 . 1 1 2 CYS HA H 6.042 0.770 -0.994 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 6 . 618 . 1 1 2 CYS HB2 H 5.975 -1.246 -3.183 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 6 . 619 . 1 1 2 CYS HB3 H 7.489 -0.389 -2.918 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 6 . 620 . 1 1 2 CYS N N 4.350 0.281 -2.069 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 6 . 621 . 1 1 2 CYS O O 6.688 1.560 -3.994 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 6 . 622 . 1 1 2 CYS SG S 6.972 -1.846 -1.103 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 6 . 623 . 1 1 3 VAL C C 7.637 4.179 -3.581 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 6 . 624 . 1 1 3 VAL CA C 6.175 4.150 -3.149 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 6 . 625 . 1 1 3 VAL CB C 5.874 5.407 -2.312 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 6 . 626 . 1 1 3 VAL CG1 C 4.373 5.581 -2.132 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 6 . 627 . 1 1 3 VAL CG2 C 6.575 5.330 -0.965 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 6 . 628 . 1 1 3 VAL H H 5.446 3.002 -1.528 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 6 . 629 . 1 1 3 VAL HA H 5.550 4.170 -4.030 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 6 . 630 . 1 1 3 VAL HB H 6.253 6.268 -2.843 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 6 . 631 . 1 1 3 VAL HG11 H 3.858 5.166 -2.985 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 6 . 632 . 1 1 3 VAL HG12 H 4.057 5.070 -1.234 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 6 . 633 . 1 1 3 VAL HG13 H 4.141 6.633 -2.049 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 6 . 634 . 1 1 3 VAL HG21 H 6.184 6.095 -0.311 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 6 . 635 . 1 1 3 VAL HG22 H 6.404 4.358 -0.524 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 6 . 636 . 1 1 3 VAL HG23 H 7.636 5.480 -1.101 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 6 . 637 . 1 1 3 VAL N N 5.870 2.932 -2.408 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 6 . 638 . 1 1 3 VAL O O 8.519 4.136 -2.725 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 6 . 639 . 1 1 4 . C C 9.601 2.888 -5.903 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 6 . 640 . 1 1 4 . CA C 9.214 4.284 -5.412 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 6 . 641 . 1 1 4 . CB C 9.345 5.370 -6.482 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 6 . 642 . 1 1 4 . CD1 C 7.998 7.496 -6.637 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 6 . 643 . 1 1 4 . CD2 C 10.499 7.598 -6.225 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 6 . 644 . 1 1 4 . CG C 9.206 6.814 -5.993 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 6 . 645 . 1 1 4 . H H 7.137 4.284 -5.575 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 6 . 646 . 1 1 4 . HA H 9.877 4.558 -4.592 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 6 . 647 . 1 1 4 . HB2 H 8.589 5.192 -7.247 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 6 . 648 . 1 1 4 . HB3 H 10.317 5.263 -6.963 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 6 . 649 . 1 1 4 . HD11 H 7.834 8.465 -6.165 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 6 . 650 . 1 1 4 . HD12 H 7.114 6.873 -6.502 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 6 . 651 . 1 1 4 . HD13 H 8.185 7.638 -7.701 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 6 . 652 . 1 1 4 . HD21 H 10.907 7.345 -7.204 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 6 . 653 . 1 1 4 . HD22 H 11.223 7.342 -5.452 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 6 . 654 . 1 1 4 . HD23 H 10.287 8.667 -6.185 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 6 . 655 . 1 1 4 . HG H 9.030 6.794 -4.917 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 6 . 656 . 1 1 4 . N N 7.860 4.250 -4.885 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 6 . 657 . 1 1 4 . O O 10.277 2.717 -6.918 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 6 . 658 . 1 1 5 TYR C C 8.170 -0.237 -5.907 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 6 . 659 . 1 1 5 TYR CA C 9.441 0.496 -5.488 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 6 . 660 . 1 1 5 TYR CB C 10.083 -0.215 -4.296 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 6 . 661 . 1 1 5 TYR CD1 C 12.258 0.948 -3.754 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 6 . 662 . 1 1 5 TYR CD2 C 10.403 1.296 -2.298 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 6 . 663 . 1 1 5 TYR CE1 C 13.036 1.776 -2.970 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 6 . 664 . 1 1 5 TYR CE2 C 11.174 2.127 -1.508 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 6 . 665 . 1 1 5 TYR CG C 10.930 0.693 -3.434 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 6 . 666 . 1 1 5 TYR CZ C 12.489 2.364 -1.848 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 6 . 667 . 1 1 5 TYR H H 8.620 2.085 -4.357 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 6 . 668 . 1 1 5 TYR HA H 10.136 0.489 -6.315 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 6 . 669 . 1 1 5 TYR HB2 H 9.306 -0.632 -3.673 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 6 . 670 . 1 1 5 TYR HB3 H 10.714 -1.013 -4.658 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 6 . 671 . 1 1 5 TYR HD1 H 12.683 0.486 -4.634 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 6 . 672 . 1 1 5 TYR HD2 H 9.373 1.108 -2.035 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 6 . 673 . 1 1 5 TYR HE1 H 14.066 1.962 -3.235 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 6 . 674 . 1 1 5 TYR HE2 H 10.746 2.587 -0.629 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 6 . 675 . 1 1 5 TYR HH H 12.912 4.084 -1.100 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 6 . 676 . 1 1 5 TYR N N 9.154 1.886 -5.154 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 6 . 677 . 1 1 5 TYR O O 7.571 -0.986 -5.135 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 6 . 678 . 1 1 5 TYR OH O 13.261 3.190 -1.063 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 6 . 679 . 1 1 6 PRO C C 6.724 -2.145 -7.932 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 6 . 680 . 1 1 6 PRO CA C 6.545 -0.647 -7.713 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 6 . 681 . 1 1 6 PRO CB C 6.352 0.070 -9.052 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 6 . 682 . 1 1 6 PRO CD C 8.412 0.864 -8.136 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 6 . 683 . 1 1 6 PRO CG C 7.713 0.542 -9.429 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 6 . 684 . 1 1 6 PRO HA H 5.683 -0.477 -7.084 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 6 . 685 . 1 1 6 PRO HB2 H 5.958 -0.624 -9.781 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 6 . 686 . 1 1 6 PRO HB3 H 5.668 0.896 -8.927 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 6 . 687 . 1 1 6 PRO HD2 H 9.465 0.634 -8.209 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 6 . 688 . 1 1 6 PRO HD3 H 8.268 1.902 -7.878 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 6 . 689 . 1 1 6 PRO HG2 H 8.240 -0.238 -9.956 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 6 . 690 . 1 1 6 PRO HG3 H 7.637 1.427 -10.043 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 6 . 691 . 1 1 6 PRO N N 7.747 -0.017 -7.161 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 6 . 692 . 1 1 6 PRO O O 5.776 -2.848 -8.283 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 6 . 693 . 1 1 7 TRP C C 8.156 -4.787 -6.569 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 6 . 694 . 1 1 7 TRP CA C 8.246 -4.044 -7.897 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 6 . 695 . 1 1 7 TRP CB C 9.641 -4.218 -8.500 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 6 . 696 . 1 1 7 TRP CD1 C 11.332 -4.015 -6.585 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 6 . 697 . 1 1 7 TRP CD2 C 11.307 -2.264 -7.981 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 6 . 698 . 1 1 7 TRP CE2 C 12.272 -2.028 -6.982 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 6 . 699 . 1 1 7 TRP CE3 C 11.116 -1.298 -8.973 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 6 . 700 . 1 1 7 TRP CG C 10.718 -3.540 -7.709 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 6 . 701 . 1 1 7 TRP CH2 C 12.831 0.061 -7.931 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 6 . 702 . 1 1 7 TRP CZ2 C 13.039 -0.867 -6.948 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 6 . 703 . 1 1 7 TRP CZ3 C 11.878 -0.146 -8.937 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 6 . 704 . 1 1 7 TRP H H 8.658 -2.017 -7.444 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 6 . 705 . 1 1 7 TRP HA H 7.516 -4.456 -8.578 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 6 . 706 . 1 1 7 TRP HB2 H 9.876 -5.270 -8.549 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 6 . 707 . 1 1 7 TRP HB3 H 9.648 -3.804 -9.498 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 6 . 708 . 1 1 7 TRP HD1 H 11.104 -4.962 -6.122 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 6 . 709 . 1 1 7 TRP HE1 H 12.839 -3.223 -5.354 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 6 . 710 . 1 1 7 TRP HE3 H 10.386 -1.440 -9.757 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 6 . 711 . 1 1 7 TRP HH2 H 13.403 0.976 -7.942 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 6 . 712 . 1 1 7 TRP HZ2 H 13.778 -0.693 -6.179 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 6 . 713 . 1 1 7 TRP HZ3 H 11.743 0.612 -9.695 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 6 . 714 . 1 1 7 TRP N N 7.943 -2.627 -7.723 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 6 . 715 . 1 1 7 TRP NE1 N 12.267 -3.110 -6.142 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 6 . 716 . 1 1 7 TRP O O 8.866 -5.768 -6.346 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 6 . 717 . 1 1 8 CYS C C 6.050 -6.046 -4.450 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 6 . 718 . 1 1 8 CYS CA C 7.094 -4.935 -4.384 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 6 . 719 . 1 1 8 CYS CB C 6.674 -3.886 -3.353 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 6 . 720 . 1 1 8 CYS H H 6.739 -3.530 -5.926 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 6 . 721 . 1 1 8 CYS HA H 8.039 -5.363 -4.084 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 6 . 722 . 1 1 8 CYS HB2 H 6.111 -3.109 -3.850 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 6 . 723 . 1 1 8 CYS HB3 H 6.050 -4.355 -2.607 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 6 . 724 . 1 1 8 CYS N N 7.278 -4.315 -5.690 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 6 . 725 . 1 1 8 CYS O O 4.951 -5.847 -4.968 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 6 . 726 . 1 1 8 CYS SG S 8.068 -3.091 -2.490 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 7 . 727 . 1 1 1 GLY C C 3.554 0.399 -1.020 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 7 . 728 . 1 1 1 GLY CA C 2.079 0.108 -1.216 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 7 . 729 . 1 1 1 GLY H1 H 2.430 -1.950 -0.866 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 7 . 730 . 1 1 1 GLY HA2 H 1.755 0.556 -2.144 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 7 . 731 . 1 1 1 GLY HA3 H 1.525 0.552 -0.402 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 7 . 732 . 1 1 1 GLY N N 1.794 -1.314 -1.256 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 7 . 733 . 1 1 1 GLY O O 3.993 0.696 0.091 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 7 . 734 . 1 1 2 CYS C C 6.133 1.754 -2.925 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 7 . 735 . 1 1 2 CYS CA C 5.755 0.567 -2.044 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 7 . 736 . 1 1 2 CYS CB C 6.533 -0.675 -2.483 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 7 . 737 . 1 1 2 CYS H H 3.912 0.072 -2.960 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 7 . 738 . 1 1 2 CYS HA H 6.011 0.798 -1.021 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 7 . 739 . 1 1 2 CYS HB2 H 5.946 -1.220 -3.208 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 7 . 740 . 1 1 2 CYS HB3 H 7.462 -0.367 -2.938 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 7 . 741 . 1 1 2 CYS N N 4.321 0.313 -2.102 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 7 . 742 . 1 1 2 CYS O O 6.669 1.583 -4.020 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 7 . 743 . 1 1 2 CYS SG S 6.933 -1.821 -1.124 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 7 . 744 . 1 1 3 VAL C C 7.625 4.199 -3.608 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 7 . 745 . 1 1 3 VAL CA C 6.161 4.175 -3.181 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 7 . 746 . 1 1 3 VAL CB C 5.860 5.434 -2.346 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 7 . 747 . 1 1 3 VAL CG1 C 4.359 5.612 -2.171 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 7 . 748 . 1 1 3 VAL CG2 C 6.557 5.357 -0.997 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 7 . 749 . 1 1 3 VAL H H 5.422 3.031 -1.561 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 7 . 750 . 1 1 3 VAL HA H 5.538 4.196 -4.064 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 7 . 751 . 1 1 3 VAL HB H 6.242 6.293 -2.877 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 7 . 752 . 1 1 3 VAL HG11 H 4.013 4.978 -1.368 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 7 . 753 . 1 1 3 VAL HG12 H 4.144 6.644 -1.935 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 7 . 754 . 1 1 3 VAL HG13 H 3.855 5.339 -3.087 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 7 . 755 . 1 1 3 VAL HG21 H 6.382 4.387 -0.557 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 7 . 756 . 1 1 3 VAL HG22 H 7.619 5.505 -1.131 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 7 . 757 . 1 1 3 VAL HG23 H 6.167 6.125 -0.345 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 7 . 758 . 1 1 3 VAL N N 5.850 2.959 -2.439 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 7 . 759 . 1 1 3 VAL O O 8.503 4.156 -2.748 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 7 . 760 . 1 1 4 . C C 9.593 2.900 -5.921 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 7 . 761 . 1 1 4 . CA C 9.208 4.299 -5.433 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 7 . 762 . 1 1 4 . CB C 9.346 5.383 -6.504 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 7 . 763 . 1 1 4 . CD1 C 8.004 7.512 -6.666 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 7 . 764 . 1 1 4 . CD2 C 10.504 7.608 -6.246 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 7 . 765 . 1 1 4 . CG C 9.209 6.827 -6.017 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 7 . 766 . 1 1 4 . H H 7.132 4.304 -5.603 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 7 . 767 . 1 1 4 . HA H 9.869 4.572 -4.611 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 7 . 768 . 1 1 4 . HB2 H 8.592 5.206 -7.271 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 7 . 769 . 1 1 4 . HB3 H 10.319 5.272 -6.981 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 7 . 770 . 1 1 4 . HD11 H 7.086 7.037 -6.321 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 7 . 771 . 1 1 4 . HD12 H 8.075 7.421 -7.750 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 7 . 772 . 1 1 4 . HD13 H 7.994 8.566 -6.390 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 7 . 773 . 1 1 4 . HD21 H 10.726 7.640 -7.313 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 7 . 774 . 1 1 4 . HD22 H 11.322 7.117 -5.719 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 7 . 775 . 1 1 4 . HD23 H 10.387 8.624 -5.869 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 7 . 776 . 1 1 4 . HG H 9.028 6.810 -4.943 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 7 . 777 . 1 1 4 . N N 7.852 4.269 -4.911 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 7 . 778 . 1 1 4 . O O 10.272 2.726 -6.933 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 7 . 779 . 1 1 5 TYR C C 8.153 -0.221 -5.926 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 7 . 780 . 1 1 5 TYR CA C 9.424 0.509 -5.503 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 7 . 781 . 1 1 5 TYR CB C 10.061 -0.202 -4.308 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 7 . 782 . 1 1 5 TYR CD1 C 12.238 0.954 -3.759 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 7 . 783 . 1 1 5 TYR CD2 C 10.377 1.315 -2.313 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 7 . 784 . 1 1 5 TYR CE1 C 13.015 1.782 -2.973 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 7 . 785 . 1 1 5 TYR CE2 C 11.147 2.145 -1.522 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 7 . 786 . 1 1 5 TYR CG C 10.908 0.705 -3.444 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 7 . 787 . 1 1 5 TYR CZ C 12.465 2.375 -1.855 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 7 . 788 . 1 1 5 TYR H H 8.605 2.103 -4.377 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 7 . 789 . 1 1 5 TYR HA H 10.122 0.500 -6.328 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 7 . 790 . 1 1 5 TYR HB2 H 9.281 -0.616 -3.687 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 7 . 791 . 1 1 5 TYR HB3 H 10.691 -1.002 -4.667 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 7 . 792 . 1 1 5 TYR HD1 H 12.665 0.489 -4.635 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 7 . 793 . 1 1 5 TYR HD2 H 9.344 1.132 -2.055 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 7 . 794 . 1 1 5 TYR HE1 H 14.047 1.963 -3.234 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 7 . 795 . 1 1 5 TYR HE2 H 10.717 2.609 -0.647 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 7 . 796 . 1 1 5 TYR HH H 13.471 2.744 -0.259 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 7 . 797 . 1 1 5 TYR N N 9.141 1.901 -5.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 7 . 798 . 1 1 5 TYR O O 7.550 -0.967 -5.155 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 7 . 799 . 1 1 5 TYR OH O 13.236 3.201 -1.070 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 7 . 800 . 1 1 6 PRO C C 6.709 -2.128 -7.953 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 7 . 801 . 1 1 6 PRO CA C 6.533 -0.629 -7.737 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 7 . 802 . 1 1 6 PRO CB C 6.346 0.087 -9.077 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 7 . 803 . 1 1 6 PRO CD C 8.406 0.877 -8.156 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 7 . 804 . 1 1 6 PRO CG C 7.711 0.555 -9.450 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 7 . 805 . 1 1 6 PRO HA H 5.670 -0.455 -7.111 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 7 . 806 . 1 1 6 PRO HB2 H 5.953 -0.607 -9.807 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 7 . 807 . 1 1 6 PRO HB3 H 5.664 0.915 -8.956 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 7 . 808 . 1 1 6 PRO HD2 H 9.458 0.644 -8.225 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 7 . 809 . 1 1 6 PRO HD3 H 8.264 1.916 -7.899 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 7 . 810 . 1 1 6 PRO HG2 H 8.237 -0.227 -9.974 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 7 . 811 . 1 1 6 PRO HG3 H 7.639 1.440 -10.066 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 7 . 812 . 1 1 6 PRO N N 7.736 -0.001 -7.181 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 7 . 813 . 1 1 6 PRO O O 5.760 -2.829 -8.306 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 7 . 814 . 1 1 7 TRP C C 8.129 -4.771 -6.582 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 7 . 815 . 1 1 7 TRP CA C 8.226 -4.030 -7.911 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 7 . 816 . 1 1 7 TRP CB C 9.622 -4.209 -8.508 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 7 . 817 . 1 1 7 TRP CD1 C 11.304 -3.999 -6.585 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 7 . 818 . 1 1 7 TRP CD2 C 11.295 -2.258 -7.994 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 7 . 819 . 1 1 7 TRP CE2 C 12.255 -2.020 -6.991 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 7 . 820 . 1 1 7 TRP CE3 C 11.113 -1.299 -8.994 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 7 . 821 . 1 1 7 TRP CG C 10.698 -3.530 -7.716 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 7 . 822 . 1 1 7 TRP CH2 C 12.828 0.060 -7.952 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 7 . 823 . 1 1 7 TRP CZ2 C 13.027 -0.862 -6.961 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 7 . 824 . 1 1 7 TRP CZ3 C 11.880 -0.150 -8.963 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 7 . 825 . 1 1 7 TRP H H 8.642 -2.004 -7.459 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 7 . 826 . 1 1 7 TRP HA H 7.497 -4.441 -8.593 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 7 . 827 . 1 1 7 TRP HB2 H 9.856 -5.262 -8.553 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 7 . 828 . 1 1 7 TRP HB3 H 9.634 -3.798 -9.507 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 7 . 829 . 1 1 7 TRP HD1 H 11.069 -4.942 -6.116 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 7 . 830 . 1 1 7 TRP HE1 H 12.807 -3.205 -5.351 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 7 . 831 . 1 1 7 TRP HE3 H 10.388 -1.443 -9.781 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 7 . 832 . 1 1 7 TRP HH2 H 13.405 0.972 -7.967 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 7 . 833 . 1 1 7 TRP HZ2 H 13.762 -0.685 -6.190 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 7 . 834 . 1 1 7 TRP HZ3 H 11.753 0.603 -9.727 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 7 . 835 . 1 1 7 TRP N N 7.926 -2.613 -7.739 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 7 . 836 . 1 1 7 TRP NE1 N 12.240 -3.095 -6.144 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 7 . 837 . 1 1 7 TRP O O 8.836 -5.754 -6.355 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 7 . 838 . 1 1 8 CYS C C 6.012 -6.021 -4.469 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 7 . 839 . 1 1 8 CYS CA C 7.059 -4.914 -4.400 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 7 . 840 . 1 1 8 CYS CB C 6.639 -3.862 -3.372 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 7 . 841 . 1 1 8 CYS H H 6.714 -3.509 -5.946 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 7 . 842 . 1 1 8 CYS HA H 8.002 -5.344 -4.097 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 7 . 843 . 1 1 8 CYS HB2 H 6.079 -3.085 -3.872 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 7 . 844 . 1 1 8 CYS HB3 H 6.010 -4.328 -2.627 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 7 . 845 . 1 1 8 CYS N N 7.249 -4.296 -5.707 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 7 . 846 . 1 1 8 CYS O O 5.657 -6.616 -3.451 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 7 . 847 . 1 1 8 CYS SG S 8.032 -3.070 -2.505 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 8 . 848 . 1 1 1 GLY C C 3.735 -0.002 -0.963 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 8 . 849 . 1 1 1 GLY CA C 2.363 -0.548 -1.304 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 8 . 850 . 1 1 1 GLY H1 H 1.524 0.238 0.474 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 8 . 851 . 1 1 1 GLY HA2 H 2.377 -1.622 -1.193 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 8 . 852 . 1 1 1 GLY HA3 H 2.138 -0.305 -2.332 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 8 . 853 . 1 1 1 GLY N N 1.321 -0.002 -0.455 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 8 . 854 . 1 1 1 GLY O O 4.016 0.313 0.194 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 8 . 855 . 1 1 2 CYS C C 6.238 1.771 -2.731 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 8 . 856 . 1 1 2 CYS CA C 5.945 0.620 -1.772 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 8 . 857 . 1 1 2 CYS CB C 6.969 -0.498 -1.973 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 8 . 858 . 1 1 2 CYS H H 4.311 -0.157 -2.872 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 8 . 859 . 1 1 2 CYS HA H 6.017 0.985 -0.759 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 8 . 860 . 1 1 2 CYS HB2 H 7.192 -0.588 -3.026 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 8 . 861 . 1 1 2 CYS HB3 H 7.874 -0.248 -1.439 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 8 . 862 . 1 1 2 CYS N N 4.594 0.111 -1.971 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 8 . 863 . 1 1 2 CYS O O 6.682 1.556 -3.859 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 8 . 864 . 1 1 2 CYS SG S 6.412 -2.130 -1.386 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 8 . 865 . 1 1 3 VAL C C 7.668 4.226 -3.581 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 8 . 866 . 1 1 3 VAL CA C 6.226 4.179 -3.089 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 8 . 867 . 1 1 3 VAL CB C 5.920 5.469 -2.306 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 8 . 868 . 1 1 3 VAL CG1 C 4.419 5.647 -2.135 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 8 . 869 . 1 1 3 VAL CG2 C 6.620 5.451 -0.955 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 8 . 870 . 1 1 3 VAL H H 5.635 3.101 -1.366 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 8 . 871 . 1 1 3 VAL HA H 5.565 4.135 -3.942 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 8 . 872 . 1 1 3 VAL HB H 6.297 6.308 -2.872 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 8 . 873 . 1 1 3 VAL HG11 H 4.214 6.055 -1.156 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 8 . 874 . 1 1 3 VAL HG12 H 4.048 6.323 -2.892 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 8 . 875 . 1 1 3 VAL HG13 H 3.929 4.690 -2.235 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 8 . 876 . 1 1 3 VAL HG21 H 7.224 6.340 -0.852 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 8 . 877 . 1 1 3 VAL HG22 H 5.881 5.425 -0.167 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 8 . 878 . 1 1 3 VAL HG23 H 7.249 4.577 -0.887 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 8 . 879 . 1 1 3 VAL N N 5.988 2.994 -2.273 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 8 . 880 . 1 1 3 VAL O O 8.584 4.260 -2.761 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 8 . 881 . 1 1 4 . C C 9.577 2.862 -5.907 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 8 . 882 . 1 1 4 . CA C 9.167 4.272 -5.479 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 8 . 883 . 1 1 4 . CB C 9.221 5.299 -6.612 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 8 . 884 . 1 1 4 . CD1 C 7.816 7.383 -6.819 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 8 . 885 . 1 1 4 . CD2 C 10.330 7.563 -6.532 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 8 . 886 . 1 1 4 . CG C 9.069 6.764 -6.197 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 8 . 887 . 1 1 4 . H H 7.086 4.201 -5.556 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 8 . 888 . 1 1 4 . HA H 9.853 4.611 -4.703 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 8 . 889 . 1 1 4 . HB2 H 8.435 5.062 -7.329 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 8 . 890 . 1 1 4 . HB3 H 10.172 5.187 -7.132 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 8 . 891 . 1 1 4 . HD11 H 7.001 6.659 -6.790 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 8 . 892 . 1 1 4 . HD12 H 8.021 7.658 -7.853 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 8 . 893 . 1 1 4 . HD13 H 7.532 8.272 -6.256 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 8 . 894 . 1 1 4 . HD21 H 11.167 7.184 -5.946 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 8 . 895 . 1 1 4 . HD22 H 10.167 8.615 -6.297 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 8 . 896 . 1 1 4 . HD23 H 10.554 7.459 -7.594 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 8 . 897 . 1 1 4 . HG H 8.943 6.801 -5.114 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 8 . 898 . 1 1 4 . N N 7.837 4.228 -4.895 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 8 . 899 . 1 1 4 . O O 10.335 2.663 -6.857 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 8 . 900 . 1 1 5 TYR C C 8.108 -0.254 -5.946 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 8 . 901 . 1 1 5 TYR CA C 9.354 0.481 -5.461 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 8 . 902 . 1 1 5 TYR CB C 9.910 -0.205 -4.212 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 8 . 903 . 1 1 5 TYR CD1 C 10.313 1.554 -2.445 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 8 . 904 . 1 1 5 TYR CD2 C 12.203 0.636 -3.570 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 8 . 905 . 1 1 5 TYR CE1 C 11.145 2.363 -1.696 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 8 . 906 . 1 1 5 TYR CE2 C 13.043 1.440 -2.824 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 8 . 907 . 1 1 5 TYR CG C 10.826 0.678 -3.394 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 8 . 908 . 1 1 5 TYR CZ C 12.510 2.302 -1.889 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 8 . 909 . 1 1 5 TYR H H 8.459 2.101 -4.436 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 8 . 910 . 1 1 5 TYR HA H 10.102 0.450 -6.239 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 8 . 911 . 1 1 5 TYR HB2 H 9.090 -0.507 -3.579 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 8 . 912 . 1 1 5 TYR HB3 H 10.470 -1.080 -4.508 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 8 . 913 . 1 1 5 TYR HD1 H 9.244 1.599 -2.296 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 8 . 914 . 1 1 5 TYR HD2 H 12.618 -0.040 -4.304 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 8 . 915 . 1 1 5 TYR HE1 H 10.728 3.038 -0.963 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 8 . 916 . 1 1 5 TYR HE2 H 14.112 1.393 -2.975 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 8 . 917 . 1 1 5 TYR HH H 13.421 2.750 -0.256 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 8 . 918 . 1 1 5 TYR N N 9.057 1.880 -5.180 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 8 . 919 . 1 1 5 TYR O O 7.488 -1.027 -5.215 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 8 . 920 . 1 1 5 TYR OH O 13.343 3.105 -1.145 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 8 . 921 . 1 1 6 PRO C C 6.762 -2.129 -8.069 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 8 . 922 . 1 1 6 PRO CA C 6.558 -0.638 -7.822 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 8 . 923 . 1 1 6 PRO CB C 6.409 0.109 -9.151 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 8 . 924 . 1 1 6 PRO CD C 8.424 0.901 -8.138 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 8 . 925 . 1 1 6 PRO CG C 7.779 0.604 -9.463 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 8 . 926 . 1 1 6 PRO HA H 5.671 -0.491 -7.223 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 8 . 927 . 1 1 6 PRO HB2 H 6.051 -0.572 -9.910 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 8 . 928 . 1 1 6 PRO HB3 H 5.712 0.925 -9.033 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 8 . 929 . 1 1 6 PRO HD2 H 9.481 0.683 -8.175 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 8 . 930 . 1 1 6 PRO HD3 H 8.259 1.932 -7.861 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 8 . 931 . 1 1 6 PRO HG2 H 8.334 -0.159 -9.987 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 8 . 932 . 1 1 6 PRO HG3 H 7.717 1.502 -10.059 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 8 . 933 . 1 1 6 PRO N N 7.732 -0.009 -7.209 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 8 . 934 . 1 1 6 PRO O O 5.841 -2.829 -8.491 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 8 . 935 . 1 1 7 TRP C C 8.115 -4.799 -6.700 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 8 . 936 . 1 1 7 TRP CA C 8.295 -4.016 -7.997 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 8 . 937 . 1 1 7 TRP CB C 9.731 -4.167 -8.502 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 8 . 938 . 1 1 7 TRP CD1 C 11.279 -3.893 -6.479 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 8 . 939 . 1 1 7 TRP CD2 C 11.320 -2.170 -7.910 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 8 . 940 . 1 1 7 TRP CE2 C 12.208 -1.896 -6.851 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 8 . 941 . 1 1 7 TRP CE3 C 11.181 -1.228 -8.932 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 8 . 942 . 1 1 7 TRP CG C 10.737 -3.452 -7.652 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 8 . 943 . 1 1 7 TRP CH2 C 12.793 0.185 -7.802 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 8 . 944 . 1 1 7 TRP CZ2 C 12.950 -0.720 -6.787 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 8 . 945 . 1 1 7 TRP CZ3 C 11.917 -0.061 -8.867 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 8 . 946 . 1 1 7 TRP H H 8.664 -1.999 -7.469 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 8 . 947 . 1 1 7 TRP HA H 7.618 -4.412 -8.739 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 8 . 948 . 1 1 7 TRP HB2 H 9.992 -5.214 -8.519 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 8 . 949 . 1 1 7 TRP HB3 H 9.795 -3.767 -9.504 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 8 . 950 . 1 1 7 TRP HD1 H 11.037 -4.836 -6.013 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 8 . 951 . 1 1 7 TRP HE1 H 12.681 -3.048 -5.162 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 8 . 952 . 1 1 7 TRP HE3 H 10.511 -1.399 -9.762 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 8 . 953 . 1 1 7 TRP HH2 H 13.348 1.111 -7.792 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 8 . 954 . 1 1 7 TRP HZ2 H 13.630 -0.516 -5.973 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 8 . 955 . 1 1 7 TRP HZ3 H 11.822 0.680 -9.648 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 8 . 956 . 1 1 7 TRP N N 7.971 -2.607 -7.803 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 8 . 957 . 1 1 7 TRP NE1 N 12.164 -2.962 -5.991 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 8 . 958 . 1 1 7 TRP O O 8.788 -5.804 -6.471 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 8 . 959 . 1 1 8 CYS C C 5.863 -6.065 -4.739 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 8 . 960 . 1 1 8 CYS CA C 6.933 -4.989 -4.581 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 8 . 961 . 1 1 8 CYS CB C 6.488 -3.961 -3.538 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 8 . 962 . 1 1 8 CYS H H 6.696 -3.527 -6.094 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 8 . 963 . 1 1 8 CYS HA H 7.848 -5.454 -4.248 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 8 . 964 . 1 1 8 CYS HB2 H 5.983 -3.148 -4.039 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 8 . 965 . 1 1 8 CYS HB3 H 5.804 -4.433 -2.848 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 8 . 966 . 1 1 8 CYS N N 7.202 -4.333 -5.855 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 8 . 967 . 1 1 8 CYS O O 5.062 -6.026 -5.673 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 8 . 968 . 1 1 8 CYS SG S 7.855 -3.249 -2.567 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 9 . 969 . 1 1 1 GLY C C 3.702 0.028 -1.011 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 9 . 970 . 1 1 1 GLY CA C 2.327 -0.504 -1.363 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 9 . 971 . 1 1 1 GLY H1 H 1.862 -0.730 0.690 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 9 . 972 . 1 1 1 GLY HA2 H 2.436 -1.475 -1.824 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 9 . 973 . 1 1 1 GLY HA3 H 1.863 0.169 -2.069 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 9 . 974 . 1 1 1 GLY N N 1.467 -0.630 -0.201 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 9 . 975 . 1 1 1 GLY O O 3.979 0.334 0.149 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 9 . 976 . 1 1 2 CYS C C 6.230 1.789 -2.756 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 9 . 977 . 1 1 2 CYS CA C 5.921 0.636 -1.805 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 9 . 978 . 1 1 2 CYS CB C 6.937 -0.491 -2.005 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 9 . 979 . 1 1 2 CYS H H 4.287 -0.121 -2.917 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 9 . 980 . 1 1 2 CYS HA H 5.990 0.995 -0.789 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 9 . 981 . 1 1 2 CYS HB2 H 7.165 -0.577 -3.058 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 9 . 982 . 1 1 2 CYS HB3 H 7.841 -0.251 -1.465 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 9 . 983 . 1 1 2 CYS N N 4.567 0.139 -2.014 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 9 . 984 . 1 1 2 CYS O O 6.678 1.576 -3.882 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 9 . 985 . 1 1 2 CYS SG S 6.363 -2.121 -1.429 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 9 . 986 . 1 1 3 VAL C C 7.686 4.236 -3.585 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 9 . 987 . 1 1 3 VAL CA C 6.241 4.198 -3.101 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 9 . 988 . 1 1 3 VAL CB C 5.942 5.487 -2.312 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 9 . 989 . 1 1 3 VAL CG1 C 4.442 5.678 -2.149 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 9 . 990 . 1 1 3 VAL CG2 C 6.634 5.456 -0.958 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 9 . 991 . 1 1 3 VAL H H 5.631 3.117 -1.386 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 9 . 992 . 1 1 3 VAL HA H 5.584 4.165 -3.958 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 9 . 993 . 1 1 3 VAL HB H 6.330 6.326 -2.872 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 9 . 994 . 1 1 3 VAL HG11 H 4.223 6.729 -2.028 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 9 . 995 . 1 1 3 VAL HG12 H 3.933 5.301 -3.024 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 9 . 996 . 1 1 3 VAL HG13 H 4.104 5.138 -1.276 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 9 . 997 . 1 1 3 VAL HG21 H 5.891 5.412 -0.176 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 9 . 998 . 1 1 3 VAL HG22 H 7.272 4.586 -0.899 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 9 . 999 . 1 1 3 VAL HG23 H 7.232 6.348 -0.838 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 9 . 1000 . 1 1 3 VAL N N 5.988 3.011 -2.293 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 9 . 1001 . 1 1 3 VAL O O 8.598 4.257 -2.760 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 9 . 1002 . 1 1 4 . C C 9.596 2.867 -5.908 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 9 . 1003 . 1 1 4 . CA C 9.195 4.278 -5.474 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 9 . 1004 . 1 1 4 . CB C 9.265 5.311 -6.601 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 9 . 1005 . 1 1 4 . CD1 C 7.879 7.407 -6.805 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 9 . 1006 . 1 1 4 . CD2 C 10.393 7.564 -6.505 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 9 . 1007 . 1 1 4 . CG C 9.123 6.775 -6.180 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 9 . 1008 . 1 1 4 . H H 7.115 4.226 -5.563 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 9 . 1009 . 1 1 4 . HA H 9.880 4.607 -4.693 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 9 . 1010 . 1 1 4 . HB2 H 8.481 5.084 -7.324 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 9 . 1011 . 1 1 4 . HB3 H 10.218 5.193 -7.117 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 9 . 1012 . 1 1 4 . HD11 H 7.482 8.169 -6.134 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 9 . 1013 . 1 1 4 . HD12 H 7.123 6.638 -6.968 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 9 . 1014 . 1 1 4 . HD13 H 8.144 7.865 -7.758 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 9 . 1015 . 1 1 4 . HD21 H 10.909 7.094 -7.342 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 9 . 1016 . 1 1 4 . HD22 H 11.048 7.574 -5.634 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 9 . 1017 . 1 1 4 . HD23 H 10.126 8.587 -6.771 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 9 . 1018 . 1 1 4 . HG H 8.992 6.807 -5.098 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 9 . 1019 . 1 1 4 . N N 7.862 4.243 -4.898 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 9 . 1020 . 1 1 4 . O O 10.358 2.666 -6.854 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 9 . 1021 . 1 1 5 TYR C C 8.100 -0.236 -5.970 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 9 . 1022 . 1 1 5 TYR CA C 9.349 0.485 -5.475 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 9 . 1023 . 1 1 5 TYR CB C 9.893 -0.212 -4.226 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 9 . 1024 . 1 1 5 TYR CD1 C 10.301 1.535 -2.448 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 9 . 1025 . 1 1 5 TYR CD2 C 12.189 0.606 -3.567 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 9 . 1026 . 1 1 5 TYR CE1 C 11.136 2.332 -1.690 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 9 . 1027 . 1 1 5 TYR CE2 C 13.032 1.398 -2.812 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 9 . 1028 . 1 1 5 TYR CG C 10.811 0.659 -3.398 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 9 . 1029 . 1 1 5 TYR CZ C 12.501 2.260 -1.876 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 9 . 1030 . 1 1 5 TYR H H 8.463 2.108 -4.446 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 9 . 1031 . 1 1 5 TYR HA H 10.102 0.452 -6.249 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 9 . 1032 . 1 1 5 TYR HB2 H 9.066 -0.509 -3.600 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 9 . 1033 . 1 1 5 TYR HB3 H 10.447 -1.090 -4.524 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 9 . 1034 . 1 1 5 TYR HD1 H 9.231 1.589 -2.305 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 9 . 1035 . 1 1 5 TYR HD2 H 12.602 -0.070 -4.302 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 9 . 1036 . 1 1 5 TYR HE1 H 10.720 3.007 -0.956 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 9 . 1037 . 1 1 5 TYR HE2 H 14.101 1.343 -2.958 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 9 . 1038 . 1 1 5 TYR HH H 12.924 3.240 -0.276 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 9 . 1039 . 1 1 5 TYR N N 9.063 1.886 -5.188 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 9 . 1040 . 1 1 5 TYR O O 7.469 -1.008 -5.247 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 9 . 1041 . 1 1 5 TYR OH O 13.337 3.053 -1.123 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 9 . 1042 . 1 1 6 PRO C C 6.749 -2.088 -8.111 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 9 . 1043 . 1 1 6 PRO CA C 6.557 -0.596 -7.858 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 9 . 1044 . 1 1 6 PRO CB C 6.422 0.158 -9.183 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 9 . 1045 . 1 1 6 PRO CD C 8.438 0.928 -8.155 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 9 . 1046 . 1 1 6 PRO CG C 7.798 0.643 -9.485 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 9 . 1047 . 1 1 6 PRO HA H 5.668 -0.445 -7.263 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 9 . 1048 . 1 1 6 PRO HB2 H 6.062 -0.515 -9.948 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 9 . 1049 . 1 1 6 PRO HB3 H 5.732 0.980 -9.065 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 9 . 1050 . 1 1 6 PRO HD2 H 9.494 0.701 -8.187 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 9 . 1051 . 1 1 6 PRO HD3 H 8.281 1.958 -7.873 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 9 . 1052 . 1 1 6 PRO HG2 H 8.350 -0.122 -10.010 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 9 . 1053 . 1 1 6 PRO HG3 H 7.748 1.544 -10.077 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 9 . 1054 . 1 1 6 PRO N N 7.733 0.019 -7.235 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 9 . 1055 . 1 1 6 PRO O O 5.825 -2.777 -8.542 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 9 . 1056 . 1 1 7 TRP C C 8.071 -4.777 -6.749 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 9 . 1057 . 1 1 7 TRP CA C 8.265 -3.989 -8.040 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 9 . 1058 . 1 1 7 TRP CB C 9.703 -4.150 -8.538 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 9 . 1059 . 1 1 7 TRP CD1 C 11.242 -3.899 -6.504 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 9 . 1060 . 1 1 7 TRP CD2 C 11.306 -2.170 -7.926 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 9 . 1061 . 1 1 7 TRP CE2 C 12.190 -1.909 -6.861 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 9 . 1062 . 1 1 7 TRP CE3 C 11.180 -1.221 -8.944 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 9 . 1063 . 1 1 7 TRP CG C 10.711 -3.448 -7.679 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 9 . 1064 . 1 1 7 TRP CH2 C 12.798 0.172 -7.798 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 9 . 1065 . 1 1 7 TRP CZ2 C 12.942 -0.739 -6.787 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 9 . 1066 . 1 1 7 TRP CZ3 C 11.926 -0.061 -8.870 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 9 . 1067 . 1 1 7 TRP H H 8.649 -1.978 -7.500 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 9 . 1068 . 1 1 7 TRP HA H 7.589 -4.375 -8.788 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 9 . 1069 . 1 1 7 TRP HB2 H 9.955 -5.199 -8.558 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 9 . 1070 . 1 1 7 TRP HB3 H 9.776 -3.746 -9.537 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 9 . 1071 . 1 1 7 TRP HD1 H 10.989 -4.843 -6.045 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 9 . 1072 . 1 1 7 TRP HE1 H 12.644 -3.073 -5.176 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 9 . 1073 . 1 1 7 TRP HE3 H 10.514 -1.383 -9.779 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 9 . 1074 . 1 1 7 TRP HH2 H 13.361 1.093 -7.780 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 9 . 1075 . 1 1 7 TRP HZ2 H 13.619 -0.545 -5.968 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 9 . 1076 . 1 1 7 TRP HZ3 H 11.842 0.684 -9.647 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 9 . 1077 . 1 1 7 TRP N N 7.953 -2.579 -7.841 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 9 . 1078 . 1 1 7 TRP NE1 N 12.133 -2.978 -6.007 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 9 . 1079 . 1 1 7 TRP O O 8.734 -5.789 -6.521 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 9 . 1080 . 1 1 8 CYS C C 5.797 -6.033 -4.806 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 9 . 1081 . 1 1 8 CYS CA C 6.875 -4.967 -4.637 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 9 . 1082 . 1 1 8 CYS CB C 6.434 -3.941 -3.591 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 9 . 1083 . 1 1 8 CYS H H 6.660 -3.495 -6.143 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 9 . 1084 . 1 1 8 CYS HA H 7.784 -5.443 -4.301 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 9 . 1085 . 1 1 8 CYS HB2 H 5.939 -3.120 -4.090 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 9 . 1086 . 1 1 8 CYS HB3 H 5.742 -4.410 -2.908 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 9 . 1087 . 1 1 8 CYS N N 7.157 -4.307 -5.906 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 9 . 1088 . 1 1 8 CYS O O 5.499 -6.782 -3.875 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 9 . 1089 . 1 1 8 CYS SG S 7.802 -3.246 -2.608 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 1
. 10 . 1090 . 1 1 1 GLY C C 3.778 -0.001 -0.916 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6f 1
. 10 . 1091 . 1 1 1 GLY CA C 2.401 -0.542 -1.248 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6f 1
. 10 . 1092 . 1 1 1 GLY H1 H 0.456 0.029 -0.638 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6f 1
. 10 . 1093 . 1 1 1 GLY HA2 H 2.431 -1.621 -1.209 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6f 1
. 10 . 1094 . 1 1 1 GLY HA3 H 2.139 -0.236 -2.250 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6f 1
. 10 . 1095 . 1 1 1 GLY N N 1.382 -0.068 -0.331 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6f 1
. 10 . 1096 . 1 1 1 GLY O O 4.069 0.310 0.239 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6f 1
. 10 . 1097 . 1 1 2 CYS C C 6.272 1.767 -2.701 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6f 1
. 10 . 1098 . 1 1 2 CYS CA C 5.983 0.617 -1.742 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6f 1
. 10 . 1099 . 1 1 2 CYS CB C 7.002 -0.505 -1.951 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6f 1
. 10 . 1100 . 1 1 2 CYS H H 4.338 -0.153 -2.830 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6f 1
. 10 . 1101 . 1 1 2 CYS HA H 6.063 0.980 -0.729 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6f 1
. 10 . 1102 . 1 1 2 CYS HB2 H 7.217 -0.594 -3.007 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6f 1
. 10 . 1103 . 1 1 2 CYS HB3 H 7.911 -0.258 -1.424 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6f 1
. 10 . 1104 . 1 1 2 CYS N N 4.628 0.111 -1.931 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6f 1
. 10 . 1105 . 1 1 2 CYS O O 6.707 1.553 -3.833 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6f 1
. 10 . 1106 . 1 1 2 CYS SG S 6.444 -2.136 -1.362 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6f 1
. 10 . 1107 . 1 1 3 VAL C C 7.703 4.219 -3.559 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6f 1
. 10 . 1108 . 1 1 3 VAL CA C 6.265 4.176 -3.056 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6f 1
. 10 . 1109 . 1 1 3 VAL CB C 5.969 5.466 -2.269 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6f 1
. 10 . 1110 . 1 1 3 VAL CG1 C 4.470 5.649 -2.087 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6f 1
. 10 . 1111 . 1 1 3 VAL CG2 C 6.678 5.444 -0.924 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6f 1
. 10 . 1112 . 1 1 3 VAL H H 5.683 3.098 -1.330 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6f 1
. 10 . 1113 . 1 1 3 VAL HA H 5.597 4.135 -3.905 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6f 1
. 10 . 1114 . 1 1 3 VAL HB H 6.345 6.304 -2.837 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6f 1
. 10 . 1115 . 1 1 3 VAL HG11 H 4.283 6.549 -1.519 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6f 1
. 10 . 1116 . 1 1 3 VAL HG12 H 3.996 5.728 -3.055 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6f 1
. 10 . 1117 . 1 1 3 VAL HG13 H 4.065 4.799 -1.557 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6f 1
. 10 . 1118 . 1 1 3 VAL HG21 H 5.945 5.420 -0.131 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6f 1
. 10 . 1119 . 1 1 3 VAL HG22 H 7.305 4.566 -0.861 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6f 1
. 10 . 1120 . 1 1 3 VAL HG23 H 7.289 6.329 -0.823 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6f 1
. 10 . 1121 . 1 1 3 VAL N N 6.029 2.990 -2.240 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6f 1
. 10 . 1122 . 1 1 3 VAL O O 8.625 4.249 -2.746 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6f 1
. 10 . 1123 . 1 1 4 . C C 9.591 2.852 -5.902 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6f 1
. 10 . 1124 . 1 1 4 . CA C 9.188 4.263 -5.468 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6f 1
. 10 . 1125 . 1 1 4 . CB C 9.237 5.291 -6.600 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6f 1
. 10 . 1126 . 1 1 4 . CD1 C 7.835 7.379 -6.793 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6f 1
. 10 . 1127 . 1 1 4 . CD2 C 10.352 7.552 -6.528 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6f 1
. 10 . 1128 . 1 1 4 . CG C 9.092 6.756 -6.182 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6f 1
. 10 . 1129 . 1 1 4 . H H 7.106 4.198 -5.529 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6f 1
. 10 . 1130 . 1 1 4 . HA H 9.881 4.599 -4.697 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6f 1
. 10 . 1131 . 1 1 4 . HB2 H 8.445 5.057 -7.312 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6f 1
. 10 . 1132 . 1 1 4 . HB3 H 10.184 5.177 -7.127 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6f 1
. 10 . 1133 . 1 1 4 . HD11 H 6.954 7.007 -6.269 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6f 1
. 10 . 1134 . 1 1 4 . HD12 H 7.771 7.109 -7.847 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6f 1
. 10 . 1135 . 1 1 4 . HD13 H 7.883 8.463 -6.698 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6f 1
. 10 . 1136 . 1 1 4 . HD21 H 11.225 6.906 -6.440 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6f 1
. 10 . 1137 . 1 1 4 . HD22 H 10.450 8.393 -5.840 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6f 1
. 10 . 1138 . 1 1 4 . HD23 H 10.277 7.925 -7.549 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6f 1
. 10 . 1139 . 1 1 4 . HG H 8.975 6.792 -5.099 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6f 1
. 10 . 1140 . 1 1 4 . N N 7.862 4.223 -4.875 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6f 1
. 10 . 1141 . 1 1 4 . O O 10.341 2.652 -6.857 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6f 1
. 10 . 1142 . 1 1 5 TYR C C 8.112 -0.260 -5.933 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6f 1
. 10 . 1143 . 1 1 5 TYR CA C 9.363 0.471 -5.456 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6f 1
. 10 . 1144 . 1 1 5 TYR CB C 9.927 -0.218 -4.212 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6f 1
. 10 . 1145 . 1 1 5 TYR CD1 C 10.348 1.537 -2.446 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6f 1
. 10 . 1146 . 1 1 5 TYR CD2 C 12.227 0.615 -3.586 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6f 1
. 10 . 1147 . 1 1 5 TYR CE1 C 11.189 2.343 -1.702 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6f 1
. 10 . 1148 . 1 1 5 TYR CE2 C 13.075 1.415 -2.846 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6f 1
. 10 . 1149 . 1 1 5 TYR CG C 10.851 0.661 -3.400 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6f 1
. 10 . 1150 . 1 1 5 TYR CZ C 12.551 2.278 -1.905 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6f 1
. 10 . 1151 . 1 1 5 TYR H H 8.481 2.093 -4.422 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6f 1
. 10 . 1152 . 1 1 5 TYR HA H 10.105 0.439 -6.240 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6f 1
. 10 . 1153 . 1 1 5 TYR HB2 H 9.110 -0.518 -3.574 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6f 1
. 10 . 1154 . 1 1 5 TYR HB3 H 10.482 -1.094 -4.514 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6f 1
. 10 . 1155 . 1 1 5 TYR HD1 H 9.280 1.586 -2.290 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6f 1
. 10 . 1156 . 1 1 5 TYR HD2 H 12.634 -0.061 -4.324 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6f 1
. 10 . 1157 . 1 1 5 TYR HE1 H 10.779 3.018 -0.966 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6f 1
. 10 . 1158 . 1 1 5 TYR HE2 H 14.142 1.365 -3.005 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6f 1
. 10 . 1159 . 1 1 5 TYR HH H 12.884 3.776 -0.747 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6f 1
. 10 . 1160 . 1 1 5 TYR N N 9.073 1.871 -5.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6f 1
. 10 . 1161 . 1 1 5 TYR O O 7.495 -1.032 -5.198 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6f 1
. 10 . 1162 . 1 1 5 TYR OH O 13.393 3.078 -1.167 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6f 1
. 10 . 1163 . 1 1 6 PRO C C 6.743 -2.127 -8.048 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6f 1
. 10 . 1164 . 1 1 6 PRO CA C 6.546 -0.635 -7.798 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6f 1
. 10 . 1165 . 1 1 6 PRO CB C 6.389 0.113 -9.124 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6f 1
. 10 . 1166 . 1 1 6 PRO CD C 8.414 0.898 -8.125 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6f 1
. 10 . 1167 . 1 1 6 PRO CG C 7.759 0.604 -9.446 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6f 1
. 10 . 1168 . 1 1 6 PRO HA H 5.664 -0.487 -7.192 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6f 1
. 10 . 1169 . 1 1 6 PRO HB2 H 6.024 -0.565 -9.882 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6f 1
. 10 . 1170 . 1 1 6 PRO HB3 H 5.696 0.931 -9.000 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6f 1
. 10 . 1171 . 1 1 6 PRO HD2 H 9.471 0.677 -8.171 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6f 1
. 10 . 1172 . 1 1 6 PRO HD3 H 8.255 1.929 -7.846 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6f 1
. 10 . 1173 . 1 1 6 PRO HG2 H 8.307 -0.160 -9.976 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6f 1
. 10 . 1174 . 1 1 6 PRO HG3 H 7.695 1.503 -10.041 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6f 1
. 10 . 1175 . 1 1 6 PRO N N 7.727 -0.011 -7.193 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6f 1
. 10 . 1176 . 1 1 6 PRO O O 5.817 -2.823 -8.464 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6f 1
. 10 . 1177 . 1 1 7 TRP C C 8.098 -4.803 -6.693 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6f 1
. 10 . 1178 . 1 1 7 TRP CA C 8.271 -4.020 -7.990 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6f 1
. 10 . 1179 . 1 1 7 TRP CB C 9.703 -4.174 -8.506 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6f 1
. 10 . 1180 . 1 1 7 TRP CD1 C 11.268 -3.907 -6.494 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6f 1
. 10 . 1181 . 1 1 7 TRP CD2 C 11.303 -2.183 -7.923 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6f 1
. 10 . 1182 . 1 1 7 TRP CE2 C 12.199 -1.913 -6.871 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6f 1
. 10 . 1183 . 1 1 7 TRP CE3 C 11.158 -1.239 -8.943 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6f 1
. 10 . 1184 . 1 1 7 TRP CG C 10.718 -3.463 -7.663 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6f 1
. 10 . 1185 . 1 1 7 TRP CH2 C 12.783 0.168 -7.823 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6f 1
. 10 . 1186 . 1 1 7 TRP CZ2 C 12.945 -0.738 -6.811 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6f 1
. 10 . 1187 . 1 1 7 TRP CZ3 C 11.899 -0.073 -8.882 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6f 1
. 10 . 1188 . 1 1 7 TRP H H 8.651 -2.004 -7.463 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6f 1
. 10 . 1189 . 1 1 7 TRP HA H 7.588 -4.412 -8.728 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6f 1
. 10 . 1190 . 1 1 7 TRP HB2 H 9.961 -5.222 -8.526 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6f 1
. 10 . 1191 . 1 1 7 TRP HB3 H 9.761 -3.773 -9.508 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6f 1
. 10 . 1192 . 1 1 7 TRP HD1 H 11.026 -4.850 -6.028 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6f 1
. 10 . 1193 . 1 1 7 TRP HE1 H 12.682 -3.068 -5.187 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6f 1
. 10 . 1194 . 1 1 7 TRP HE3 H 10.481 -1.407 -9.768 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6f 1
. 10 . 1195 . 1 1 7 TRP HH2 H 13.341 1.092 -7.816 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6f 1
. 10 . 1196 . 1 1 7 TRP HZ2 H 13.632 -0.538 -6.001 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6f 1
. 10 . 1197 . 1 1 7 TRP HZ3 H 11.800 0.668 -9.662 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6f 1
. 10 . 1198 . 1 1 7 TRP N N 7.954 -2.610 -7.792 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6f 1
. 10 . 1199 . 1 1 7 TRP NE1 N 12.159 -2.979 -6.012 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6f 1
. 10 . 1200 . 1 1 7 TRP O O 8.770 -5.811 -6.471 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6f 1
. 10 . 1201 . 1 1 8 CYS C C 5.857 -6.065 -4.717 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6f 1
. 10 . 1202 . 1 1 8 CYS CA C 6.932 -4.992 -4.565 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6f 1
. 10 . 1203 . 1 1 8 CYS CB C 6.498 -3.965 -3.518 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6f 1
. 10 . 1204 . 1 1 8 CYS H H 6.688 -3.527 -6.074 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6f 1
. 10 . 1205 . 1 1 8 CYS HA H 7.848 -5.461 -4.240 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6f 1
. 10 . 1206 . 1 1 8 CYS HB2 H 5.992 -3.149 -4.013 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6f 1
. 10 . 1207 . 1 1 8 CYS HB3 H 5.818 -4.435 -2.823 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6f 1
. 10 . 1208 . 1 1 8 CYS N N 7.193 -4.335 -5.840 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6f 1
. 10 . 1209 . 1 1 8 CYS O O 5.032 -6.007 -5.629 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6f 1
. 10 . 1210 . 1 1 8 CYS SG S 7.874 -3.258 -2.556 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6f 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_2m6f
_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 2m6f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 8 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 3 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 4 distance "general distance" simple 4 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 5 distance NOE simple 53 rr_2m6f 1
1 2m6f.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2m6f 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_2m6f
_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 "From CCPN project: '2m6f'" . . . . distance "general distance" . 4 rr_2m6f 1
2 "From CCPN project: '2m6f'" . . . . distance "general distance" . 39 rr_2m6f 1
3 "From CCPN project: '2m6f'" . . . . distance "hydrogen bond" . 3 rr_2m6f 1
4 "From CCPN project: '2m6f'" . . . . "dihedral angle" "Not applicable" . 6 rr_2m6f 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 2m6f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 8 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 3 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 4 distance "general distance" simple 4 rr_2m6f 1
1 2m6f.mr . . DYANA/DIANA 5 distance NOE simple 53 rr_2m6f 1
1 2m6f.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2m6f 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_2m6f
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type "general distance"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
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_2m6f 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 . . 1 1 2 2 CYS SG S . . . 1 1 8 8 CYS SG S . . . . . . . 2.1 . . . . . A . 2 CYS SG . . A . 8 CYS SG . . . 2 CYSS SG . . . . . 8 CYSS SG . . rr_2m6f 1
2 1 . . 1 1 2 2 CYS SG S . . . 1 1 8 8 CYS CB C . . . . . . . 3.1 . . . . . A . 2 CYS SG . . A . 8 CYS CB . . . 2 CYSS SG . . . . . 8 CYSS CB . . rr_2m6f 1
3 1 . . 1 1 8 8 CYS SG S . . . 1 1 2 2 CYS CB C . . . . . . . 3.1 . . . . . A . 8 CYS SG . . A . 2 CYS CB . . . 8 CYSS SG . . . . . 2 CYSS CB . . rr_2m6f 1
4 1 . . 1 1 8 8 CYS CB C . . . 1 1 2 2 CYS CB C . . . . . . . 4.5 . . . . . A . 8 CYS CB . . A . 2 CYS CB . . . 8 CYSS CB . . . . . 2 CYSS CB . . rr_2m6f 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_2m6f
_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 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_2m6f 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 OR . 1 1 1 1 GLY H1 H . . . 1 1 1 1 GLY HA2 H . . . . . . . 3.0 . . . . . A . 1 GLY H1 . . A . 1 GLY HA2 . . . 1 GLY H . . . . . 1 GLY QA . . rr_2m6f 2
1 2 OR . 1 1 1 1 GLY H1 H . . . 1 1 1 1 GLY HA3 H . . . . . . . 3.0 . . . . . A . 1 GLY H1 . . A . 1 GLY HA3 . . . 1 GLY H . . . . . 1 GLY QA . . rr_2m6f 2
2 1 OR . 1 1 2 2 CYS H H . . . 1 1 1 1 GLY HA2 H . . . . . . . 2.4 . . . . . A . 2 CYS H . . A . 1 GLY HA2 . . . 2 CYSS H . . . . . 1 GLY QA . . rr_2m6f 2
2 2 OR . 1 1 1 1 GLY HA3 H . . . 1 1 2 2 CYS H H . . . . . . . 2.4 . . . . . A . 1 GLY HA3 . . A . 2 CYS H . . . 1 GLY QA . . . . . 2 CYSS H . . rr_2m6f 2
3 1 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.0 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 CYSS H . . . . . 2 CYSS QB . . rr_2m6f 2
3 2 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.0 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 CYSS H . . . . . 2 CYSS QB . . rr_2m6f 2
4 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HA H . . . . . . . 3.0 . . . . . A . 2 CYS H . . A . 2 CYS HA . . . 2 CYSS H . . . . . 2 CYSS HA . . rr_2m6f 2
5 1 . . 1 1 2 2 CYS H H . . . 1 1 3 3 VAL H H . . . . . . . 4.0 . . . . . A . 2 CYS H . . A . 3 VAL H . . . 2 CYSS H . . . . . 3 VAL H . . rr_2m6f 2
6 1 . . 1 1 2 2 CYS HA H . . . 1 1 3 3 VAL H H . . . . . . . 2.4 . . . . . A . 2 CYS HA . . A . 3 VAL H . . . 2 CYSS HA . . . . . 3 VAL H . . rr_2m6f 2
7 1 OR . 1 1 5 5 TYR QD H . . . 1 1 2 2 CYS HB2 H . . . . . . . 4.0 . . . . . A . 5 TYR QD . . A . 2 CYS HB2 . . . 5 TYR QD . . . . . 2 CYSS QB . . rr_2m6f 2
7 2 OR . 1 1 2 2 CYS HB3 H . . . 1 1 5 5 TYR QD H . . . . . . . 4.0 . . . . . A . 2 CYS HB3 . . A . 5 TYR QD . . . 2 CYSS QB . . . . . 5 TYR QD . . rr_2m6f 2
8 1 . . 1 1 2 2 CYS HA H . . . 1 1 5 5 TYR QD H . . . . . . . 4.0 . . . . . A . 2 CYS HA . . A . 5 TYR QD . . . 2 CYSS HA . . . . . 5 TYR QD . . rr_2m6f 2
9 1 . . 1 1 2 2 CYS HA H . . . 1 1 5 5 TYR QE H . . . . . . . 5.0 . . . . . A . 2 CYS HA . . A . 5 TYR QE . . . 2 CYSS HA . . . . . 5 TYR QE . . rr_2m6f 2
10 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HA H . . . . . . . 3.0 . . . . . A . 3 VAL H . . A . 3 VAL HA . . . 3 VAL H . . . . . 3 VAL HA . . rr_2m6f 2
11 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HB H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 3 VAL HB . . . 3 VAL H . . . . . 3 VAL HB . . rr_2m6f 2
12 1 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG1 H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 3 VAL MG1 . . . 3 VAL H . . . . . 3 VAL QQG . . rr_2m6f 2
12 2 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG2 H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 3 VAL MG2 . . . 3 VAL H . . . . . 3 VAL QQG . . rr_2m6f 2
13 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL HB H . . . . . . . 2.5 . . . . . A . 3 VAL HA . . A . 3 VAL HB . . . 3 VAL HA . . . . . 3 VAL HB . . rr_2m6f 2
14 1 OR . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG1 H . . . . . . . 3.0 . . . . . A . 3 VAL HA . . A . 3 VAL MG1 . . . 3 VAL HA . . . . . 3 VAL QQG . . rr_2m6f 2
14 2 OR . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG2 H . . . . . . . 3.0 . . . . . A . 3 VAL HA . . A . 3 VAL MG2 . . . 3 VAL HA . . . . . 3 VAL QQG . . rr_2m6f 2
15 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HA H . . . . . . . 3.0 . . . . . A . 5 TYR H . . A . 5 TYR HA . . . 5 TYR H . . . . . 5 TYR HA . . rr_2m6f 2
16 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HA H . . . . . . . 3.0 . . . . . A . 5 TYR QD . . A . 5 TYR HA . . . 5 TYR QD . . . . . 5 TYR HA . . rr_2m6f 2
17 1 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB2 H . . . . . . . 3.5 . . . . . A . 5 TYR QD . . A . 5 TYR HB2 . . . 5 TYR QD . . . . . 5 TYR QB . . rr_2m6f 2
17 2 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB3 H . . . . . . . 3.5 . . . . . A . 5 TYR QD . . A . 5 TYR HB3 . . . 5 TYR QD . . . . . 5 TYR QB . . rr_2m6f 2
18 1 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB2 H . . . . . . . 3.5 . . . . . A . 5 TYR HA . . A . 5 TYR HB2 . . . 5 TYR HA . . . . . 5 TYR QB . . rr_2m6f 2
18 2 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB3 H . . . . . . . 3.5 . . . . . A . 5 TYR HA . . A . 5 TYR HB3 . . . 5 TYR HA . . . . . 5 TYR QB . . rr_2m6f 2
19 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HA H . . . . . . . 3.0 . . . . . A . 5 TYR H . . A . 5 TYR HA . . . 5 TYR H . . . . . 5 TYR HA . . rr_2m6f 2
20 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . . . 4.0 . . . . . A . 5 TYR H . . A . 5 TYR HB2 . . . 5 TYR H . . . . . 5 TYR QB . . rr_2m6f 2
20 2 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB3 H . . . . . . . 4.0 . . . . . A . 5 TYR H . . A . 5 TYR HB3 . . . 5 TYR H . . . . . 5 TYR QB . . rr_2m6f 2
21 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR H H . . . . . . . 4.5 . . . . . A . 5 TYR QD . . A . 5 TYR H . . . 5 TYR QD . . . . . 5 TYR H . . rr_2m6f 2
22 1 OR . 1 1 5 5 TYR QE H . . . 1 1 5 5 TYR HB2 H . . . . . . . 4.5 . . . . . A . 5 TYR QE . . A . 5 TYR HB2 . . . 5 TYR QE . . . . . 5 TYR QB . . rr_2m6f 2
22 2 OR . 1 1 5 5 TYR QE H . . . 1 1 5 5 TYR HB3 H . . . . . . . 4.5 . . . . . A . 5 TYR QE . . A . 5 TYR HB3 . . . 5 TYR QE . . . . . 5 TYR QB . . rr_2m6f 2
23 1 . . 1 1 5 5 TYR QE H . . . 1 1 5 5 TYR HA H . . . . . . . 5.0 . . . . . A . 5 TYR QE . . A . 5 TYR HA . . . 5 TYR QE . . . . . 5 TYR HA . . rr_2m6f 2
24 1 . . 1 1 2 2 CYS H H . . . 1 1 6 6 PRO HA H . . . . . . . 4.5 . . . . . A . 2 CYS H . . A . 6 PRO HA . . . 2 CYSS H . . . . . 6 PRO HA . . rr_2m6f 2
25 1 OR . 1 1 5 5 TYR HA H . . . 1 1 6 6 PRO HD2 H . . . . . . . 2.4 . . . . . A . 5 TYR HA . . A . 6 PRO HD2 . . . 5 TYR HA . . . . . 6 PRO QD . . rr_2m6f 2
25 2 OR . 1 1 5 5 TYR HA H . . . 1 1 6 6 PRO HD3 H . . . . . . . 2.4 . . . . . A . 5 TYR HA . . A . 6 PRO HD3 . . . 5 TYR HA . . . . . 6 PRO QD . . rr_2m6f 2
26 1 . . 1 1 6 6 PRO HA H . . . 1 1 7 7 TRP H H . . . . . . . 3.5 . . . . . A . 6 PRO HA . . A . 7 TRP H . . . 6 PRO HA . . . . . 7 TRP H . . rr_2m6f 2
27 1 . . 1 1 6 6 PRO HA H . . . 1 1 8 8 CYS H H . . . . . . . 4.0 . . . . . A . 6 PRO HA . . A . 8 CYS H . . . 6 PRO HA . . . . . 8 CYSS H . . rr_2m6f 2
28 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HB2 H . . . . . . . 4.2 . . . . . A . 7 TRP H . . A . 6 PRO HB2 . . . 7 TRP H . . . . . 6 PRO QB . . rr_2m6f 2
28 2 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HB3 H . . . . . . . 4.2 . . . . . A . 7 TRP H . . A . 6 PRO HB3 . . . 7 TRP H . . . . . 6 PRO QB . . rr_2m6f 2
29 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG2 H . . . . . . . 4.2 . . . . . A . 7 TRP H . . A . 6 PRO HG2 . . . 7 TRP H . . . . . 6 PRO QG . . rr_2m6f 2
29 2 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG3 H . . . . . . . 4.2 . . . . . A . 7 TRP H . . A . 6 PRO HG3 . . . 7 TRP H . . . . . 6 PRO QG . . rr_2m6f 2
30 1 OR . 1 1 7 7 TRP HE3 H . . . 1 1 6 6 PRO HB2 H . . . . . . . 4.5 . . . . . A . 7 TRP HE3 . . A . 6 PRO HB2 . . . 7 TRP HE3 . . . . . 6 PRO QB . . rr_2m6f 2
30 2 OR . 1 1 6 6 PRO HB3 H . . . 1 1 7 7 TRP HE3 H . . . . . . . 4.5 . . . . . A . 6 PRO HB3 . . A . 7 TRP HE3 . . . 6 PRO QB . . . . . 7 TRP HE3 . . rr_2m6f 2
31 1 OR . 1 1 7 7 TRP HE3 H . . . 1 1 6 6 PRO HG2 H . . . . . . . 4.0 . . . . . A . 7 TRP HE3 . . A . 6 PRO HG2 . . . 7 TRP HE3 . . . . . 6 PRO QG . . rr_2m6f 2
31 2 OR . 1 1 6 6 PRO HG3 H . . . 1 1 7 7 TRP HE3 H . . . . . . . 4.0 . . . . . A . 6 PRO HG3 . . A . 7 TRP HE3 . . . 6 PRO QG . . . . . 7 TRP HE3 . . rr_2m6f 2
32 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HE3 H . . . . . . . 3.0 . . . . . A . 7 TRP H . . A . 7 TRP HE3 . . . 7 TRP H . . . . . 7 TRP HE3 . . rr_2m6f 2
33 1 OR . 1 1 7 7 TRP HA H . . . 1 1 7 7 TRP HB2 H . . . . . . . 2.4 . . . . . A . 7 TRP HA . . A . 7 TRP HB2 . . . 7 TRP HA . . . . . 7 TRP QB . . rr_2m6f 2
33 2 OR . 1 1 7 7 TRP HA H . . . 1 1 7 7 TRP HB3 H . . . . . . . 2.4 . . . . . A . 7 TRP HA . . A . 7 TRP HB3 . . . 7 TRP HA . . . . . 7 TRP QB . . rr_2m6f 2
34 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HA H . . . . . . . 3.0 . . . . . A . 7 TRP H . . A . 7 TRP HA . . . 7 TRP H . . . . . 7 TRP HA . . rr_2m6f 2
35 1 . . 1 1 8 8 CYS H H . . . 1 1 7 7 TRP HA H . . . . . . . 3.0 . . . . . A . 8 CYS H . . A . 7 TRP HA . . . 8 CYSS H . . . . . 7 TRP HA . . rr_2m6f 2
36 1 OR . 1 1 7 7 TRP HZ3 H . . . 1 1 6 6 PRO HG2 H . . . . . . . 5.0 . . . . . A . 7 TRP HZ3 . . A . 6 PRO HG2 . . . 7 TRP HZ3 . . . . . 6 PRO QG . . rr_2m6f 2
36 2 OR . 1 1 6 6 PRO HG3 H . . . 1 1 7 7 TRP HZ3 H . . . . . . . 5.0 . . . . . A . 6 PRO HG3 . . A . 7 TRP HZ3 . . . 6 PRO QG . . . . . 7 TRP HZ3 . . rr_2m6f 2
37 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 CYS H H . . . . . . . 3.1 . . . . . A . 7 TRP H . . A . 8 CYS H . . . 7 TRP H . . . . . 8 CYSS H . . rr_2m6f 2
38 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HA H . . . . . . . 3.0 . . . . . A . 8 CYS H . . A . 8 CYS HA . . . 8 CYSS H . . . . . 8 CYSS HA . . rr_2m6f 2
39 1 OR . 1 1 8 8 CYS HA H . . . 1 1 8 8 CYS HB2 H . . . . . . . 3.0 . . . . . A . 8 CYS HA . . A . 8 CYS HB2 . . . 8 CYSS HA . . . . . 8 CYSS QB . . rr_2m6f 2
39 2 OR . 1 1 8 8 CYS HA H . . . 1 1 8 8 CYS HB3 H . . . . . . . 3.0 . . . . . A . 8 CYS HA . . A . 8 CYS HB3 . . . 8 CYSS HA . . . . . 8 CYSS QB . . rr_2m6f 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 5 13 1 "Not handling restraint 13, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
2 5 16 1 "Not handling restraint 16, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_2m6f 2
3 5 17 1 "Not handling restraint 17, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6f 2
4 5 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
5 5 19 1 "Not handling restraint 19, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6f 2
6 5 20 1 "Not handling restraint 20, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HG' (nmrStar names) not linked" rr_2m6f 2
7 5 21 1 "Not handling restraint 21, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QQD' (nmrStar names) not linked" rr_2m6f 2
8 5 22 1 "Not handling restraint 22, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6f 2
9 5 23 1 "Not handling restraint 23, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6f 2
10 5 24 1 "Not handling restraint 24, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HG' (nmrStar names) not linked" rr_2m6f 2
11 5 25 1 "Not handling restraint 25, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
12 5 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
13 5 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
14 5 27 1 "Not handling restraint 27, item 1, resonance(s) ' .4.HG' (nmrStar names) not linked" rr_2m6f 2
15 5 35 1 "Not handling restraint 35, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6f 2
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2m6f
_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_2m6f 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 . . 1 1 5 5 TYR O O . . . 1 1 8 8 CYS N N . . . . . . . 3.2 . . . . . A . 5 TYR O . . A . 8 CYS N . . . 5 TYR O . . . . . 8 CYSS N . . rr_2m6f 3
2 1 . . 1 1 5 5 TYR H H . . . 1 1 2 2 CYS O O . . . . . . . 2.2 . . . . . A . 5 TYR H . . A . 2 CYS O . . . 5 TYR H . . . . . 2 CYSS O . . rr_2m6f 3
3 1 . . 1 1 2 2 CYS O O . . . 1 1 5 5 TYR N N . . . . . . . 3.2 . . . . . A . 2 CYS O . . A . 5 TYR N . . . 2 CYSS O . . . . . 5 TYR N . . rr_2m6f 3
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_2m6f
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
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_2m6f 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 . . . rr_2m6f 1
2 1 . . . rr_2m6f 1
3 1 . . . rr_2m6f 1
4 1 . . . rr_2m6f 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 1 . 1 . 1 1 2 2 CYS SG S . . . . 2 CYSS SG rr_2m6f 1
1 1 . 2 . 1 1 8 8 CYS SG S . . . . 8 CYSS SG rr_2m6f 1
2 1 . 1 . 1 1 2 2 CYS SG S . . . . 2 CYSS SG rr_2m6f 1
2 1 . 2 . 1 1 8 8 CYS CB C . . . . 8 CYSS CB rr_2m6f 1
3 1 . 1 . 1 1 2 2 CYS CB C . . . . 2 CYSS CB rr_2m6f 1
3 1 . 2 . 1 1 8 8 CYS SG S . . . . 8 CYSS SG rr_2m6f 1
4 1 . 1 . 1 1 2 2 CYS CB C . . . . 2 CYSS CB rr_2m6f 1
4 1 . 2 . 1 1 8 8 CYS CB C . . . . 8 CYSS CB rr_2m6f 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 1 . . . . . . . . 2.1 rr_2m6f 1
2 1 . . . . . . . . 3.1 rr_2m6f 1
3 1 . . . . . . . . 3.1 rr_2m6f 1
4 1 . . . . . . . . 4.5 rr_2m6f 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_2m6f
_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 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_2m6f 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 2 . OR rr_2m6f 2
1 2 . 3 . rr_2m6f 2
1 3 . . . rr_2m6f 2
2 1 2 . OR rr_2m6f 2
2 2 . 3 . rr_2m6f 2
2 3 . . . rr_2m6f 2
3 1 2 . OR rr_2m6f 2
3 2 . 3 . rr_2m6f 2
3 3 . . . rr_2m6f 2
4 1 . . . rr_2m6f 2
5 1 . . . rr_2m6f 2
6 1 . . . rr_2m6f 2
7 1 2 . OR rr_2m6f 2
7 2 . 3 . rr_2m6f 2
7 3 . . . rr_2m6f 2
8 1 . . . rr_2m6f 2
9 1 . . . rr_2m6f 2
10 1 . . . rr_2m6f 2
11 1 . . . rr_2m6f 2
12 1 2 . OR rr_2m6f 2
12 2 . 3 . rr_2m6f 2
12 3 . . . rr_2m6f 2
13 1 . . . rr_2m6f 2
14 1 2 . OR rr_2m6f 2
14 2 . 3 . rr_2m6f 2
14 3 . . . rr_2m6f 2
15 1 . . . rr_2m6f 2
16 1 . . . rr_2m6f 2
17 1 2 . OR rr_2m6f 2
17 2 . 3 . rr_2m6f 2
17 3 . . . rr_2m6f 2
18 1 2 . OR rr_2m6f 2
18 2 . 3 . rr_2m6f 2
18 3 . . . rr_2m6f 2
19 1 . . . rr_2m6f 2
20 1 2 . OR rr_2m6f 2
20 2 . 3 . rr_2m6f 2
20 3 . . . rr_2m6f 2
21 1 . . . rr_2m6f 2
22 1 2 . OR rr_2m6f 2
22 2 . 3 . rr_2m6f 2
22 3 . . . rr_2m6f 2
23 1 . . . rr_2m6f 2
24 1 . . . rr_2m6f 2
25 1 2 . OR rr_2m6f 2
25 2 . 3 . rr_2m6f 2
25 3 . . . rr_2m6f 2
26 1 . . . rr_2m6f 2
27 1 . . . rr_2m6f 2
28 1 2 . OR rr_2m6f 2
28 2 . 3 . rr_2m6f 2
28 3 . . . rr_2m6f 2
29 1 2 . OR rr_2m6f 2
29 2 . 3 . rr_2m6f 2
29 3 . . . rr_2m6f 2
30 1 2 . OR rr_2m6f 2
30 2 . 3 . rr_2m6f 2
30 3 . . . rr_2m6f 2
31 1 2 . OR rr_2m6f 2
31 2 . 3 . rr_2m6f 2
31 3 . . . rr_2m6f 2
32 1 . . . rr_2m6f 2
33 1 2 . OR rr_2m6f 2
33 2 . 3 . rr_2m6f 2
33 3 . . . rr_2m6f 2
34 1 . . . rr_2m6f 2
35 1 . . . rr_2m6f 2
36 1 2 . OR rr_2m6f 2
36 2 . 3 . rr_2m6f 2
36 3 . . . rr_2m6f 2
37 1 . . . rr_2m6f 2
38 1 . . . rr_2m6f 2
39 1 2 . OR rr_2m6f 2
39 2 . 3 . rr_2m6f 2
39 3 . . . rr_2m6f 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 2 . 1 . 1 1 1 1 GLY H1 H . . . . 1 GLY H rr_2m6f 2
1 2 . 2 . 1 1 1 1 GLY HA2 H . . . . 1 GLY QA rr_2m6f 2
1 3 . 1 . 1 1 1 1 GLY H1 H . . . . 1 GLY H rr_2m6f 2
1 3 . 2 . 1 1 1 1 GLY HA3 H . . . . 1 GLY QA rr_2m6f 2
2 2 . 1 . 1 1 1 1 GLY HA2 H . . . . 1 GLY QA rr_2m6f 2
2 2 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS H rr_2m6f 2
2 3 . 1 . 1 1 1 1 GLY HA3 H . . . . 1 GLY QA rr_2m6f 2
2 3 . 2 . 1 1 2 2 CYS H H . . . . 2 CYSS H rr_2m6f 2
3 2 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS H rr_2m6f 2
3 2 . 2 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS QB rr_2m6f 2
3 3 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS H rr_2m6f 2
3 3 . 2 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS QB rr_2m6f 2
4 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS H rr_2m6f 2
4 1 . 2 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_2m6f 2
5 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS H rr_2m6f 2
5 1 . 2 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6f 2
6 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_2m6f 2
6 1 . 2 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6f 2
7 2 . 1 . 1 1 2 2 CYS HB2 H . . . . 2 CYSS QB rr_2m6f 2
7 2 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6f 2
7 3 . 1 . 1 1 2 2 CYS HB3 H . . . . 2 CYSS QB rr_2m6f 2
7 3 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6f 2
8 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_2m6f 2
8 1 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6f 2
9 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_2m6f 2
9 1 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2m6f 2
10 1 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6f 2
10 1 . 2 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6f 2
11 1 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6f 2
11 1 . 2 . 1 1 3 3 VAL HB H . . . . 3 VAL HB rr_2m6f 2
12 2 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6f 2
12 2 . 2 . 1 1 3 3 VAL MG1 H . . . . 3 VAL QQG rr_2m6f 2
12 3 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6f 2
12 3 . 2 . 1 1 3 3 VAL MG2 H . . . . 3 VAL QQG rr_2m6f 2
13 1 . 1 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6f 2
13 1 . 2 . 1 1 3 3 VAL HB H . . . . 3 VAL HB rr_2m6f 2
14 2 . 1 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6f 2
14 2 . 2 . 1 1 3 3 VAL MG1 H . . . . 3 VAL QQG rr_2m6f 2
14 3 . 1 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6f 2
14 3 . 2 . 1 1 3 3 VAL MG2 H . . . . 3 VAL QQG rr_2m6f 2
15 1 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6f 2
15 1 . 2 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
16 1 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6f 2
16 1 . 2 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
17 2 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6f 2
17 2 . 2 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6f 2
17 3 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6f 2
17 3 . 2 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6f 2
18 2 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
18 2 . 2 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6f 2
18 3 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
18 3 . 2 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6f 2
19 1 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
19 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6f 2
20 2 . 1 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6f 2
20 2 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6f 2
20 3 . 1 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6f 2
20 3 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6f 2
21 1 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6f 2
21 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6f 2
22 2 . 1 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6f 2
22 2 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2m6f 2
22 3 . 1 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6f 2
22 3 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2m6f 2
23 1 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
23 1 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2m6f 2
24 1 . 1 . 1 1 2 2 CYS H H . . . . 2 CYSS H rr_2m6f 2
24 1 . 2 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6f 2
25 2 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
25 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 6 PRO QD rr_2m6f 2
25 3 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6f 2
25 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 6 PRO QD rr_2m6f 2
26 1 . 1 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6f 2
26 1 . 2 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
27 1 . 1 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6f 2
27 1 . 2 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6f 2
28 2 . 1 . 1 1 6 6 PRO HB2 H . . . . 6 PRO QB rr_2m6f 2
28 2 . 2 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
28 3 . 1 . 1 1 6 6 PRO HB3 H . . . . 6 PRO QB rr_2m6f 2
28 3 . 2 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
29 2 . 1 . 1 1 6 6 PRO HG2 H . . . . 6 PRO QG rr_2m6f 2
29 2 . 2 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
29 3 . 1 . 1 1 6 6 PRO HG3 H . . . . 6 PRO QG rr_2m6f 2
29 3 . 2 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
30 2 . 1 . 1 1 6 6 PRO HB2 H . . . . 6 PRO QB rr_2m6f 2
30 2 . 2 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6f 2
30 3 . 1 . 1 1 6 6 PRO HB3 H . . . . 6 PRO QB rr_2m6f 2
30 3 . 2 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6f 2
31 2 . 1 . 1 1 6 6 PRO HG2 H . . . . 6 PRO QG rr_2m6f 2
31 2 . 2 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6f 2
31 3 . 1 . 1 1 6 6 PRO HG3 H . . . . 6 PRO QG rr_2m6f 2
31 3 . 2 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6f 2
32 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
32 1 . 2 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6f 2
33 2 . 1 . 1 1 7 7 TRP HA H . . . . 7 TRP HA rr_2m6f 2
33 2 . 2 . 1 1 7 7 TRP HB2 H . . . . 7 TRP QB rr_2m6f 2
33 3 . 1 . 1 1 7 7 TRP HA H . . . . 7 TRP HA rr_2m6f 2
33 3 . 2 . 1 1 7 7 TRP HB3 H . . . . 7 TRP QB rr_2m6f 2
34 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
34 1 . 2 . 1 1 7 7 TRP HA H . . . . 7 TRP HA rr_2m6f 2
35 1 . 1 . 1 1 7 7 TRP HA H . . . . 7 TRP HA rr_2m6f 2
35 1 . 2 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6f 2
36 2 . 1 . 1 1 6 6 PRO HG2 H . . . . 6 PRO QG rr_2m6f 2
36 2 . 2 . 1 1 7 7 TRP HZ3 H . . . . 7 TRP HZ3 rr_2m6f 2
36 3 . 1 . 1 1 6 6 PRO HG3 H . . . . 6 PRO QG rr_2m6f 2
36 3 . 2 . 1 1 7 7 TRP HZ3 H . . . . 7 TRP HZ3 rr_2m6f 2
37 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6f 2
37 1 . 2 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6f 2
38 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6f 2
38 1 . 2 . 1 1 8 8 CYS HA H . . . . 8 CYSS HA rr_2m6f 2
39 2 . 1 . 1 1 8 8 CYS HB2 H . . . . 8 CYSS QB rr_2m6f 2
39 2 . 2 . 1 1 8 8 CYS HA H . . . . 8 CYSS HA rr_2m6f 2
39 3 . 1 . 1 1 8 8 CYS HB3 H . . . . 8 CYSS QB rr_2m6f 2
39 3 . 2 . 1 1 8 8 CYS HA H . . . . 8 CYSS HA rr_2m6f 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 2 . . . . . . . . 3.0 rr_2m6f 2
1 3 . . . . . . . . 3.0 rr_2m6f 2
2 2 . . . . . . . . 2.4 rr_2m6f 2
2 3 . . . . . . . . 2.4 rr_2m6f 2
3 2 . . . . . . . . 3.0 rr_2m6f 2
3 3 . . . . . . . . 3.0 rr_2m6f 2
4 1 . . . . . . . . 3.0 rr_2m6f 2
5 1 . . . . . . . . 4.0 rr_2m6f 2
6 1 . . . . . . . . 2.4 rr_2m6f 2
7 2 . . . . . . . . 4.0 rr_2m6f 2
7 3 . . . . . . . . 4.0 rr_2m6f 2
8 1 . . . . . . . . 4.0 rr_2m6f 2
9 1 . . . . . . . . 5.0 rr_2m6f 2
10 1 . . . . . . . . 3.0 rr_2m6f 2
11 1 . . . . . . . . 3.5 rr_2m6f 2
12 2 . . . . . . . . 3.5 rr_2m6f 2
12 3 . . . . . . . . 3.5 rr_2m6f 2
13 1 . . . . . . . . 2.5 rr_2m6f 2
14 2 . . . . . . . . 3.0 rr_2m6f 2
14 3 . . . . . . . . 3.0 rr_2m6f 2
15 1 . . . . . . . . 3.0 rr_2m6f 2
16 1 . . . . . . . . 3.0 rr_2m6f 2
17 2 . . . . . . . . 3.5 rr_2m6f 2
17 3 . . . . . . . . 3.5 rr_2m6f 2
18 2 . . . . . . . . 3.5 rr_2m6f 2
18 3 . . . . . . . . 3.5 rr_2m6f 2
19 1 . . . . . . . . 3.0 rr_2m6f 2
20 2 . . . . . . . . 4.0 rr_2m6f 2
20 3 . . . . . . . . 4.0 rr_2m6f 2
21 1 . . . . . . . . 4.5 rr_2m6f 2
22 2 . . . . . . . . 4.5 rr_2m6f 2
22 3 . . . . . . . . 4.5 rr_2m6f 2
23 1 . . . . . . . . 5.0 rr_2m6f 2
24 1 . . . . . . . . 4.5 rr_2m6f 2
25 2 . . . . . . . . 2.4 rr_2m6f 2
25 3 . . . . . . . . 2.4 rr_2m6f 2
26 1 . . . . . . . . 3.5 rr_2m6f 2
27 1 . . . . . . . . 4.0 rr_2m6f 2
28 2 . . . . . . . . 4.2 rr_2m6f 2
28 3 . . . . . . . . 4.2 rr_2m6f 2
29 2 . . . . . . . . 4.2 rr_2m6f 2
29 3 . . . . . . . . 4.2 rr_2m6f 2
30 2 . . . . . . . . 4.5 rr_2m6f 2
30 3 . . . . . . . . 4.5 rr_2m6f 2
31 2 . . . . . . . . 4.0 rr_2m6f 2
31 3 . . . . . . . . 4.0 rr_2m6f 2
32 1 . . . . . . . . 3.0 rr_2m6f 2
33 2 . . . . . . . . 2.4 rr_2m6f 2
33 3 . . . . . . . . 2.4 rr_2m6f 2
34 1 . . . . . . . . 3.0 rr_2m6f 2
35 1 . . . . . . . . 3.0 rr_2m6f 2
36 2 . . . . . . . . 5.0 rr_2m6f 2
36 3 . . . . . . . . 5.0 rr_2m6f 2
37 1 . . . . . . . . 3.1 rr_2m6f 2
38 1 . . . . . . . . 3.0 rr_2m6f 2
39 2 . . . . . . . . 3.0 rr_2m6f 2
39 3 . . . . . . . . 3.0 rr_2m6f 2
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 5 13 1 "Not handling restraint 13, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
2 5 16 1 "Not handling restraint 16, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_2m6f 2
3 5 17 1 "Not handling restraint 17, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6f 2
4 5 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
5 5 19 1 "Not handling restraint 19, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6f 2
6 5 20 1 "Not handling restraint 20, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HG' (nmrStar names) not linked" rr_2m6f 2
7 5 21 1 "Not handling restraint 21, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QQD' (nmrStar names) not linked" rr_2m6f 2
8 5 22 1 "Not handling restraint 22, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6f 2
9 5 23 1 "Not handling restraint 23, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6f 2
10 5 24 1 "Not handling restraint 24, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HG' (nmrStar names) not linked" rr_2m6f 2
11 5 25 1 "Not handling restraint 25, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
12 5 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
13 5 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6f 2
14 5 27 1 "Not handling restraint 27, item 1, resonance(s) ' .4.HG' (nmrStar names) not linked" rr_2m6f 2
15 5 35 1 "Not handling restraint 35, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6f 2
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2m6f
_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_2m6f 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 . . . rr_2m6f 3
2 1 . . . rr_2m6f 3
3 1 . . . rr_2m6f 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 1 . 1 . 1 1 5 5 TYR O O . . . . 5 TYR O rr_2m6f 3
1 1 . 2 . 1 1 8 8 CYS N N . . . . 8 CYSS N rr_2m6f 3
2 1 . 1 . 1 1 2 2 CYS O O . . . . 2 CYSS O rr_2m6f 3
2 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6f 3
3 1 . 1 . 1 1 2 2 CYS O O . . . . 2 CYSS O rr_2m6f 3
3 1 . 2 . 1 1 5 5 TYR N N . . . . 5 TYR N rr_2m6f 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 1 . . . . . . . . 3.2 rr_2m6f 3
2 1 . . . . . . . . 2.2 rr_2m6f 3
3 1 . . . . . . . . 3.2 rr_2m6f 3
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_2m6f
_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 2
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_2m6f 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 PHI . 1 1 1 1 GLY C C . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . -150.0 -90.0 . . . A . 1 GLY C . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . rr_2m6f 1
2 CHI1 . 1 1 5 5 TYR N N . . 1 1 5 5 TYR CA C . . 1 1 5 5 TYR CB C . . 1 1 5 5 TYR CG C . -90.0 -30.0 . . . A . 5 TYR N . . A . 5 TYR CA . . A . 5 TYR CB . . A . 5 TYR CG . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . rr_2m6f 1
3 PHI . 1 1 6 6 PRO C C . . 1 1 7 7 TRP N N . . 1 1 7 7 TRP CA C . . 1 1 7 7 TRP C C . -150.0 -90.0 . . . A . 6 PRO C . . A . 7 TRP N . . A . 7 TRP CA . . A . 7 TRP C . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . rr_2m6f 1
4 CHI1 . 1 1 7 7 TRP N N . . 1 1 7 7 TRP CA C . . 1 1 7 7 TRP CB C . . 1 1 7 7 TRP CG C . 30.0 90.0 . . . A . 7 TRP N . . A . 7 TRP CA . . A . 7 TRP CB . . A . 7 TRP CG . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . rr_2m6f 1
5 PHI . 1 1 7 7 TRP C C . . 1 1 8 8 CYS N N . . 1 1 8 8 CYS CA C . . 1 1 8 8 CYS C C . -150.0 -90.0 . . . A . 7 TRP C . . A . 8 CYS N . . A . 8 CYS CA . . A . 8 CYS C . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . rr_2m6f 1
6 CHI1 . 1 1 8 8 CYS N N . . 1 1 8 8 CYS CA C . . 1 1 8 8 CYS CB C . . 1 1 8 8 CYS SG S . -90.0 -30.0 . . . A . 8 CYS N . . A . 8 CYS CA . . A . 8 CYS CB . . A . 8 CYS SG . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . rr_2m6f 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 2 3 1 "Not handling restraint 3, resonance(s) ' .4.C' (nmrStar names) not linked" rr_2m6f 1
stop_
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_2m6f
_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 TOXIN 29-MAR-13 2M6F *TITLE NMR SOLUTION STRUCTURE OF TRANS (MAJOR) FORM OF IN936 IN METHANOL *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CONTRYPHAN-IN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS INSCRIPTUS; *SOURCE 4 ORGANISM_COMMON: ENGRAVED CONE; *SOURCE 5 ORGANISM_TAXID: 257329 *KEYWDS TRANS IN936, METHANOL, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.SONTI *REVDAT 1 30-OCT-13 2M6F 0"
save_
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