Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568244 | 2m6d RC | 19129 | cing | 3-converted-DOCR | STAR | entry | full | 28 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2m6d
# This DOCR archive file contains, for PDB entry <2m6d>:
#
# - 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_2m6d
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2m6d"
_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 2m6d"
_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 2m6d "Master copy" rr_2m6d
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2m6d
_Assembly.ID 1
_Assembly.Name 2m6d
_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_2m6d 1
stop_
save_
save_Contryphan_In
_Entity.Sf_category entity
_Entity.Sf_framecode Contryphan_In
_Entity.Entry_ID rr_2m6d
_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_2m6d 1
2 . CYS . rr_2m6d 1
3 . VAL . rr_2m6d 1
4 . . . rr_2m6d 1
5 . TYR . rr_2m6d 1
6 . PRO . rr_2m6d 1
7 . TRP . rr_2m6d 1
8 . CYS . rr_2m6d 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_2m6d 1
. CYS 2 2 rr_2m6d 1
. VAL 3 3 rr_2m6d 1
. . 4 4 rr_2m6d 1
. TYR 5 5 rr_2m6d 1
. PRO 6 6 rr_2m6d 1
. TRP 7 7 rr_2m6d 1
. CYS 8 8 rr_2m6d 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_2m6d
_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_2m6d
_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_2m6d
_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_2m6d 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_2m6d 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 1.178 0.214 -2.453 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 1 . 2 . 1 1 1 GLY CA C 2.071 0.001 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 1 . 3 . 1 1 1 GLY H1 H 1.811 -0.001 0.854 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 1 . 4 . 1 1 1 GLY HA2 H 2.809 0.789 -1.214 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 1 . 5 . 1 1 1 GLY HA3 H 2.578 -0.947 -1.352 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 1 . 6 . 1 1 1 GLY N N 1.330 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 1 . 7 . 1 1 1 GLY O O 0.038 0.659 -2.319 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 1 . 8 . 1 1 2 CYS C C 0.803 -1.273 -5.602 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 1 . 9 . 1 1 2 CYS CA C 0.939 0.059 -4.870 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 1 . 10 . 1 1 2 CYS CB C 1.619 1.086 -5.779 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 1 . 11 . 1 1 2 CYS H H 2.612 -0.452 -3.678 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 1 . 12 . 1 1 2 CYS HA H -0.046 0.416 -4.612 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 1 . 13 . 1 1 2 CYS HB2 H 2.499 0.639 -6.219 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 1 . 14 . 1 1 2 CYS HB3 H 0.934 1.368 -6.565 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 1 . 15 . 1 1 2 CYS N N 1.696 -0.102 -3.635 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 1 . 16 . 1 1 2 CYS O O 1.799 -1.910 -5.945 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 1 . 17 . 1 1 2 CYS SG S 2.140 2.607 -4.923 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 1 . 18 . 1 1 3 VAL C C 0.002 -2.987 -7.881 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 1 . 19 . 1 1 3 VAL CA C -0.706 -2.942 -6.531 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 1 . 20 . 1 1 3 VAL CB C -2.216 -3.152 -6.749 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 1 . 21 . 1 1 3 VAL CG1 C -2.892 -3.555 -5.447 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 1 . 22 . 1 1 3 VAL CG2 C -2.851 -1.894 -7.322 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 1 . 23 . 1 1 3 VAL H H -1.191 -1.135 -5.541 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 1 . 24 . 1 1 3 VAL HA H -0.337 -3.749 -5.915 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 1 . 25 . 1 1 3 VAL HB H -2.349 -3.953 -7.461 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 1 . 26 . 1 1 3 VAL HG11 H -3.290 -2.676 -4.961 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 1 . 27 . 1 1 3 VAL HG12 H -3.696 -4.246 -5.657 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 1 . 28 . 1 1 3 VAL HG13 H -2.170 -4.028 -4.798 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 1 . 29 . 1 1 3 VAL HG21 H -3.472 -1.430 -6.570 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 1 . 30 . 1 1 3 VAL HG22 H -2.076 -1.204 -7.624 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 1 . 31 . 1 1 3 VAL HG23 H -3.455 -2.153 -8.178 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 1 . 32 . 1 1 3 VAL N N -0.438 -1.687 -5.839 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 1 . 33 . 1 1 3 VAL O O -0.268 -2.141 -8.731 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 1 . 34 . 1 1 4 . C C 3.010 -3.493 -9.130 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 1 . 35 . 1 1 4 . CA C 1.617 -4.105 -9.292 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 1 . 36 . 1 1 4 . CB C 1.637 -5.568 -9.739 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 1 . 37 . 1 1 4 . CD1 C -0.111 -5.497 -11.555 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 1 . 38 . 1 1 4 . CD2 C 1.720 -7.251 -11.615 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 1 . 39 . 1 1 4 . CG C 1.346 -5.822 -11.219 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 1 . 40 . 1 1 4 . H H 1.096 -4.648 -7.349 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 1 . 41 . 1 1 4 . HA H 1.078 -3.543 -10.055 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 1 . 42 . 1 1 4 . HB2 H 0.906 -6.118 -9.146 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 1 . 43 . 1 1 4 . HB3 H 2.616 -5.986 -9.505 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 1 . 44 . 1 1 4 . HD11 H -0.706 -5.512 -10.643 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 1 . 45 . 1 1 4 . HD12 H -0.497 -6.239 -12.254 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 1 . 46 . 1 1 4 . HD13 H -0.167 -4.507 -12.009 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 1 . 47 . 1 1 4 . HD21 H 1.859 -7.853 -10.716 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 1 . 48 . 1 1 4 . HD22 H 2.647 -7.239 -12.190 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 1 . 49 . 1 1 4 . HD23 H 0.923 -7.681 -12.221 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 1 . 50 . 1 1 4 . HG H 1.970 -5.150 -11.810 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 1 . 51 . 1 1 4 . N N 0.883 -3.963 -8.046 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 1 . 52 . 1 1 4 . O O 4.016 -4.028 -9.596 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 1 . 53 . 1 1 5 TYR C C 4.612 -1.575 -6.727 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 1 . 54 . 1 1 5 TYR CA C 4.297 -1.640 -8.218 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 1 . 55 . 1 1 5 TYR CB C 4.224 -0.227 -8.798 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 1 . 56 . 1 1 5 TYR CD1 C 3.875 -1.136 -11.128 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 1 . 57 . 1 1 5 TYR CD2 C 2.722 0.857 -10.514 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 1 . 58 . 1 1 5 TYR CE1 C 3.304 -1.086 -12.384 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 1 . 59 . 1 1 5 TYR CE2 C 2.145 0.915 -11.768 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 1 . 60 . 1 1 5 TYR CG C 3.596 -0.168 -10.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 1 . 61 . 1 1 5 TYR CZ C 2.440 -0.058 -12.700 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 1 . 62 . 1 1 5 TYR H H 2.210 -1.972 -8.108 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 1 . 63 . 1 1 5 TYR HA H 5.086 -2.184 -8.718 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 1 . 64 . 1 1 5 TYR HB2 H 3.639 0.395 -8.139 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 1 . 65 . 1 1 5 TYR HB3 H 5.224 0.176 -8.872 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 1 . 66 . 1 1 5 TYR HD1 H 4.553 -1.940 -10.877 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 1 . 67 . 1 1 5 TYR HD2 H 2.493 1.618 -9.782 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 1 . 68 . 1 1 5 TYR HE1 H 3.534 -1.848 -13.114 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 1 . 69 . 1 1 5 TYR HE2 H 1.468 1.720 -12.015 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 1 . 70 . 1 1 5 TYR HH H 2.150 0.797 -14.397 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 1 . 71 . 1 1 5 TYR N N 3.045 -2.350 -8.455 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 1 . 72 . 1 1 5 TYR O O 4.467 -0.537 -6.080 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 1 . 73 . 1 1 5 TYR OH O 1.868 -0.005 -13.950 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 1 . 74 . 1 1 6 PRO C C 6.668 -2.030 -4.402 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 1 . 75 . 1 1 6 PRO CA C 5.403 -2.809 -4.746 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 1 . 76 . 1 1 6 PRO CB C 5.626 -4.309 -4.538 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 1 . 77 . 1 1 6 PRO CD C 5.253 -3.985 -6.877 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 1 . 78 . 1 1 6 PRO CG C 6.006 -4.825 -5.883 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 1 . 79 . 1 1 6 PRO HA H 4.592 -2.473 -4.115 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 1 . 80 . 1 1 6 PRO HB2 H 6.416 -4.461 -3.817 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 1 . 81 . 1 1 6 PRO HB3 H 4.714 -4.766 -4.184 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 1 . 82 . 1 1 6 PRO HD2 H 5.841 -3.840 -7.771 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 1 . 83 . 1 1 6 PRO HD3 H 4.305 -4.443 -7.117 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 1 . 84 . 1 1 6 PRO HG2 H 7.070 -4.717 -6.030 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 1 . 85 . 1 1 6 PRO HG3 H 5.717 -5.861 -5.973 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 1 . 86 . 1 1 6 PRO N N 5.056 -2.710 -6.167 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 1 . 87 . 1 1 6 PRO O O 7.010 -1.869 -3.231 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 1 . 88 . 1 1 7 TRP C C 8.286 0.704 -5.108 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 1 . 89 . 1 1 7 TRP CA C 8.585 -0.785 -5.236 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 1 . 90 . 1 1 7 TRP CB C 9.549 -1.027 -6.399 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 1 . 91 . 1 1 7 TRP CD1 C 9.390 0.968 -8.001 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 1 . 92 . 1 1 7 TRP CD2 C 8.410 -0.899 -8.755 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 1 . 93 . 1 1 7 TRP CE2 C 8.252 0.113 -9.722 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 1 . 94 . 1 1 7 TRP CE3 C 7.875 -2.165 -9.012 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 1 . 95 . 1 1 7 TRP CG C 9.141 -0.332 -7.663 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 1 . 96 . 1 1 7 TRP CH2 C 7.068 -1.351 -11.148 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 1 . 97 . 1 1 7 TRP CZ2 C 7.581 -0.102 -10.923 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 1 . 98 . 1 1 7 TRP CZ3 C 7.209 -2.377 -10.204 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 1 . 99 . 1 1 7 TRP H H 7.034 -1.710 -6.341 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 1 . 100 . 1 1 7 TRP HA H 9.047 -1.128 -4.322 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 1 . 101 . 1 1 7 TRP HB2 H 10.531 -0.670 -6.125 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 1 . 102 . 1 1 7 TRP HB3 H 9.599 -2.087 -6.602 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 1 . 103 . 1 1 7 TRP HD1 H 9.926 1.666 -7.377 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 1 . 104 . 1 1 7 TRP HE1 H 8.906 2.106 -9.698 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 1 . 105 . 1 1 7 TRP HE3 H 7.974 -2.968 -8.297 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 1 . 106 . 1 1 7 TRP HH2 H 6.540 -1.561 -12.065 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 1 . 107 . 1 1 7 TRP HZ2 H 7.464 0.678 -11.660 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 1 . 108 . 1 1 7 TRP HZ3 H 6.789 -3.348 -10.420 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 1 . 109 . 1 1 7 TRP N N 7.358 -1.548 -5.430 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 1 . 110 . 1 1 7 TRP NE1 N 8.858 1.242 -9.237 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 1 . 111 . 1 1 7 TRP O O 9.147 1.488 -4.708 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 1 . 112 . 1 1 8 CYS C C 6.952 3.067 -3.997 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 1 . 113 . 1 1 8 CYS CA C 6.648 2.485 -5.374 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 1 . 114 . 1 1 8 CYS CB C 5.154 2.613 -5.676 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 1 . 115 . 1 1 8 CYS H H 6.418 0.417 -5.762 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 1 . 116 . 1 1 8 CYS HA H 7.205 3.037 -6.116 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 1 . 117 . 1 1 8 CYS HB2 H 4.916 3.655 -5.838 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 1 . 118 . 1 1 8 CYS HB3 H 4.925 2.054 -6.571 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 1 . 119 . 1 1 8 CYS N N 7.061 1.089 -5.450 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 1 . 120 . 1 1 8 CYS O O 6.936 4.284 -3.810 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 1 . 121 . 1 1 8 CYS SG S 4.071 2.000 -4.346 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 2 . 122 . 1 1 1 GLY C C 1.008 -0.056 -2.612 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 2 . 123 . 1 1 1 GLY CA C 1.864 -0.277 -1.380 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 2 . 124 . 1 1 1 GLY H1 H 2.176 -1.896 -0.051 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 2 . 125 . 1 1 1 GLY HA2 H 1.482 0.332 -0.575 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 2 . 126 . 1 1 1 GLY HA3 H 2.876 0.027 -1.600 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 2 . 127 . 1 1 1 GLY N N 1.874 -1.665 -0.954 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 2 . 128 . 1 1 1 GLY O O -0.199 0.161 -2.507 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 2 . 129 . 1 1 2 CYS C C 0.812 -1.219 -5.815 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 2 . 130 . 1 1 2 CYS CA C 0.924 0.091 -5.040 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 2 . 131 . 1 1 2 CYS CB C 1.639 1.141 -5.893 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 2 . 132 . 1 1 2 CYS H H 2.599 -0.285 -3.802 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 2 . 133 . 1 1 2 CYS HA H -0.069 0.443 -4.808 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 2 . 134 . 1 1 2 CYS HB2 H 2.533 0.704 -6.313 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 2 . 135 . 1 1 2 CYS HB3 H 0.984 1.448 -6.695 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 2 . 136 . 1 1 2 CYS N N 1.635 -0.108 -3.783 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 2 . 137 . 1 1 2 CYS O O 1.819 -1.849 -6.139 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 2 . 138 . 1 1 2 CYS SG S 2.131 2.635 -4.975 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 2 . 139 . 1 1 3 VAL C C 0.094 -2.867 -8.168 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 2 . 140 . 1 1 3 VAL CA C -0.664 -2.858 -6.845 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 2 . 141 . 1 1 3 VAL CB C -2.166 -3.056 -7.125 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 2 . 142 . 1 1 3 VAL CG1 C -2.892 -3.494 -5.862 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 2 . 143 . 1 1 3 VAL CG2 C -2.776 -1.780 -7.685 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 2 . 144 . 1 1 3 VAL H H -1.182 -1.079 -5.822 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 2 . 145 . 1 1 3 VAL HA H -0.321 -3.683 -6.239 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 2 . 146 . 1 1 3 VAL HB H -2.274 -3.836 -7.865 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 2 . 147 . 1 1 3 VAL HG11 H -2.203 -4.017 -5.215 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 2 . 148 . 1 1 3 VAL HG12 H -3.280 -2.626 -5.350 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 2 . 149 . 1 1 3 VAL HG13 H -3.707 -4.151 -6.126 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 2 . 150 . 1 1 3 VAL HG21 H -1.988 -1.087 -7.942 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 2 . 151 . 1 1 3 VAL HG22 H -3.352 -2.013 -8.569 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 2 . 152 . 1 1 3 VAL HG23 H -3.421 -1.333 -6.944 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 2 . 153 . 1 1 3 VAL N N -0.420 -1.624 -6.108 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 2 . 154 . 1 1 3 VAL O O -0.142 -1.995 -9.003 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 2 . 155 . 1 1 4 . C C 3.145 -3.346 -9.318 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 2 . 156 . 1 1 4 . CA C 1.758 -3.949 -9.549 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 2 . 157 . 1 1 4 . CB C 1.792 -5.399 -10.036 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 2 . 158 . 1 1 4 . CD1 C 0.249 -7.201 -9.179 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 2 . 159 . 1 1 4 . CD2 C 0.247 -6.583 -11.639 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 2 . 160 . 1 1 4 . CG C 0.433 -6.082 -10.206 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 2 . 161 . 1 1 4 . H H 1.164 -4.545 -7.643 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 2 . 162 . 1 1 4 . HA H 1.250 -3.364 -10.315 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 2 . 163 . 1 1 4 . HB2 H 2.385 -5.984 -9.332 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 2 . 164 . 1 1 4 . HB3 H 2.314 -5.428 -10.992 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 2 . 165 . 1 1 4 . HD11 H 0.973 -7.993 -9.372 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 2 . 166 . 1 1 4 . HD12 H -0.760 -7.604 -9.258 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 2 . 167 . 1 1 4 . HD13 H 0.405 -6.803 -8.176 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 2 . 168 . 1 1 4 . HD21 H 1.135 -7.133 -11.950 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 2 . 169 . 1 1 4 . HD22 H 0.095 -5.733 -12.305 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 2 . 170 . 1 1 4 . HD23 H -0.622 -7.240 -11.685 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 2 . 171 . 1 1 4 . HG H -0.346 -5.343 -10.019 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 2 . 172 . 1 1 4 . N N 0.978 -3.841 -8.328 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 2 . 173 . 1 1 4 . O O 4.168 -3.871 -9.758 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 2 . 174 . 1 1 5 TYR C C 4.660 -1.501 -6.804 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 2 . 175 . 1 1 5 TYR CA C 4.400 -1.522 -8.308 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 2 . 176 . 1 1 5 TYR CB C 4.351 -0.092 -8.849 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 2 . 177 . 1 1 5 TYR CD1 C 4.088 -0.934 -11.215 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 2 . 178 . 1 1 5 TYR CD2 C 2.917 1.045 -10.588 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 2 . 179 . 1 1 5 TYR CE1 C 3.564 -0.846 -12.490 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 2 . 180 . 1 1 5 TYR CE2 C 2.387 1.140 -11.860 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 2 . 181 . 1 1 5 TYR CG C 3.775 0.008 -10.243 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 2 . 182 . 1 1 5 TYR CZ C 2.714 0.193 -12.808 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 2 . 183 . 1 1 5 TYR H H 2.310 -1.850 -8.287 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 2 . 184 . 1 1 5 TYR HA H 5.206 -2.053 -8.793 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 2 . 185 . 1 1 5 TYR HB2 H 3.743 0.512 -8.194 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 2 . 186 . 1 1 5 TYR HB3 H 5.354 0.310 -8.874 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 2 . 187 . 1 1 5 TYR HD1 H 4.755 -1.746 -10.963 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 2 . 188 . 1 1 5 TYR HD2 H 2.663 1.786 -9.844 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 2 . 189 . 1 1 5 TYR HE1 H 3.820 -1.588 -13.233 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 2 . 190 . 1 1 5 TYR HE2 H 1.722 1.954 -12.109 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 2 . 191 . 1 1 5 TYR HH H 1.639 -0.482 -14.252 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 2 . 192 . 1 1 5 TYR N N 3.157 -2.221 -8.611 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 2 . 193 . 1 1 5 TYR O O 4.493 -0.482 -6.134 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 2 . 194 . 1 1 5 TYR OH O 2.189 0.285 -14.077 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 2 . 195 . 1 1 6 PRO C C 6.627 -2.028 -4.420 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 2 . 196 . 1 1 6 PRO CA C 5.374 -2.793 -4.832 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 2 . 197 . 1 1 6 PRO CB C 5.586 -4.299 -4.660 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 2 . 198 . 1 1 6 PRO CD C 5.302 -3.907 -7.000 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 2 . 199 . 1 1 6 PRO CG C 6.016 -4.777 -6.004 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 2 . 200 . 1 1 6 PRO HA H 4.542 -2.473 -4.222 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 2 . 201 . 1 1 6 PRO HB2 H 6.349 -4.475 -3.914 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 2 . 202 . 1 1 6 PRO HB3 H 4.661 -4.764 -4.352 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 2 . 203 . 1 1 6 PRO HD2 H 5.923 -3.739 -7.868 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 2 . 204 . 1 1 6 PRO HD3 H 4.362 -4.355 -7.288 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 2 . 205 . 1 1 6 PRO HG2 H 7.084 -4.668 -6.108 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 2 . 206 . 1 1 6 PRO HG3 H 5.728 -5.810 -6.135 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 2 . 207 . 1 1 6 PRO N N 5.080 -2.653 -6.261 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 2 . 208 . 1 1 6 PRO O O 6.926 -1.902 -3.232 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 2 . 209 . 1 1 7 TRP C C 8.276 0.720 -4.986 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 2 . 210 . 1 1 7 TRP CA C 8.577 -0.766 -5.146 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 2 . 211 . 1 1 7 TRP CB C 9.583 -0.977 -6.278 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 2 . 212 . 1 1 7 TRP CD1 C 9.487 1.063 -7.827 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 2 . 213 . 1 1 7 TRP CD2 C 8.532 -0.778 -8.670 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 2 . 214 . 1 1 7 TRP CE2 C 8.412 0.262 -9.613 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 2 . 215 . 1 1 7 TRP CE3 C 8.005 -2.034 -8.983 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 2 . 216 . 1 1 7 TRP CG C 9.223 -0.245 -7.536 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 2 . 217 . 1 1 7 TRP CH2 C 7.279 -1.157 -11.123 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 2 . 218 . 1 1 7 TRP CZ2 C 7.786 0.083 -10.843 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 2 . 219 . 1 1 7 TRP CZ3 C 7.383 -2.210 -10.205 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 2 . 220 . 1 1 7 TRP H H 7.065 -1.654 -6.334 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 2 . 221 . 1 1 7 TRP HA H 9.003 -1.136 -4.225 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 2 . 222 . 1 1 7 TRP HB2 H 10.554 -0.632 -5.958 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 2 . 223 . 1 1 7 TRP HB3 H 9.637 -2.031 -6.510 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 2 . 224 . 1 1 7 TRP HD1 H 10.001 1.742 -7.163 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 2 . 225 . 1 1 7 TRP HE1 H 9.069 2.252 -9.507 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 2 . 226 . 1 1 7 TRP HE3 H 8.075 -2.858 -8.289 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 2 . 227 . 1 1 7 TRP HH2 H 6.785 -1.339 -12.065 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 2 . 228 . 1 1 7 TRP HZ2 H 7.698 0.885 -11.562 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 2 . 229 . 1 1 7 TRP HZ3 H 6.969 -3.173 -10.464 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 2 . 230 . 1 1 7 TRP N N 7.355 -1.520 -5.407 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 2 . 231 . 1 1 7 TRP NE1 N 9.002 1.375 -9.074 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 2 . 232 . 1 1 7 TRP O O 9.123 1.490 -4.532 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 2 . 233 . 1 1 8 CYS C C 6.906 3.055 -3.858 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 2 . 234 . 1 1 8 CYS CA C 6.652 2.512 -5.261 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 2 . 235 . 1 1 8 CYS CB C 5.170 2.654 -5.615 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 2 . 236 . 1 1 8 CYS H H 6.433 0.457 -5.717 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 2 . 237 . 1 1 8 CYS HA H 7.237 3.084 -5.966 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 2 . 238 . 1 1 8 CYS HB2 H 4.940 3.700 -5.756 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 2 . 239 . 1 1 8 CYS HB3 H 4.974 2.121 -6.533 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 2 . 240 . 1 1 8 CYS N N 7.065 1.118 -5.362 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 2 . 241 . 1 1 8 CYS O O 6.754 4.250 -3.607 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 2 . 242 . 1 1 8 CYS SG S 4.037 2.006 -4.344 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 3 . 243 . 1 1 1 GLY C C 1.261 0.424 -2.545 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 3 . 244 . 1 1 1 GLY CA C 2.118 0.166 -1.322 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 3 . 245 . 1 1 1 GLY H1 H 1.441 -1.833 -1.156 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 3 . 246 . 1 1 1 GLY HA2 H 1.694 0.694 -0.480 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 3 . 247 . 1 1 1 GLY HA3 H 3.112 0.546 -1.507 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 3 . 248 . 1 1 1 GLY N N 2.208 -1.245 -0.994 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 3 . 249 . 1 1 1 GLY O O 0.251 1.125 -2.469 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 3 . 250 . 1 1 2 CYS C C 0.816 -1.293 -5.678 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 3 . 251 . 1 1 2 CYS CA C 0.927 0.029 -4.924 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 3 . 252 . 1 1 2 CYS CB C 1.612 1.076 -5.805 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 3 . 253 . 1 1 2 CYS H H 2.476 -0.692 -3.675 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 3 . 254 . 1 1 2 CYS HA H -0.066 0.373 -4.678 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 3 . 255 . 1 1 2 CYS HB2 H 2.504 0.644 -6.235 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 3 . 256 . 1 1 2 CYS HB3 H 0.939 1.364 -6.598 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 3 . 257 . 1 1 2 CYS N N 1.663 -0.144 -3.677 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 3 . 258 . 1 1 2 CYS O O 1.824 -1.915 -6.013 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 3 . 259 . 1 1 2 CYS SG S 2.103 2.588 -4.916 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 3 . 260 . 1 1 3 VAL C C 0.074 -2.981 -7.994 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 3 . 261 . 1 1 3 VAL CA C -0.659 -2.963 -6.657 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 3 . 262 . 1 1 3 VAL CB C -2.163 -3.183 -6.906 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 3 . 263 . 1 1 3 VAL CG1 C -2.859 -3.613 -5.623 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 3 . 264 . 1 1 3 VAL CG2 C -2.799 -1.923 -7.471 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 3 . 265 . 1 1 3 VAL H H -1.179 -1.177 -5.649 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 3 . 266 . 1 1 3 VAL HA H -0.294 -3.776 -6.046 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 3 . 267 . 1 1 3 VAL HB H -2.275 -3.975 -7.632 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 3 . 268 . 1 1 3 VAL HG11 H -2.627 -2.911 -4.836 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 3 . 269 . 1 1 3 VAL HG12 H -3.927 -3.636 -5.784 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 3 . 270 . 1 1 3 VAL HG13 H -2.516 -4.597 -5.340 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 3 . 271 . 1 1 3 VAL HG21 H -3.388 -2.176 -8.340 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 3 . 272 . 1 1 3 VAL HG22 H -3.437 -1.474 -6.723 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 3 . 273 . 1 1 3 VAL HG23 H -2.026 -1.223 -7.751 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 3 . 274 . 1 1 3 VAL N N -0.416 -1.716 -5.942 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 3 . 275 . 1 1 3 VAL O O -0.188 -2.125 -8.837 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 3 . 276 . 1 1 4 . C C 3.108 -3.440 -9.196 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 3 . 277 . 1 1 4 . CA C 1.725 -4.063 -9.392 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 3 . 278 . 1 1 4 . CB C 1.767 -5.519 -9.860 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 3 . 279 . 1 1 4 . CD1 C -0.652 -5.808 -10.512 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 3 . 280 . 1 1 4 . CD2 C 1.137 -7.266 -11.566 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 3 . 281 . 1 1 4 . CG C 0.801 -5.890 -10.986 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 3 . 282 . 1 1 4 . H H 1.174 -4.640 -7.468 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 3 . 283 . 1 1 4 . HA H 1.195 -3.495 -10.156 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 3 . 284 . 1 1 4 . HB2 H 1.560 -6.161 -9.004 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 3 . 285 . 1 1 4 . HB3 H 2.782 -5.745 -10.189 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 3 . 286 . 1 1 4 . HD11 H -1.085 -6.808 -10.493 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 3 . 287 . 1 1 4 . HD12 H -1.222 -5.178 -11.195 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 3 . 288 . 1 1 4 . HD13 H -0.683 -5.379 -9.510 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 3 . 289 . 1 1 4 . HD21 H 1.693 -7.142 -12.496 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 3 . 290 . 1 1 4 . HD22 H 0.215 -7.811 -11.765 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 3 . 291 . 1 1 4 . HD23 H 1.743 -7.823 -10.852 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 3 . 292 . 1 1 4 . HG H 0.918 -5.164 -11.790 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 3 . 293 . 1 1 4 . N N 0.966 -3.947 -8.158 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 3 . 294 . 1 1 4 . O O 4.129 -3.959 -9.649 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 3 . 295 . 1 1 5 TYR C C 4.648 -1.542 -6.737 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 3 . 296 . 1 1 5 TYR CA C 4.360 -1.588 -8.235 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 3 . 297 . 1 1 5 TYR CB C 4.284 -0.166 -8.795 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 3 . 298 . 1 1 5 TYR CD1 C 3.986 -1.044 -11.144 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 3 . 299 . 1 1 5 TYR CD2 C 2.803 0.929 -10.522 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 3 . 300 . 1 1 5 TYR CE1 C 3.437 -0.980 -12.410 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 3 . 301 . 1 1 5 TYR CE2 C 2.248 1.000 -11.785 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 3 . 302 . 1 1 5 TYR CG C 3.679 -0.092 -10.179 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 3 . 303 . 1 1 5 TYR CZ C 2.568 0.043 -12.725 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 3 . 304 . 1 1 5 TYR H H 2.275 -1.941 -8.169 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 3 . 305 . 1 1 5 TYR HA H 5.163 -2.116 -8.728 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 3 . 306 . 1 1 5 TYR HB2 H 3.680 0.440 -8.137 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 3 . 307 . 1 1 5 TYR HB3 H 5.280 0.248 -8.845 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 3 . 308 . 1 1 5 TYR HD1 H 4.667 -1.845 -10.893 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 3 . 309 . 1 1 5 TYR HD2 H 2.554 1.677 -9.783 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 3 . 310 . 1 1 5 TYR HE1 H 3.688 -1.729 -13.146 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 3 . 311 . 1 1 5 TYR HE2 H 1.568 1.802 -12.033 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 3 . 312 . 1 1 5 TYR HH H 2.463 -0.514 -14.562 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 3 . 313 . 1 1 5 TYR N N 3.120 -2.305 -8.505 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 3 . 314 . 1 1 5 TYR O O 4.481 -0.515 -6.078 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 3 . 315 . 1 1 5 TYR OH O 2.019 0.111 -13.985 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 3 . 316 . 1 1 6 PRO C C 6.666 -2.012 -4.383 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 3 . 317 . 1 1 6 PRO CA C 5.415 -2.798 -4.761 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 3 . 318 . 1 1 6 PRO CB C 5.649 -4.298 -4.572 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 3 . 319 . 1 1 6 PRO CD C 5.315 -3.943 -6.912 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 3 . 320 . 1 1 6 PRO CG C 6.058 -4.790 -5.917 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 3 . 321 . 1 1 6 PRO HA H 4.590 -2.479 -4.140 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 3 . 322 . 1 1 6 PRO HB2 H 6.428 -4.454 -3.839 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 3 . 323 . 1 1 6 PRO HB3 H 4.736 -4.770 -4.240 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 3 . 324 . 1 1 6 PRO HD2 H 5.918 -3.779 -7.793 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 3 . 325 . 1 1 6 PRO HD3 H 4.376 -4.406 -7.175 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 3 . 326 . 1 1 6 PRO HG2 H 7.123 -4.670 -6.043 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 3 . 327 . 1 1 6 PRO HG3 H 5.781 -5.828 -6.028 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 3 . 328 . 1 1 6 PRO N N 5.093 -2.681 -6.186 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 3 . 329 . 1 1 6 PRO O O 6.985 -1.865 -3.203 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 3 . 330 . 1 1 7 TRP C C 8.270 0.748 -5.019 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 3 . 331 . 1 1 7 TRP CA C 8.586 -0.737 -5.164 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 3 . 332 . 1 1 7 TRP CB C 9.573 -0.952 -6.312 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 3 . 333 . 1 1 7 TRP CD1 C 9.424 1.065 -7.886 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 3 . 334 . 1 1 7 TRP CD2 C 8.475 -0.799 -8.686 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 3 . 335 . 1 1 7 TRP CE2 C 8.325 0.226 -9.640 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 3 . 336 . 1 1 7 TRP CE3 C 7.957 -2.065 -8.972 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 3 . 337 . 1 1 7 TRP CG C 9.181 -0.241 -7.573 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 3 . 338 . 1 1 7 TRP CH2 C 7.180 -1.227 -11.109 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 3 . 339 . 1 1 7 TRP CZ2 C 7.678 0.023 -10.856 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 3 . 340 . 1 1 7 TRP CZ3 C 7.315 -2.266 -10.179 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 3 . 341 . 1 1 7 TRP H H 7.063 -1.659 -6.310 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 3 . 342 . 1 1 7 TRP HA H 9.034 -1.089 -4.246 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 3 . 343 . 1 1 7 TRP HB2 H 10.546 -0.590 -6.015 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 3 . 344 . 1 1 7 TRP HB3 H 9.636 -2.008 -6.530 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 3 . 345 . 1 1 7 TRP HD1 H 9.942 1.759 -7.242 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 3 . 346 . 1 1 7 TRP HE1 H 8.959 2.225 -9.575 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 3 . 347 . 1 1 7 TRP HE3 H 8.051 -2.879 -8.268 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 3 . 348 . 1 1 7 TRP HH2 H 6.671 -1.428 -12.039 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 3 . 349 . 1 1 7 TRP HZ2 H 7.567 0.813 -11.584 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 3 . 350 . 1 1 7 TRP HZ3 H 6.908 -3.237 -10.417 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 3 . 351 . 1 1 7 TRP N N 7.369 -1.509 -5.391 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 3 . 352 . 1 1 7 TRP NE1 N 8.911 1.354 -9.128 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 3 . 353 . 1 1 7 TRP O O 9.116 1.534 -4.592 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 3 . 354 . 1 1 8 CYS C C 6.893 3.081 -3.897 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 3 . 355 . 1 1 8 CYS CA C 6.619 2.516 -5.288 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 3 . 356 . 1 1 8 CYS CB C 5.129 2.635 -5.615 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 3 . 357 . 1 1 8 CYS H H 6.417 0.452 -5.711 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 3 . 358 . 1 1 8 CYS HA H 7.184 3.085 -6.011 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 3 . 359 . 1 1 8 CYS HB2 H 4.884 3.676 -5.766 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 3 . 360 . 1 1 8 CYS HB3 H 4.923 2.087 -6.522 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 3 . 361 . 1 1 8 CYS N N 7.047 1.126 -5.378 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 3 . 362 . 1 1 8 CYS O O 7.239 4.253 -3.750 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 3 . 363 . 1 1 8 CYS SG S 4.029 1.991 -4.314 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 4 . 364 . 1 1 1 GLY C C 0.146 0.478 -2.966 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 4 . 365 . 1 1 1 GLY CA C 0.508 0.238 -1.514 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 4 . 366 . 1 1 1 GLY H1 H 0.408 1.387 0.263 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 4 . 367 . 1 1 1 GLY HA2 H 1.582 0.163 -1.429 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 4 . 368 . 1 1 1 GLY HA3 H 0.066 -0.694 -1.194 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 4 . 369 . 1 1 1 GLY N N 0.041 1.301 -0.643 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 4 . 370 . 1 1 1 GLY O O -0.953 0.943 -3.271 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 4 . 371 . 1 1 2 CYS C C 0.715 -0.998 -6.002 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 4 . 372 . 1 1 2 CYS CA C 0.847 0.347 -5.293 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 4 . 373 . 1 1 2 CYS CB C 1.992 1.152 -5.911 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 4 . 374 . 1 1 2 CYS H H 1.929 -0.205 -3.560 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 4 . 375 . 1 1 2 CYS HA H -0.074 0.897 -5.416 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 4 . 376 . 1 1 2 CYS HB2 H 2.870 0.525 -5.972 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 4 . 377 . 1 1 2 CYS HB3 H 1.708 1.462 -6.906 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 4 . 378 . 1 1 2 CYS N N 1.072 0.162 -3.865 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 4 . 379 . 1 1 2 CYS O O 1.712 -1.655 -6.301 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 4 . 380 . 1 1 2 CYS SG S 2.443 2.646 -4.972 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 4 . 381 . 1 1 3 VAL C C -0.078 -2.728 -8.291 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 4 . 382 . 1 1 3 VAL CA C -0.787 -2.666 -6.943 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 4 . 383 . 1 1 3 VAL CB C -2.296 -2.884 -7.158 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 4 . 384 . 1 1 3 VAL CG1 C -2.974 -3.256 -5.848 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 4 . 385 . 1 1 3 VAL CG2 C -2.932 -1.642 -7.764 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 4 . 386 . 1 1 3 VAL H H -1.278 -0.834 -6.005 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 4 . 387 . 1 1 3 VAL HA H -0.415 -3.463 -6.315 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 4 . 388 . 1 1 3 VAL HB H -2.426 -3.703 -7.850 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 4 . 389 . 1 1 3 VAL HG11 H -2.470 -2.762 -5.030 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 4 . 390 . 1 1 3 VAL HG12 H -4.008 -2.944 -5.876 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 4 . 391 . 1 1 3 VAL HG13 H -2.925 -4.325 -5.708 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 4 . 392 . 1 1 3 VAL HG21 H -2.158 -0.959 -8.079 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 4 . 393 . 1 1 3 VAL HG22 H -3.533 -1.924 -8.617 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 4 . 394 . 1 1 3 VAL HG23 H -3.558 -1.162 -7.027 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 4 . 395 . 1 1 3 VAL N N -0.523 -1.401 -6.268 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 4 . 396 . 1 1 3 VAL O O -0.350 -1.894 -9.153 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 4 . 397 . 1 1 4 . C C 2.948 -3.285 -9.518 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 4 . 398 . 1 1 4 . CA C 1.540 -3.861 -9.687 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 4 . 399 . 1 1 4 . CB C 1.524 -5.323 -10.138 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 4 . 400 . 1 1 4 . CD1 C 2.892 -7.418 -9.828 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 4 . 401 . 1 1 4 . CD2 C 0.920 -6.945 -8.304 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 4 . 402 . 1 1 4 . CG C 2.058 -6.342 -9.130 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 4 . 403 . 1 1 4 . H H 1.020 -4.378 -7.737 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 4 . 404 . 1 1 4 . HA H 1.019 -3.282 -10.450 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 4 . 405 . 1 1 4 . HB2 H 2.109 -5.406 -11.054 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 4 . 406 . 1 1 4 . HB3 H 0.498 -5.593 -10.390 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 4 . 407 . 1 1 4 . HD11 H 3.486 -7.954 -9.088 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 4 . 408 . 1 1 4 . HD12 H 3.555 -6.949 -10.555 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 4 . 409 . 1 1 4 . HD13 H 2.229 -8.117 -10.338 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 4 . 410 . 1 1 4 . HD21 H 1.066 -8.021 -8.215 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 4 . 411 . 1 1 4 . HD22 H -0.032 -6.748 -8.799 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 4 . 412 . 1 1 4 . HD23 H 0.913 -6.495 -7.312 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 4 . 413 . 1 1 4 . HG H 2.719 -5.822 -8.436 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 4 . 414 . 1 1 4 . N N 0.805 -3.704 -8.443 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 4 . 415 . 1 1 4 . O O 3.919 -3.751 -10.114 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 4 . 416 . 1 1 5 TYR C C 4.748 -1.816 -6.977 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 4 . 417 . 1 1 5 TYR CA C 4.308 -1.592 -8.421 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 4 . 418 . 1 1 5 TYR CB C 4.197 -0.093 -8.705 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 4 . 419 . 1 1 5 TYR CD1 C 3.636 -0.531 -11.128 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 4 . 420 . 1 1 5 TYR CD2 C 2.555 1.289 -10.034 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 4 . 421 . 1 1 5 TYR CE1 C 2.955 -0.241 -12.294 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 4 . 422 . 1 1 5 TYR CE2 C 1.868 1.586 -11.195 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 4 . 423 . 1 1 5 TYR CG C 3.449 0.228 -9.979 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 4 . 424 . 1 1 5 TYR CZ C 2.072 0.818 -12.323 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 4 . 425 . 1 1 5 TYR H H 2.226 -1.927 -8.241 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 4 . 426 . 1 1 5 TYR HA H 5.048 -2.020 -9.081 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 4 . 427 . 1 1 5 TYR HB2 H 3.679 0.384 -7.887 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 4 . 428 . 1 1 5 TYR HB3 H 5.190 0.325 -8.788 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 4 . 429 . 1 1 5 TYR HD1 H 4.328 -1.361 -11.101 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 4 . 430 . 1 1 5 TYR HD2 H 2.397 1.889 -9.149 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 4 . 431 . 1 1 5 TYR HE1 H 3.115 -0.842 -13.177 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 4 . 432 . 1 1 5 TYR HE2 H 1.177 2.416 -11.219 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 4 . 433 . 1 1 5 TYR HH H 0.670 0.486 -13.595 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 4 . 434 . 1 1 5 TYR N N 3.036 -2.253 -8.686 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 4 . 435 . 1 1 5 TYR O O 4.639 -0.935 -6.124 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 4 . 436 . 1 1 5 TYR OH O 1.391 1.110 -13.482 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 4 . 437 . 1 1 6 PRO C C 7.001 -2.656 -4.964 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 4 . 438 . 1 1 6 PRO CA C 5.726 -3.394 -5.357 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 4 . 439 . 1 1 6 PRO CB C 5.993 -4.897 -5.476 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 4 . 440 . 1 1 6 PRO CD C 5.417 -4.123 -7.664 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 4 . 441 . 1 1 6 PRO CG C 6.267 -5.119 -6.924 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 4 . 442 . 1 1 6 PRO HA H 4.966 -3.220 -4.609 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 4 . 443 . 1 1 6 PRO HB2 H 6.845 -5.163 -4.867 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 4 . 444 . 1 1 6 PRO HB3 H 5.124 -5.448 -5.151 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 4 . 445 . 1 1 6 PRO HD2 H 5.925 -3.782 -8.554 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 4 . 446 . 1 1 6 PRO HD3 H 4.461 -4.556 -7.915 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 4 . 447 . 1 1 6 PRO HG2 H 7.313 -4.946 -7.130 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 4 . 448 . 1 1 6 PRO HG3 H 5.990 -6.125 -7.199 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 4 . 449 . 1 1 6 PRO N N 5.258 -3.025 -6.696 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 4 . 450 . 1 1 6 PRO O O 7.439 -2.721 -3.815 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 4 . 451 . 1 1 7 TRP C C 8.504 0.217 -5.223 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 4 . 452 . 1 1 7 TRP CA C 8.818 -1.204 -5.678 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 4 . 453 . 1 1 7 TRP CB C 9.682 -1.169 -6.940 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 4 . 454 . 1 1 7 TRP CD1 C 9.312 1.087 -8.098 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 4 . 455 . 1 1 7 TRP CD2 C 8.340 -0.647 -9.129 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 4 . 456 . 1 1 7 TRP CE2 C 8.062 0.524 -9.860 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 4 . 457 . 1 1 7 TRP CE3 C 7.832 -1.865 -9.589 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 4 . 458 . 1 1 7 TRP CG C 9.141 -0.265 -8.006 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 4 . 459 . 1 1 7 TRP CH2 C 6.813 -0.696 -11.452 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 4 . 460 . 1 1 7 TRP CZ2 C 7.298 0.511 -11.024 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 4 . 461 . 1 1 7 TRP CZ3 C 7.074 -1.877 -10.744 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 4 . 462 . 1 1 7 TRP H H 7.196 -1.942 -6.821 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 4 . 463 . 1 1 7 TRP HA H 9.363 -1.709 -4.894 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 4 . 464 . 1 1 7 TRP HB2 H 10.672 -0.825 -6.682 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 4 . 465 . 1 1 7 TRP HB3 H 9.747 -2.167 -7.350 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 4 . 466 . 1 1 7 TRP HD1 H 9.874 1.678 -7.391 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 4 . 467 . 1 1 7 TRP HE1 H 8.642 2.506 -9.493 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 4 . 468 . 1 1 7 TRP HE3 H 8.022 -2.786 -9.057 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 4 . 469 . 1 1 7 TRP HH2 H 6.216 -0.752 -12.349 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 4 . 470 . 1 1 7 TRP HZ2 H 7.089 1.412 -11.582 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 4 . 471 . 1 1 7 TRP HZ3 H 6.672 -2.808 -11.115 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 4 . 472 . 1 1 7 TRP N N 7.593 -1.955 -5.925 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 4 . 473 . 1 1 7 TRP NE1 N 8.665 1.568 -9.210 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 4 . 474 . 1 1 7 TRP O O 9.409 1.013 -4.970 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 4 . 475 . 1 1 8 CYS C C 7.466 2.260 -3.393 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 4 . 476 . 1 1 8 CYS CA C 6.783 1.855 -4.696 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 4 . 477 . 1 1 8 CYS CB C 5.263 1.884 -4.518 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 4 . 478 . 1 1 8 CYS H H 6.541 -0.148 -5.336 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 4 . 479 . 1 1 8 CYS HA H 7.060 2.558 -5.467 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 4 . 480 . 1 1 8 CYS HB2 H 4.870 0.893 -4.689 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 4 . 481 . 1 1 8 CYS HB3 H 5.033 2.189 -3.508 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 4 . 482 . 1 1 8 CYS N N 7.217 0.530 -5.121 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 4 . 483 . 1 1 8 CYS O O 8.105 1.439 -2.735 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 4 . 484 . 1 1 8 CYS SG S 4.404 3.023 -5.651 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 5 . 485 . 1 1 1 GLY C C 0.191 0.692 -2.953 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 5 . 486 . 1 1 1 GLY CA C 0.551 0.596 -1.484 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 5 . 487 . 1 1 1 GLY H1 H -0.412 2.207 -0.505 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 5 . 488 . 1 1 1 GLY HA2 H 1.561 0.224 -1.394 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 5 . 489 . 1 1 1 GLY HA3 H -0.122 -0.101 -1.006 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 5 . 490 . 1 1 1 GLY N N 0.460 1.875 -0.805 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 5 . 491 . 1 1 1 GLY O O -0.925 1.077 -3.303 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 5 . 492 . 1 1 2 CYS C C 0.821 -1.011 -5.842 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 5 . 493 . 1 1 2 CYS CA C 0.919 0.395 -5.257 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 5 . 494 . 1 1 2 CYS CB C 2.050 1.166 -5.940 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 5 . 495 . 1 1 2 CYS H H 2.010 0.045 -3.477 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 5 . 496 . 1 1 2 CYS HA H -0.013 0.910 -5.432 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 5 . 497 . 1 1 2 CYS HB2 H 2.942 0.557 -5.940 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 5 . 498 . 1 1 2 CYS HB3 H 1.765 1.379 -6.960 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 5 . 499 . 1 1 2 CYS N N 1.139 0.344 -3.817 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 5 . 500 . 1 1 2 CYS O O 1.834 -1.669 -6.078 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 5 . 501 . 1 1 2 CYS SG S 2.462 2.748 -5.137 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 5 . 502 . 1 1 3 VAL C C 0.077 -2.957 -7.970 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 5 . 503 . 1 1 3 VAL CA C -0.638 -2.791 -6.634 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 5 . 504 . 1 1 3 VAL CB C -2.142 -3.062 -6.832 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 5 . 505 . 1 1 3 VAL CG1 C -2.817 -3.330 -5.496 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 5 . 506 . 1 1 3 VAL CG2 C -2.803 -1.894 -7.549 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 5 . 507 . 1 1 3 VAL H H -1.175 -0.893 -5.867 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 5 . 508 . 1 1 3 VAL HA H -0.252 -3.520 -5.937 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 5 . 509 . 1 1 3 VAL HB H -2.250 -3.943 -7.448 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 5 . 510 . 1 1 3 VAL HG11 H -2.671 -4.364 -5.220 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 5 . 511 . 1 1 3 VAL HG12 H -2.386 -2.690 -4.740 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 5 . 512 . 1 1 3 VAL HG13 H -3.874 -3.126 -5.580 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 5 . 513 . 1 1 3 VAL HG21 H -2.043 -1.225 -7.922 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 5 . 514 . 1 1 3 VAL HG22 H -3.393 -2.265 -8.374 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 5 . 515 . 1 1 3 VAL HG23 H -3.443 -1.365 -6.859 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 5 . 516 . 1 1 3 VAL N N -0.407 -1.464 -6.075 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 5 . 517 . 1 1 3 VAL O O -0.210 -2.209 -8.904 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 5 . 518 . 1 1 4 . C C 3.120 -3.552 -9.135 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 5 . 519 . 1 1 4 . CA C 1.727 -4.172 -9.255 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 5 . 520 . 1 1 4 . CB C 1.746 -5.669 -9.574 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 5 . 521 . 1 1 4 . CD1 C -0.326 -6.808 -10.453 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 5 . 522 . 1 1 4 . CD2 C 1.855 -6.953 -11.741 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 5 . 523 . 1 1 4 . CG C 0.977 -6.097 -10.825 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 5 . 524 . 1 1 4 . H H 1.210 -4.525 -7.268 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 5 . 525 . 1 1 4 . HA H 1.196 -3.676 -10.068 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 5 . 526 . 1 1 4 . HB2 H 1.337 -6.207 -8.719 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 5 . 527 . 1 1 4 . HB3 H 2.783 -5.984 -9.683 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 5 . 528 . 1 1 4 . HD11 H -0.138 -7.875 -10.340 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 5 . 529 . 1 1 4 . HD12 H -1.064 -6.649 -11.239 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 5 . 530 . 1 1 4 . HD13 H -0.704 -6.404 -9.513 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 5 . 531 . 1 1 4 . HD21 H 1.518 -6.844 -12.772 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 5 . 532 . 1 1 4 . HD22 H 1.780 -7.999 -11.443 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 5 . 533 . 1 1 4 . HD23 H 2.891 -6.625 -11.661 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 5 . 534 . 1 1 4 . HG H 0.707 -5.201 -11.384 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 5 . 535 . 1 1 4 . N N 0.983 -3.922 -8.032 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 5 . 536 . 1 1 4 . O O 4.105 -4.046 -9.685 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 5 . 537 . 1 1 5 TYR C C 4.876 -1.822 -6.731 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 5 . 538 . 1 1 5 TYR CA C 4.438 -1.737 -8.190 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 5 . 539 . 1 1 5 TYR CB C 4.294 -0.272 -8.607 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 5 . 540 . 1 1 5 TYR CD1 C 3.752 -0.936 -10.982 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 5 . 541 . 1 1 5 TYR CD2 C 2.624 0.948 -10.055 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 5 . 542 . 1 1 5 TYR CE1 C 3.069 -0.767 -12.171 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 5 . 543 . 1 1 5 TYR CE2 C 1.935 1.124 -11.240 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 5 . 544 . 1 1 5 TYR CG C 3.543 -0.083 -9.906 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 5 . 545 . 1 1 5 TYR CZ C 2.161 0.265 -12.295 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 5 . 546 . 1 1 5 TYR H H 2.363 -2.102 -7.985 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 5 . 547 . 1 1 5 TYR HA H 5.190 -2.205 -8.808 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 5 . 548 . 1 1 5 TYR HB2 H 3.762 0.264 -7.836 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 5 . 549 . 1 1 5 TYR HB3 H 5.277 0.159 -8.726 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 5 . 550 . 1 1 5 TYR HD1 H 4.463 -1.743 -10.882 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 5 . 551 . 1 1 5 TYR HD2 H 2.449 1.620 -9.227 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 5 . 552 . 1 1 5 TYR HE1 H 3.245 -1.440 -12.997 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 5 . 553 . 1 1 5 TYR HE2 H 1.224 1.932 -11.338 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 5 . 554 . 1 1 5 TYR HH H 1.170 1.344 -13.539 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 5 . 555 . 1 1 5 TYR N N 3.182 -2.448 -8.398 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 5 . 556 . 1 1 5 TYR O O 4.744 -0.871 -5.960 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 5 . 557 . 1 1 5 TYR OH O 1.477 0.436 -13.477 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 5 . 558 . 1 1 6 PRO C C 7.140 -2.427 -4.647 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 5 . 559 . 1 1 6 PRO CA C 5.884 -3.226 -4.975 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 5 . 560 . 1 1 6 PRO CB C 6.186 -4.727 -4.960 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 5 . 561 . 1 1 6 PRO CD C 5.602 -4.164 -7.209 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 5 . 562 . 1 1 6 PRO CG C 6.471 -5.070 -6.381 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 5 . 563 . 1 1 6 PRO HA H 5.117 -3.004 -4.247 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 5 . 564 . 1 1 6 PRO HB2 H 7.041 -4.918 -4.327 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 5 . 565 . 1 1 6 PRO HB3 H 5.328 -5.266 -4.588 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 5 . 566 . 1 1 6 PRO HD2 H 6.104 -3.892 -8.125 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 5 . 567 . 1 1 6 PRO HD3 H 4.656 -4.640 -7.422 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 5 . 568 . 1 1 6 PRO HG2 H 7.513 -4.892 -6.600 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 5 . 569 . 1 1 6 PRO HG3 H 6.218 -6.103 -6.567 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 5 . 570 . 1 1 6 PRO N N 5.413 -2.988 -6.343 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 5 . 571 . 1 1 6 PRO O O 7.574 -2.379 -3.496 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 5 . 572 . 1 1 7 TRP C C 8.577 0.446 -5.157 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 5 . 573 . 1 1 7 TRP CA C 8.926 -1.002 -5.484 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 5 . 574 . 1 1 7 TRP CB C 9.794 -1.059 -6.742 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 5 . 575 . 1 1 7 TRP CD1 C 9.378 1.077 -8.096 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 5 . 576 . 1 1 7 TRP CD2 C 8.449 -0.764 -8.971 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 5 . 577 . 1 1 7 TRP CE2 C 8.148 0.331 -9.804 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 5 . 578 . 1 1 7 TRP CE3 C 7.971 -2.029 -9.322 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 5 . 579 . 1 1 7 TRP CG C 9.237 -0.265 -7.885 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 5 . 580 . 1 1 7 TRP CH2 C 6.934 -1.053 -11.284 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 5 . 581 . 1 1 7 TRP CZ2 C 7.389 0.197 -10.964 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 5 . 582 . 1 1 7 TRP CZ3 C 7.218 -2.161 -10.474 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 5 . 583 . 1 1 7 TRP H H 7.326 -1.876 -6.560 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 5 . 584 . 1 1 7 TRP HA H 9.479 -1.422 -4.656 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 5 . 585 . 1 1 7 TRP HB2 H 10.775 -0.671 -6.513 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 5 . 586 . 1 1 7 TRP HB3 H 9.883 -2.087 -7.062 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 5 . 587 . 1 1 7 TRP HD1 H 9.923 1.741 -7.443 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 5 . 588 . 1 1 7 TRP HE1 H 8.681 2.351 -9.613 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 5 . 589 . 1 1 7 TRP HE3 H 8.179 -2.895 -8.711 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 5 . 590 . 1 1 7 TRP HH2 H 6.342 -1.202 -12.174 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 5 . 591 . 1 1 7 TRP HZ2 H 7.162 1.041 -11.599 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 5 . 592 . 1 1 7 TRP HZ3 H 6.839 -3.130 -10.761 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 5 . 593 . 1 1 7 TRP N N 7.719 -1.800 -5.665 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 5 . 594 . 1 1 7 TRP NE1 N 8.725 1.442 -9.248 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 5 . 595 . 1 1 7 TRP O O 9.463 1.282 -4.974 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 5 . 596 . 1 1 8 CYS C C 7.485 2.619 -3.519 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 5 . 597 . 1 1 8 CYS CA C 6.816 2.084 -4.783 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 5 . 598 . 1 1 8 CYS CB C 5.296 2.094 -4.612 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 5 . 599 . 1 1 8 CYS H H 6.624 0.027 -5.243 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 5 . 600 . 1 1 8 CYS HA H 7.081 2.722 -5.612 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 5 . 601 . 1 1 8 CYS HB2 H 4.924 1.085 -4.715 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 5 . 602 . 1 1 8 CYS HB3 H 5.055 2.463 -3.626 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 5 . 603 . 1 1 8 CYS N N 7.283 0.737 -5.087 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 5 . 604 . 1 1 8 CYS O O 7.189 3.727 -3.071 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 5 . 605 . 1 1 8 CYS SG S 4.419 3.133 -5.824 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 6 . 606 . 1 1 1 GLY C C 0.089 0.675 -3.010 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 6 . 607 . 1 1 1 GLY CA C 0.429 0.608 -1.535 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 6 . 608 . 1 1 1 GLY H1 H 1.751 2.242 -1.280 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 6 . 609 . 1 1 1 GLY HA2 H 1.209 -0.124 -1.388 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 6 . 610 . 1 1 1 GLY HA3 H -0.450 0.297 -0.989 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 6 . 611 . 1 1 1 GLY N N 0.879 1.884 -1.010 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 6 . 612 . 1 1 1 GLY O O -1.043 0.989 -3.381 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 6 . 613 . 1 1 2 CYS C C 0.789 -1.003 -5.867 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 6 . 614 . 1 1 2 CYS CA C 0.871 0.411 -5.300 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 6 . 615 . 1 1 2 CYS CB C 2.009 1.178 -5.977 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 6 . 616 . 1 1 2 CYS H H 1.952 0.137 -3.500 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 6 . 617 . 1 1 2 CYS HA H -0.061 0.919 -5.496 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 6 . 618 . 1 1 2 CYS HB2 H 2.903 0.573 -5.955 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 6 . 619 . 1 1 2 CYS HB3 H 1.739 1.376 -7.004 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 6 . 620 . 1 1 2 CYS N N 1.070 0.381 -3.856 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 6 . 621 . 1 1 2 CYS O O 1.809 -1.657 -6.086 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 6 . 622 . 1 1 2 CYS SG S 2.401 2.773 -5.189 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 6 . 623 . 1 1 3 VAL C C 0.076 -2.983 -7.975 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 6 . 624 . 1 1 3 VAL CA C -0.650 -2.805 -6.647 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 6 . 625 . 1 1 3 VAL CB C -2.150 -3.091 -6.852 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 6 . 626 . 1 1 3 VAL CG1 C -2.832 -3.347 -5.517 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 6 . 627 . 1 1 3 VAL CG2 C -2.815 -1.939 -7.589 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 6 . 628 . 1 1 3 VAL H H -1.208 -0.902 -5.909 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 6 . 629 . 1 1 3 VAL HA H -0.262 -3.521 -5.937 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 6 . 630 . 1 1 3 VAL HB H -2.246 -3.981 -7.457 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 6 . 631 . 1 1 3 VAL HG11 H -2.260 -2.883 -4.726 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 6 . 632 . 1 1 3 VAL HG12 H -3.828 -2.928 -5.536 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 6 . 633 . 1 1 3 VAL HG13 H -2.892 -4.411 -5.341 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 6 . 634 . 1 1 3 VAL HG21 H -3.465 -1.406 -6.910 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 6 . 635 . 1 1 3 VAL HG22 H -2.058 -1.266 -7.965 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 6 . 636 . 1 1 3 VAL HG23 H -3.395 -2.325 -8.414 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 6 . 637 . 1 1 3 VAL N N -0.433 -1.470 -6.104 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 6 . 638 . 1 1 3 VAL O O -0.210 -2.250 -8.921 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 6 . 639 . 1 1 4 . C C 3.133 -3.569 -9.110 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 6 . 640 . 1 1 4 . CA C 1.745 -4.202 -9.232 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 6 . 641 . 1 1 4 . CB C 1.777 -5.702 -9.532 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 6 . 642 . 1 1 4 . CD1 C 0.563 -7.741 -10.383 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 6 . 643 . 1 1 4 . CD2 C 0.955 -5.758 -11.915 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 6 . 644 . 1 1 4 . CG C 0.694 -6.220 -10.480 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 6 . 645 . 1 1 4 . H H 1.217 -4.533 -7.245 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 6 . 646 . 1 1 4 . HA H 1.217 -3.720 -10.055 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 6 . 647 . 1 1 4 . HB2 H 1.695 -6.242 -8.588 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 6 . 648 . 1 1 4 . HB3 H 2.751 -5.947 -9.956 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 6 . 649 . 1 1 4 . HD11 H 0.443 -8.160 -11.382 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 6 . 650 . 1 1 4 . HD12 H -0.308 -7.993 -9.777 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 6 . 651 . 1 1 4 . HD13 H 1.459 -8.155 -9.921 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 6 . 652 . 1 1 4 . HD21 H 1.037 -6.627 -12.568 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 6 . 653 . 1 1 4 . HD22 H 1.884 -5.188 -11.950 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 6 . 654 . 1 1 4 . HD23 H 0.130 -5.128 -12.249 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 6 . 655 . 1 1 4 . HG H -0.261 -5.794 -10.173 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 6 . 656 . 1 1 4 . N N 0.990 -3.941 -8.018 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 6 . 657 . 1 1 4 . O O 4.124 -4.062 -9.649 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 6 . 658 . 1 1 5 TYR C C 4.860 -1.800 -6.715 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 6 . 659 . 1 1 5 TYR CA C 4.430 -1.734 -8.177 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 6 . 660 . 1 1 5 TYR CB C 4.277 -0.275 -8.610 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 6 . 661 . 1 1 5 TYR CD1 C 3.758 -0.969 -10.982 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 6 . 662 . 1 1 5 TYR CD2 C 2.610 0.917 -10.085 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 6 . 663 . 1 1 5 TYR CE1 C 3.083 -0.818 -12.177 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 6 . 664 . 1 1 5 TYR CE2 C 1.929 1.075 -11.277 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 6 . 665 . 1 1 5 TYR CG C 3.535 -0.106 -9.917 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 6 . 666 . 1 1 5 TYR CZ C 2.169 0.206 -12.320 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 6 . 667 . 1 1 5 TYR H H 2.357 -2.113 -7.981 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 6 . 668 . 1 1 5 TYR HA H 5.190 -2.202 -8.785 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 6 . 669 . 1 1 5 TYR HB2 H 3.735 0.264 -7.849 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 6 . 670 . 1 1 5 TYR HB3 H 5.258 0.163 -8.726 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 6 . 671 . 1 1 5 TYR HD1 H 4.474 -1.770 -10.867 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 6 . 672 . 1 1 5 TYR HD2 H 2.424 1.597 -9.266 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 6 . 673 . 1 1 5 TYR HE1 H 3.270 -1.499 -12.994 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 6 . 674 . 1 1 5 TYR HE2 H 1.214 1.877 -11.389 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 6 . 675 . 1 1 5 TYR HH H 1.602 1.260 -13.824 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 6 . 676 . 1 1 5 TYR N N 3.181 -2.457 -8.385 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 6 . 677 . 1 1 5 TYR O O 4.715 -0.842 -5.954 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 6 . 678 . 1 1 5 TYR OH O 1.494 0.359 -13.509 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 6 . 679 . 1 1 6 PRO C C 7.115 -2.364 -4.610 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 6 . 680 . 1 1 6 PRO CA C 5.868 -3.177 -4.937 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 6 . 681 . 1 1 6 PRO CB C 6.181 -4.675 -4.905 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 6 . 682 . 1 1 6 PRO CD C 5.607 -4.141 -7.163 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 6 . 683 . 1 1 6 PRO CG C 6.478 -5.031 -6.320 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 6 . 684 . 1 1 6 PRO HA H 5.095 -2.954 -4.217 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 6 . 685 . 1 1 6 PRO HB2 H 7.034 -4.853 -4.264 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 6 . 686 . 1 1 6 PRO HB3 H 5.326 -5.218 -4.532 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 6 . 687 . 1 1 6 PRO HD2 H 6.113 -3.874 -8.078 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 6 . 688 . 1 1 6 PRO HD3 H 4.667 -4.627 -7.377 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 6 . 689 . 1 1 6 PRO HG2 H 7.520 -4.847 -6.534 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 6 . 690 . 1 1 6 PRO HG3 H 6.235 -6.068 -6.496 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 6 . 691 . 1 1 6 PRO N N 5.403 -2.958 -6.310 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 6 . 692 . 1 1 6 PRO O O 7.541 -2.301 -3.457 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 6 . 693 . 1 1 7 TRP C C 8.534 0.514 -5.143 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 6 . 694 . 1 1 7 TRP CA C 8.896 -0.935 -5.451 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 6 . 695 . 1 1 7 TRP CB C 9.773 -1.000 -6.703 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 6 . 696 . 1 1 7 TRP CD1 C 9.349 1.117 -8.083 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 6 . 697 . 1 1 7 TRP CD2 C 8.440 -0.741 -8.944 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 6 . 698 . 1 1 7 TRP CE2 C 8.136 0.343 -9.791 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 6 . 699 . 1 1 7 TRP CE3 C 7.974 -2.013 -9.283 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 6 . 700 . 1 1 7 TRP CG C 9.217 -0.223 -7.858 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 6 . 701 . 1 1 7 TRP CH2 C 6.942 -1.068 -11.263 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 6 . 702 . 1 1 7 TRP CZ2 C 7.386 0.189 -10.954 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 6 . 703 . 1 1 7 TRP CZ3 C 7.230 -2.164 -10.438 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 6 . 704 . 1 1 7 TRP H H 7.310 -1.834 -6.528 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 6 . 705 . 1 1 7 TRP HA H 9.447 -1.341 -4.615 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 6 . 706 . 1 1 7 TRP HB2 H 10.749 -0.601 -6.472 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 6 . 707 . 1 1 7 TRP HB3 H 9.872 -2.031 -7.010 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 6 . 708 . 1 1 7 TRP HD1 H 9.885 1.793 -7.435 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 6 . 709 . 1 1 7 TRP HE1 H 8.652 2.369 -9.620 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 6 . 710 . 1 1 7 TRP HE3 H 8.185 -2.870 -8.661 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 6 . 711 . 1 1 7 TRP HH2 H 6.358 -1.232 -12.155 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 6 . 712 . 1 1 7 TRP HZ2 H 7.157 1.024 -11.601 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 6 . 713 . 1 1 7 TRP HZ3 H 6.860 -3.140 -10.717 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 6 . 714 . 1 1 7 TRP N N 7.696 -1.745 -5.631 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 6 . 715 . 1 1 7 TRP NE1 N 8.700 1.464 -9.244 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 6 . 716 . 1 1 7 TRP O O 9.411 1.359 -4.963 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 6 . 717 . 1 1 8 CYS C C 7.412 2.696 -3.537 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 6 . 718 . 1 1 8 CYS CA C 6.758 2.142 -4.799 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 6 . 719 . 1 1 8 CYS CB C 5.236 2.142 -4.640 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 6 . 720 . 1 1 8 CYS H H 6.584 0.079 -5.238 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 6 . 721 . 1 1 8 CYS HA H 7.023 2.773 -5.634 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 6 . 722 . 1 1 8 CYS HB2 H 4.870 1.132 -4.755 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 6 . 723 . 1 1 8 CYS HB3 H 4.985 2.500 -3.653 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 6 . 724 . 1 1 8 CYS N N 7.236 0.795 -5.085 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 6 . 725 . 1 1 8 CYS O O 7.345 2.083 -2.471 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 6 . 726 . 1 1 8 CYS SG S 4.362 3.188 -5.849 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 7 . 727 . 1 1 1 GLY C C 0.139 0.559 -3.016 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 7 . 728 . 1 1 1 GLY CA C 0.508 0.546 -1.545 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 7 . 729 . 1 1 1 GLY H1 H 0.626 -1.031 -0.137 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 7 . 730 . 1 1 1 GLY HA2 H 0.035 1.385 -1.058 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 7 . 731 . 1 1 1 GLY HA3 H 1.580 0.647 -1.454 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 7 . 732 . 1 1 1 GLY N N 0.095 -0.677 -0.881 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 7 . 733 . 1 1 1 GLY O O -1.040 0.599 -3.367 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 7 . 734 . 1 1 2 CYS C C 0.811 -0.883 -5.862 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 7 . 735 . 1 1 2 CYS CA C 0.927 0.538 -5.319 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 7 . 736 . 1 1 2 CYS CB C 2.066 1.274 -6.026 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 7 . 737 . 1 1 2 CYS H H 2.069 0.495 -3.537 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 7 . 738 . 1 1 2 CYS HA H 0.001 1.059 -5.507 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 7 . 739 . 1 1 2 CYS HB2 H 2.951 0.654 -6.010 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 7 . 740 . 1 1 2 CYS HB3 H 1.782 1.460 -7.052 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 7 . 741 . 1 1 2 CYS N N 1.150 0.527 -3.878 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 7 . 742 . 1 1 2 CYS O O 1.815 -1.563 -6.075 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 7 . 743 . 1 1 2 CYS SG S 2.500 2.874 -5.271 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 7 . 744 . 1 1 3 VAL C C 0.045 -2.883 -7.931 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 7 . 745 . 1 1 3 VAL CA C -0.672 -2.666 -6.603 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 7 . 746 . 1 1 3 VAL CB C -2.178 -2.922 -6.798 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 7 . 747 . 1 1 3 VAL CG1 C -2.861 -3.140 -5.456 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 7 . 748 . 1 1 3 VAL CG2 C -2.821 -1.767 -7.551 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 7 . 749 . 1 1 3 VAL H H -1.183 -0.739 -5.894 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 7 . 750 . 1 1 3 VAL HA H -0.298 -3.379 -5.882 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 7 . 751 . 1 1 3 VAL HB H -2.297 -3.819 -7.387 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 7 . 752 . 1 1 3 VAL HG11 H -3.861 -2.734 -5.492 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 7 . 753 . 1 1 3 VAL HG12 H -2.908 -4.198 -5.243 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 7 . 754 . 1 1 3 VAL HG13 H -2.298 -2.640 -4.681 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 7 . 755 . 1 1 3 VAL HG21 H -3.414 -2.155 -8.365 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 7 . 756 . 1 1 3 VAL HG22 H -3.455 -1.206 -6.879 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 7 . 757 . 1 1 3 VAL HG23 H -2.051 -1.119 -7.943 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 7 . 758 . 1 1 3 VAL N N -0.423 -1.327 -6.083 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 7 . 759 . 1 1 3 VAL O O -0.228 -2.160 -8.888 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 7 . 760 . 1 1 4 . C C 3.083 -3.555 -9.067 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 7 . 761 . 1 1 4 . CA C 1.681 -4.160 -9.172 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 7 . 762 . 1 1 4 . CB C 1.680 -5.666 -9.445 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 7 . 763 . 1 1 4 . CD1 C 0.424 -7.621 -10.423 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 7 . 764 . 1 1 4 . CD2 C 1.403 -5.844 -11.945 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 7 . 765 . 1 1 4 . CG C 0.774 -6.140 -10.583 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 7 . 766 . 1 1 4 . H H 1.154 -4.445 -7.177 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 7 . 767 . 1 1 4 . HA H 1.160 -3.682 -10.002 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 7 . 768 . 1 1 4 . HB2 H 1.383 -6.180 -8.531 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 7 . 769 . 1 1 4 . HB3 H 2.701 -5.975 -9.667 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 7 . 770 . 1 1 4 . HD11 H 0.994 -8.209 -11.142 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 7 . 771 . 1 1 4 . HD12 H -0.642 -7.764 -10.601 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 7 . 772 . 1 1 4 . HD13 H 0.669 -7.946 -9.412 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 7 . 773 . 1 1 4 . HD21 H 1.166 -4.822 -12.241 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 7 . 774 . 1 1 4 . HD22 H 1.007 -6.538 -12.687 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 7 . 775 . 1 1 4 . HD23 H 2.485 -5.961 -11.879 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 7 . 776 . 1 1 4 . HG H -0.160 -5.581 -10.531 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 7 . 777 . 1 1 4 . N N 0.937 -3.862 -7.960 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 7 . 778 . 1 1 4 . O O 4.062 -4.081 -9.597 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 7 . 779 . 1 1 5 TYR C C 4.855 -1.774 -6.713 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 7 . 780 . 1 1 5 TYR CA C 4.422 -1.730 -8.175 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 7 . 781 . 1 1 5 TYR CB C 4.300 -0.278 -8.639 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 7 . 782 . 1 1 5 TYR CD1 C 3.758 -1.010 -10.994 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 7 . 783 . 1 1 5 TYR CD2 C 2.655 0.920 -10.134 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 7 . 784 . 1 1 5 TYR CE1 C 3.082 -0.869 -12.190 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 7 . 785 . 1 1 5 TYR CE2 C 1.973 1.068 -11.326 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 7 . 786 . 1 1 5 TYR CG C 3.557 -0.120 -9.946 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 7 . 787 . 1 1 5 TYR CZ C 2.190 0.171 -12.351 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 7 . 788 . 1 1 5 TYR H H 2.342 -2.060 -7.967 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 7 . 789 . 1 1 5 TYR HA H 5.170 -2.228 -8.775 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 7 . 790 . 1 1 5 TYR HB2 H 3.773 0.290 -7.888 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 7 . 791 . 1 1 5 TYR HB3 H 5.290 0.136 -8.767 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 7 . 792 . 1 1 5 TYR HD1 H 4.457 -1.823 -10.864 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 7 . 793 . 1 1 5 TYR HD2 H 2.487 1.621 -9.329 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 7 . 794 . 1 1 5 TYR HE1 H 3.251 -1.571 -12.993 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 7 . 795 . 1 1 5 TYR HE2 H 1.275 1.882 -11.453 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 7 . 796 . 1 1 5 TYR HH H 0.798 0.944 -13.428 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 7 . 797 . 1 1 5 TYR N N 3.157 -2.430 -8.365 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 7 . 798 . 1 1 5 TYR O O 4.733 -0.798 -5.973 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 7 . 799 . 1 1 5 TYR OH O 1.514 0.315 -13.541 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 7 . 800 . 1 1 6 PRO C C 7.103 -2.344 -4.602 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 7 . 801 . 1 1 6 PRO CA C 5.836 -3.136 -4.909 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 7 . 802 . 1 1 6 PRO CB C 6.117 -4.639 -4.845 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 7 . 803 . 1 1 6 PRO CD C 5.548 -4.141 -7.113 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 7 . 804 . 1 1 6 PRO CG C 6.402 -5.032 -6.253 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 7 . 805 . 1 1 6 PRO HA H 5.070 -2.880 -4.191 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 7 . 806 . 1 1 6 PRO HB2 H 6.967 -4.823 -4.203 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 7 . 807 . 1 1 6 PRO HB3 H 5.250 -5.155 -4.459 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 7 . 808 . 1 1 6 PRO HD2 H 6.058 -3.905 -8.035 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 7 . 809 . 1 1 6 PRO HD3 H 4.597 -4.610 -7.314 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 7 . 810 . 1 1 6 PRO HG2 H 7.447 -4.876 -6.474 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 7 . 811 . 1 1 6 PRO HG3 H 6.135 -6.067 -6.407 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 7 . 812 . 1 1 6 PRO N N 5.373 -2.935 -6.285 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 7 . 813 . 1 1 6 PRO O O 7.533 -2.266 -3.451 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 7 . 814 . 1 1 7 TRP C C 8.583 0.490 -5.198 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 7 . 815 . 1 1 7 TRP CA C 8.912 -0.972 -5.476 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 7 . 816 . 1 1 7 TRP CB C 9.783 -1.082 -6.729 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 7 . 817 . 1 1 7 TRP CD1 C 9.401 1.015 -8.152 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 7 . 818 . 1 1 7 TRP CD2 C 8.450 -0.840 -8.972 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 7 . 819 . 1 1 7 TRP CE2 C 8.167 0.232 -9.841 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 7 . 820 . 1 1 7 TRP CE3 C 7.955 -2.109 -9.284 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 7 . 821 . 1 1 7 TRP CG C 9.241 -0.318 -7.898 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 7 . 822 . 1 1 7 TRP CH2 C 6.939 -1.182 -11.280 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 7 . 823 . 1 1 7 TRP CZ2 C 7.411 0.071 -10.998 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 7 . 824 . 1 1 7 TRP CZ3 C 7.205 -2.267 -10.434 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 7 . 825 . 1 1 7 TRP H H 7.303 -1.857 -6.530 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 7 . 826 . 1 1 7 TRP HA H 9.456 -1.373 -4.634 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 7 . 827 . 1 1 7 TRP HB2 H 10.769 -0.700 -6.509 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 7 . 828 . 1 1 7 TRP HB3 H 9.859 -2.121 -7.015 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 7 . 829 . 1 1 7 TRP HD1 H 9.953 1.692 -7.519 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 7 . 830 . 1 1 7 TRP HE1 H 8.727 2.249 -9.712 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 7 . 831 . 1 1 7 TRP HE3 H 8.150 -2.957 -8.644 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 7 . 832 . 1 1 7 TRP HH2 H 6.348 -1.351 -12.167 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 7 . 833 . 1 1 7 TRP HZ2 H 7.198 0.897 -11.661 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 7 . 834 . 1 1 7 TRP HZ3 H 6.814 -3.240 -10.691 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 7 . 835 . 1 1 7 TRP N N 7.694 -1.759 -5.637 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 7 . 836 . 1 1 7 TRP NE1 N 8.757 1.352 -9.318 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 7 . 837 . 1 1 7 TRP O O 9.479 1.319 -5.039 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 7 . 838 . 1 1 8 CYS C C 7.516 2.730 -3.634 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 7 . 839 . 1 1 8 CYS CA C 6.844 2.164 -4.881 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 7 . 840 . 1 1 8 CYS CB C 5.323 2.201 -4.716 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 7 . 841 . 1 1 8 CYS H H 6.623 0.096 -5.276 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 7 . 842 . 1 1 8 CYS HA H 7.119 2.771 -5.730 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 7 . 843 . 1 1 8 CYS HB2 H 4.940 1.192 -4.763 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 7 . 844 . 1 1 8 CYS HB3 H 5.084 2.626 -3.752 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 7 . 845 . 1 1 8 CYS N N 7.292 0.801 -5.140 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 7 . 846 . 1 1 8 CYS O O 7.366 3.910 -3.317 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 7 . 847 . 1 1 8 CYS SG S 4.460 3.180 -5.986 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 8 . 848 . 1 1 1 GLY C C 0.039 1.382 -3.123 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 8 . 849 . 1 1 1 GLY CA C 0.029 1.275 -1.611 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 8 . 850 . 1 1 1 GLY H1 H 1.272 -0.275 -0.880 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 8 . 851 . 1 1 1 GLY HA2 H -0.812 0.670 -1.309 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 8 . 852 . 1 1 1 GLY HA3 H -0.085 2.265 -1.193 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 8 . 853 . 1 1 1 GLY N N 1.246 0.683 -1.088 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 8 . 854 . 1 1 1 GLY O O -0.631 2.241 -3.697 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 8 . 855 . 1 1 2 CYS C C 0.780 -0.910 -5.779 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 8 . 856 . 1 1 2 CYS CA C 0.899 0.508 -5.226 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 8 . 857 . 1 1 2 CYS CB C 2.225 1.130 -5.669 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 8 . 858 . 1 1 2 CYS H H 1.313 -0.154 -3.258 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 8 . 859 . 1 1 2 CYS HA H 0.085 1.101 -5.613 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 8 . 860 . 1 1 2 CYS HB2 H 3.040 0.532 -5.287 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 8 . 861 . 1 1 2 CYS HB3 H 2.266 1.139 -6.748 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 8 . 862 . 1 1 2 CYS N N 0.802 0.508 -3.771 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 8 . 863 . 1 1 2 CYS O O 1.784 -1.582 -6.015 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 8 . 864 . 1 1 2 CYS SG S 2.474 2.839 -5.089 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 8 . 865 . 1 1 3 VAL C C -0.019 -2.892 -7.856 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 8 . 866 . 1 1 3 VAL CA C -0.706 -2.694 -6.509 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 8 . 867 . 1 1 3 VAL CB C -2.215 -2.958 -6.671 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 8 . 868 . 1 1 3 VAL CG1 C -2.865 -3.192 -5.316 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 8 . 869 . 1 1 3 VAL CG2 C -2.883 -1.802 -7.400 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 8 . 870 . 1 1 3 VAL H H -1.215 -0.775 -5.776 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 8 . 871 . 1 1 3 VAL HA H -0.310 -3.410 -5.805 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 8 . 872 . 1 1 3 VAL HB H -2.341 -3.852 -7.265 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 8 . 873 . 1 1 3 VAL HG11 H -3.879 -2.822 -5.335 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 8 . 874 . 1 1 3 VAL HG12 H -2.869 -4.249 -5.096 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 8 . 875 . 1 1 3 VAL HG13 H -2.306 -2.667 -4.554 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 8 . 876 . 1 1 3 VAL HG21 H -3.508 -1.256 -6.710 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 8 . 877 . 1 1 3 VAL HG22 H -2.126 -1.143 -7.800 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 8 . 878 . 1 1 3 VAL HG23 H -3.488 -2.187 -8.207 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 8 . 879 . 1 1 3 VAL N N -0.455 -1.357 -5.983 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 8 . 880 . 1 1 3 VAL O O -0.316 -2.158 -8.798 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 8 . 881 . 1 1 4 . C C 2.995 -3.549 -9.067 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 8 . 882 . 1 1 4 . CA C 1.591 -4.150 -9.150 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 8 . 883 . 1 1 4 . CB C 1.581 -5.651 -9.445 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 8 . 884 . 1 1 4 . CD1 C 0.552 -7.458 -10.871 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 8 . 885 . 1 1 4 . CD2 C 2.330 -5.929 -11.837 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 8 . 886 . 1 1 4 . CG C 1.160 -6.055 -10.859 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 8 . 887 . 1 1 4 . H H 1.109 -4.461 -7.147 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 8 . 888 . 1 1 4 . HA H 1.052 -3.659 -9.961 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 8 . 889 . 1 1 4 . HB2 H 0.910 -6.137 -8.735 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 8 . 890 . 1 1 4 . HB3 H 2.580 -6.045 -9.259 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 8 . 891 . 1 1 4 . HD11 H 0.386 -7.791 -9.847 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 8 . 892 . 1 1 4 . HD12 H 1.234 -8.146 -11.371 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 8 . 893 . 1 1 4 . HD13 H -0.399 -7.438 -11.405 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 8 . 894 . 1 1 4 . HD21 H 2.306 -6.760 -12.542 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 8 . 895 . 1 1 4 . HD22 H 3.269 -5.950 -11.283 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 8 . 896 . 1 1 4 . HD23 H 2.250 -4.988 -12.381 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 8 . 897 . 1 1 4 . HG H 0.385 -5.365 -11.195 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 8 . 898 . 1 1 4 . N N 0.874 -3.869 -7.918 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 8 . 899 . 1 1 4 . O O 3.959 -4.061 -9.637 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 8 . 900 . 1 1 5 TYR C C 4.833 -1.834 -6.716 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 8 . 901 . 1 1 5 TYR CA C 4.360 -1.749 -8.164 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 8 . 902 . 1 1 5 TYR CB C 4.227 -0.284 -8.583 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 8 . 903 . 1 1 5 TYR CD1 C 3.615 -0.948 -10.941 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 8 . 904 . 1 1 5 TYR CD2 C 2.537 0.955 -9.992 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 8 . 905 . 1 1 5 TYR CE1 C 2.903 -0.773 -12.112 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 8 . 906 . 1 1 5 TYR CE2 C 1.820 1.136 -11.159 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 8 . 907 . 1 1 5 TYR CG C 3.445 -0.089 -9.862 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 8 . 908 . 1 1 5 TYR CZ C 2.007 0.271 -12.216 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 8 . 909 . 1 1 5 TYR H H 2.286 -2.083 -7.908 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 8 . 910 . 1 1 5 TYR HA H 5.090 -2.229 -8.798 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 8 . 911 . 1 1 5 TYR HB2 H 3.723 0.263 -7.801 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 8 . 912 . 1 1 5 TYR HB3 H 5.212 0.133 -8.729 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 8 . 913 . 1 1 5 TYR HD1 H 4.317 -1.764 -10.856 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 8 . 914 . 1 1 5 TYR HD2 H 2.392 1.631 -9.162 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 8 . 915 . 1 1 5 TYR HE1 H 3.049 -1.451 -12.940 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 8 . 916 . 1 1 5 TYR HE2 H 1.118 1.953 -11.241 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 8 . 917 . 1 1 5 TYR HH H 1.509 -0.258 -13.996 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 8 . 918 . 1 1 5 TYR N N 3.090 -2.443 -8.338 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 8 . 919 . 1 1 5 TYR O O 4.729 -0.880 -5.944 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 8 . 920 . 1 1 5 TYR OH O 1.295 0.447 -13.381 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 8 . 921 . 1 1 6 PRO C C 7.141 -2.456 -4.686 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 8 . 922 . 1 1 6 PRO CA C 5.870 -3.244 -4.981 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 8 . 923 . 1 1 6 PRO CB C 6.158 -4.747 -4.969 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 8 . 924 . 1 1 6 PRO CD C 5.524 -4.184 -7.205 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 8 . 925 . 1 1 6 PRO CG C 6.405 -5.097 -6.396 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 8 . 926 . 1 1 6 PRO HA H 5.123 -3.013 -4.235 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 8 . 927 . 1 1 6 PRO HB2 H 7.026 -4.945 -4.357 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 8 . 928 . 1 1 6 PRO HB3 H 5.304 -5.278 -4.576 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 8 . 929 . 1 1 6 PRO HD2 H 6.007 -3.919 -8.133 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 8 . 930 . 1 1 6 PRO HD3 H 4.569 -4.652 -7.394 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 8 . 931 . 1 1 6 PRO HG2 H 7.443 -4.929 -6.641 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 8 . 932 . 1 1 6 PRO HG3 H 6.138 -6.128 -6.573 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 8 . 933 . 1 1 6 PRO N N 5.368 -3.004 -6.337 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 8 . 934 . 1 1 6 PRO O O 7.604 -2.410 -3.546 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 8 . 935 . 1 1 7 TRP C C 8.593 0.402 -5.238 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 8 . 936 . 1 1 7 TRP CA C 8.920 -1.050 -5.569 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 8 . 937 . 1 1 7 TRP CB C 9.756 -1.119 -6.848 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 8 . 938 . 1 1 7 TRP CD1 C 9.323 1.016 -8.199 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 8 . 939 . 1 1 7 TRP CD2 C 8.360 -0.821 -9.045 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 8 . 940 . 1 1 7 TRP CE2 C 8.047 0.274 -9.874 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 8 . 941 . 1 1 7 TRP CE3 C 7.863 -2.083 -9.380 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 8 . 942 . 1 1 7 TRP CG C 9.178 -0.324 -7.980 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 8 . 943 . 1 1 7 TRP CH2 C 6.786 -1.106 -11.319 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 8 . 944 . 1 1 7 TRP CZ2 C 7.259 0.142 -11.015 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 8 . 945 . 1 1 7 TRP CZ3 C 7.082 -2.213 -10.512 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 8 . 946 . 1 1 7 TRP H H 7.286 -1.911 -6.604 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 8 . 947 . 1 1 7 TRP HA H 9.489 -1.473 -4.755 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 8 . 948 . 1 1 7 TRP HB2 H 10.746 -0.737 -6.645 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 8 . 949 . 1 1 7 TRP HB3 H 9.830 -2.149 -7.166 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 8 . 950 . 1 1 7 TRP HD1 H 9.890 1.678 -7.562 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 8 . 951 . 1 1 7 TRP HE1 H 8.600 2.290 -9.704 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 8 . 952 . 1 1 7 TRP HE3 H 8.080 -2.948 -8.770 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 8 . 953 . 1 1 7 TRP HH2 H 6.172 -1.254 -12.193 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 8 . 954 . 1 1 7 TRP HZ2 H 7.023 0.985 -11.647 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 8 . 955 . 1 1 7 TRP HZ3 H 6.689 -3.181 -10.786 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 8 . 956 . 1 1 7 TRP N N 7.701 -1.837 -5.719 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 8 . 957 . 1 1 7 TRP NE1 N 8.645 1.382 -9.337 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 8 . 958 . 1 1 7 TRP O O 9.491 1.231 -5.081 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 8 . 959 . 1 1 8 CYS C C 7.566 2.590 -3.578 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 8 . 960 . 1 1 8 CYS CA C 6.858 2.057 -4.820 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 8 . 961 . 1 1 8 CYS CB C 5.343 2.081 -4.608 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 8 . 962 . 1 1 8 CYS H H 6.634 0.000 -5.269 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 8 . 963 . 1 1 8 CYS HA H 7.105 2.690 -5.659 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 8 . 964 . 1 1 8 CYS HB2 H 4.957 1.078 -4.714 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 8 . 965 . 1 1 8 CYS HB3 H 5.133 2.438 -3.610 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 8 . 966 . 1 1 8 CYS N N 7.304 0.705 -5.133 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 8 . 967 . 1 1 8 CYS O O 7.936 1.825 -2.687 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 8 . 968 . 1 1 8 CYS SG S 4.444 3.146 -5.781 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 9 . 969 . 1 1 1 GLY C C 0.074 0.993 -3.011 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 9 . 970 . 1 1 1 GLY CA C 0.060 0.716 -1.521 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 9 . 971 . 1 1 1 GLY H1 H -1.409 0.707 0.004 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 9 . 972 . 1 1 1 GLY HA2 H 0.648 1.470 -1.020 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 9 . 973 . 1 1 1 GLY HA3 H 0.506 -0.252 -1.342 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 9 . 974 . 1 1 1 GLY N N -1.281 0.723 -0.968 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 9 . 975 . 1 1 1 GLY O O -0.576 1.926 -3.483 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 9 . 976 . 1 1 2 CYS C C 0.764 -0.999 -5.911 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 9 . 977 . 1 1 2 CYS CA C 0.916 0.343 -5.201 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 9 . 978 . 1 1 2 CYS CB C 2.256 0.981 -5.573 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 9 . 979 . 1 1 2 CYS H H 1.314 -0.546 -3.321 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 9 . 980 . 1 1 2 CYS HA H 0.117 0.996 -5.517 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 9 . 981 . 1 1 2 CYS HB2 H 3.056 0.317 -5.278 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 9 . 982 . 1 1 2 CYS HB3 H 2.293 1.125 -6.643 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 9 . 983 . 1 1 2 CYS N N 0.818 0.181 -3.755 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 9 . 984 . 1 1 2 CYS O O 1.752 -1.658 -6.234 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 9 . 985 . 1 1 2 CYS SG S 2.557 2.595 -4.784 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 9 . 986 . 1 1 3 VAL C C -0.095 -2.716 -8.191 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 9 . 987 . 1 1 3 VAL CA C -0.764 -2.660 -6.822 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 9 . 988 . 1 1 3 VAL CB C -2.279 -2.877 -6.995 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 9 . 989 . 1 1 3 VAL CG1 C -2.920 -3.252 -5.668 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 9 . 990 . 1 1 3 VAL CG2 C -2.932 -1.633 -7.579 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 9 . 991 . 1 1 3 VAL H H -1.228 -0.828 -5.868 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 9 . 992 . 1 1 3 VAL HA H -0.375 -3.459 -6.209 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 9 . 993 . 1 1 3 VAL HB H -2.429 -3.694 -7.685 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 9 . 994 . 1 1 3 VAL HG11 H -3.795 -3.858 -5.849 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 9 . 995 . 1 1 3 VAL HG12 H -2.213 -3.808 -5.070 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 9 . 996 . 1 1 3 VAL HG13 H -3.209 -2.354 -5.141 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 9 . 997 . 1 1 3 VAL HG21 H -3.555 -1.168 -6.829 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 9 . 998 . 1 1 3 VAL HG22 H -2.167 -0.937 -7.892 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 9 . 999 . 1 1 3 VAL HG23 H -3.537 -1.908 -8.430 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 9 . 1000 . 1 1 3 VAL N N -0.482 -1.397 -6.150 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 9 . 1001 . 1 1 3 VAL O O -0.386 -1.874 -9.039 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 9 . 1002 . 1 1 4 . C C 2.894 -3.286 -9.504 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 9 . 1003 . 1 1 4 . CA C 1.477 -3.847 -9.639 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 9 . 1004 . 1 1 4 . CB C 1.435 -5.304 -10.104 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 9 . 1005 . 1 1 4 . CD1 C 3.344 -6.925 -9.809 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 9 . 1006 . 1 1 4 . CD2 C 1.089 -7.403 -8.749 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 9 . 1007 . 1 1 4 . CG C 2.090 -6.325 -9.171 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 9 . 1008 . 1 1 4 . H H 1.010 -4.376 -7.679 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 9 . 1009 . 1 1 4 . HA H 0.941 -3.256 -10.382 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 9 . 1010 . 1 1 4 . HB2 H 1.919 -5.369 -11.078 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 9 . 1011 . 1 1 4 . HB3 H 0.392 -5.589 -10.246 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 9 . 1012 . 1 1 4 . HD11 H 3.589 -7.864 -9.314 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 9 . 1013 . 1 1 4 . HD12 H 4.176 -6.228 -9.699 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 9 . 1014 . 1 1 4 . HD13 H 3.161 -7.108 -10.867 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 9 . 1015 . 1 1 4 . HD21 H 1.623 -8.328 -8.531 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 9 . 1016 . 1 1 4 . HD22 H 0.379 -7.576 -9.558 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 9 . 1017 . 1 1 4 . HD23 H 0.554 -7.074 -7.859 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 9 . 1018 . 1 1 4 . HG H 2.405 -5.807 -8.265 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 9 . 1019 . 1 1 4 . N N 0.778 -3.695 -8.374 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 9 . 1020 . 1 1 4 . O O 3.842 -3.745 -10.143 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 9 . 1021 . 1 1 5 TYR C C 4.792 -1.893 -6.992 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 9 . 1022 . 1 1 5 TYR CA C 4.305 -1.630 -8.414 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 9 . 1023 . 1 1 5 TYR CB C 4.196 -0.124 -8.657 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 9 . 1024 . 1 1 5 TYR CD1 C 3.547 -0.495 -11.068 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 9 . 1025 . 1 1 5 TYR CD2 C 2.517 1.303 -9.890 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 9 . 1026 . 1 1 5 TYR CE1 C 2.826 -0.171 -12.202 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 9 . 1027 . 1 1 5 TYR CE2 C 1.792 1.634 -11.019 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 9 . 1028 . 1 1 5 TYR CG C 3.405 0.235 -9.894 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 9 . 1029 . 1 1 5 TYR CZ C 1.950 0.894 -12.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 9 . 1030 . 1 1 5 TYR H H 2.228 -1.953 -8.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 9 . 1031 . 1 1 5 TYR HA H 5.019 -2.046 -9.110 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 9 . 1032 . 1 1 5 TYR HB2 H 3.712 0.337 -7.810 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 9 . 1033 . 1 1 5 TYR HB3 H 5.189 0.289 -8.766 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 9 . 1034 . 1 1 5 TYR HD1 H 4.234 -1.329 -11.089 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 9 . 1035 . 1 1 5 TYR HD2 H 2.396 1.881 -8.985 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 9 . 1036 . 1 1 5 TYR HE1 H 2.950 -0.750 -13.105 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 9 . 1037 . 1 1 5 TYR HE2 H 1.106 2.468 -10.996 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 9 . 1038 . 1 1 5 TYR HH H 0.465 0.645 -13.367 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 9 . 1039 . 1 1 5 TYR N N 3.019 -2.275 -8.652 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 9 . 1040 . 1 1 5 TYR O O 4.716 -1.035 -6.113 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 9 . 1041 . 1 1 5 TYR OH O 1.230 1.220 -13.299 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 9 . 1042 . 1 1 6 PRO C C 7.108 -2.793 -5.080 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 9 . 1043 . 1 1 6 PRO CA C 5.817 -3.517 -5.448 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 9 . 1044 . 1 1 6 PRO CB C 6.074 -5.016 -5.616 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 9 . 1045 . 1 1 6 PRO CD C 5.428 -4.183 -7.762 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 9 . 1046 . 1 1 6 PRO CG C 6.298 -5.201 -7.077 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 9 . 1047 . 1 1 6 PRO HA H 5.084 -3.360 -4.671 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 9 . 1048 . 1 1 6 PRO HB2 H 6.945 -5.302 -5.042 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 9 . 1049 . 1 1 6 PRO HB3 H 5.214 -5.573 -5.276 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 9 . 1050 . 1 1 6 PRO HD2 H 5.907 -3.820 -8.659 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 9 . 1051 . 1 1 6 PRO HD3 H 4.462 -4.607 -7.992 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 9 . 1052 . 1 1 6 PRO HG2 H 7.337 -5.027 -7.314 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 9 . 1053 . 1 1 6 PRO HG3 H 6.008 -6.199 -7.369 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 9 . 1054 . 1 1 6 PRO N N 5.306 -3.110 -6.760 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 9 . 1055 . 1 1 6 PRO O O 7.584 -2.891 -3.948 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 9 . 1056 . 1 1 7 TRP C C 8.613 0.081 -5.313 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 9 . 1057 . 1 1 7 TRP CA C 8.906 -1.329 -5.816 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 9 . 1058 . 1 1 7 TRP CB C 9.727 -1.263 -7.105 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 9 . 1059 . 1 1 7 TRP CD1 C 9.325 1.023 -8.190 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 9 . 1060 . 1 1 7 TRP CD2 C 8.314 -0.682 -9.233 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 9 . 1061 . 1 1 7 TRP CE2 C 8.015 0.509 -9.924 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 9 . 1062 . 1 1 7 TRP CE3 C 7.787 -1.886 -9.707 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 9 . 1063 . 1 1 7 TRP CG C 9.153 -0.330 -8.128 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 9 . 1064 . 1 1 7 TRP CH2 C 6.710 -0.666 -11.504 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 9 . 1065 . 1 1 7 TRP CZ2 C 7.213 0.527 -11.062 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 9 . 1066 . 1 1 7 TRP CZ3 C 6.990 -1.866 -10.836 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 9 . 1067 . 1 1 7 TRP H H 7.243 -2.031 -6.922 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 9 . 1068 . 1 1 7 TRP HA H 9.475 -1.856 -5.064 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 9 . 1069 . 1 1 7 TRP HB2 H 10.726 -0.928 -6.872 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 9 . 1070 . 1 1 7 TRP HB3 H 9.775 -2.250 -7.542 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 9 . 1071 . 1 1 7 TRP HD1 H 9.912 1.594 -7.488 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 9 . 1072 . 1 1 7 TRP HE1 H 8.613 2.480 -9.526 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 9 . 1073 . 1 1 7 TRP HE3 H 7.991 -2.821 -9.206 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 9 . 1074 . 1 1 7 TRP HH2 H 6.083 -0.698 -12.382 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 9 . 1075 . 1 1 7 TRP HZ2 H 6.988 1.444 -11.588 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 9 . 1076 . 1 1 7 TRP HZ3 H 6.574 -2.787 -11.217 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 9 . 1077 . 1 1 7 TRP N N 7.670 -2.069 -6.040 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 9 . 1078 . 1 1 7 TRP NE1 N 8.643 1.534 -9.268 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 9 . 1079 . 1 1 7 TRP O O 9.529 0.867 -5.072 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 9 . 1080 . 1 1 8 CYS C C 7.649 2.078 -3.395 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 9 . 1081 . 1 1 8 CYS CA C 6.918 1.709 -4.683 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 9 . 1082 . 1 1 8 CYS CB C 5.406 1.737 -4.450 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 9 . 1083 . 1 1 8 CYS H H 6.646 -0.276 -5.366 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 9 . 1084 . 1 1 8 CYS HA H 7.169 2.431 -5.445 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 9 . 1085 . 1 1 8 CYS HB2 H 4.996 0.764 -4.677 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 9 . 1086 . 1 1 8 CYS HB3 H 5.213 1.970 -3.413 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 9 . 1087 . 1 1 8 CYS N N 7.331 0.394 -5.157 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 9 . 1088 . 1 1 8 CYS O O 8.092 3.214 -3.226 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 9 . 1089 . 1 1 8 CYS SG S 4.519 2.961 -5.467 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 1
. 10 . 1090 . 1 1 1 GLY C C -0.031 0.712 -3.094 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6d 1
. 10 . 1091 . 1 1 1 GLY CA C 0.167 0.586 -1.597 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6d 1
. 10 . 1092 . 1 1 1 GLY H1 H -1.919 0.286 -1.390 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6d 1
. 10 . 1093 . 1 1 1 GLY HA2 H 0.610 1.498 -1.225 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6d 1
. 10 . 1094 . 1 1 1 GLY HA3 H 0.841 -0.235 -1.402 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6d 1
. 10 . 1095 . 1 1 1 GLY N N -1.078 0.347 -0.890 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6d 1
. 10 . 1096 . 1 1 1 GLY O O -1.085 1.153 -3.554 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6d 1
. 10 . 1097 . 1 1 2 CYS C C 0.873 -0.997 -5.927 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6d 1
. 10 . 1098 . 1 1 2 CYS CA C 0.919 0.399 -5.313 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6d 1
. 10 . 1099 . 1 1 2 CYS CB C 2.123 1.169 -5.860 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6d 1
. 10 . 1100 . 1 1 2 CYS H H 1.799 -0.017 -3.434 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6d 1
. 10 . 1101 . 1 1 2 CYS HA H 0.015 0.925 -5.579 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6d 1
. 10 . 1102 . 1 1 2 CYS HB2 H 3.005 0.552 -5.773 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6d 1
. 10 . 1103 . 1 1 2 CYS HB3 H 1.951 1.398 -6.902 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6d 1
. 10 . 1104 . 1 1 2 CYS N N 0.985 0.326 -3.858 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6d 1
. 10 . 1105 . 1 1 2 CYS O O 1.910 -1.587 -6.233 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6d 1
. 10 . 1106 . 1 1 2 CYS SG S 2.457 2.738 -4.996 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6d 1
. 10 . 1107 . 1 1 3 VAL C C 0.194 -2.964 -8.024 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6d 1
. 10 . 1108 . 1 1 3 VAL CA C -0.518 -2.847 -6.681 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6d 1
. 10 . 1109 . 1 1 3 VAL CB C -2.010 -3.176 -6.873 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6d 1
. 10 . 1110 . 1 1 3 VAL CG1 C -2.692 -3.369 -5.527 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6d 1
. 10 . 1111 . 1 1 3 VAL CG2 C -2.697 -2.081 -7.676 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6d 1
. 10 . 1112 . 1 1 3 VAL H H -1.124 -1.003 -5.838 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6d 1
. 10 . 1113 . 1 1 3 VAL HA H -0.097 -3.570 -5.997 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6d 1
. 10 . 1114 . 1 1 3 VAL HB H -2.086 -4.100 -7.426 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6d 1
. 10 . 1115 . 1 1 3 VAL HG11 H -3.397 -4.184 -5.595 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6d 1
. 10 . 1116 . 1 1 3 VAL HG12 H -1.950 -3.594 -4.776 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6d 1
. 10 . 1117 . 1 1 3 VAL HG13 H -3.215 -2.463 -5.256 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6d 1
. 10 . 1118 . 1 1 3 VAL HG21 H -3.767 -2.214 -7.622 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6d 1
. 10 . 1119 . 1 1 3 VAL HG22 H -2.433 -1.116 -7.269 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6d 1
. 10 . 1120 . 1 1 3 VAL HG23 H -2.378 -2.136 -8.706 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6d 1
. 10 . 1121 . 1 1 3 VAL N N -0.336 -1.521 -6.103 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6d 1
. 10 . 1122 . 1 1 3 VAL O O -0.099 -2.186 -8.930 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6d 1
. 10 . 1123 . 1 1 4 . C C 3.232 -3.496 -9.222 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6d 1
. 10 . 1124 . 1 1 4 . CA C 1.845 -4.127 -9.355 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6d 1
. 10 . 1125 . 1 1 4 . CB C 1.878 -5.613 -9.720 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6d 1
. 10 . 1126 . 1 1 4 . CD1 C -0.631 -5.825 -9.869 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6d 1
. 10 . 1127 . 1 1 4 . CD2 C 0.864 -7.612 -10.875 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6d 1
. 10 . 1128 . 1 1 4 . CG C 0.703 -6.124 -10.557 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6d 1
. 10 . 1129 . 1 1 4 . H H 1.336 -4.551 -7.380 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6d 1
. 10 . 1130 . 1 1 4 . HA H 1.305 -3.612 -10.150 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6d 1
. 10 . 1131 . 1 1 4 . HB2 H 1.920 -6.192 -8.797 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6d 1
. 10 . 1132 . 1 1 4 . HB3 H 2.800 -5.812 -10.264 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6d 1
. 10 . 1133 . 1 1 4 . HD11 H -0.782 -4.747 -9.823 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6d 1
. 10 . 1134 . 1 1 4 . HD12 H -0.619 -6.235 -8.859 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6d 1
. 10 . 1135 . 1 1 4 . HD13 H -1.442 -6.282 -10.437 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6d 1
. 10 . 1136 . 1 1 4 . HD21 H 1.415 -7.726 -11.808 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6d 1
. 10 . 1137 . 1 1 4 . HD22 H -0.120 -8.070 -10.976 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6d 1
. 10 . 1138 . 1 1 4 . HD23 H 1.410 -8.099 -10.068 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6d 1
. 10 . 1139 . 1 1 4 . HG H 0.702 -5.590 -11.507 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6d 1
. 10 . 1140 . 1 1 4 . N N 1.104 -3.922 -8.122 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6d 1
. 10 . 1141 . 1 1 4 . O O 4.223 -3.975 -9.774 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6d 1
. 10 . 1142 . 1 1 5 TYR C C 4.966 -1.784 -6.792 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6d 1
. 10 . 1143 . 1 1 5 TYR CA C 4.529 -1.681 -8.250 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6d 1
. 10 . 1144 . 1 1 5 TYR CB C 4.373 -0.212 -8.644 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6d 1
. 10 . 1145 . 1 1 5 TYR CD1 C 3.836 -0.842 -11.030 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6d 1
. 10 . 1146 . 1 1 5 TYR CD2 C 2.688 1.014 -10.071 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6d 1
. 10 . 1147 . 1 1 5 TYR CE1 C 3.150 -0.660 -12.215 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6d 1
. 10 . 1148 . 1 1 5 TYR CE2 C 1.996 1.203 -11.252 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6d 1
. 10 . 1149 . 1 1 5 TYR CG C 3.619 -0.009 -9.939 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6d 1
. 10 . 1150 . 1 1 5 TYR CZ C 2.231 0.363 -12.321 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6d 1
. 10 . 1151 . 1 1 5 TYR H H 2.457 -2.067 -8.058 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6d 1
. 10 . 1152 . 1 1 5 TYR HA H 5.287 -2.132 -8.874 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6d 1
. 10 . 1153 . 1 1 5 TYR HB2 H 3.837 0.308 -7.865 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6d 1
. 10 . 1154 . 1 1 5 TYR HB3 H 5.352 0.230 -8.758 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6d 1
. 10 . 1155 . 1 1 5 TYR HD1 H 4.556 -1.643 -10.943 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6d 1
. 10 . 1156 . 1 1 5 TYR HD2 H 2.506 1.670 -9.232 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6d 1
. 10 . 1157 . 1 1 5 TYR HE1 H 3.333 -1.317 -13.052 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6d 1
. 10 . 1158 . 1 1 5 TYR HE2 H 1.277 2.004 -11.336 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6d 1
. 10 . 1159 . 1 1 5 TYR HH H 1.746 -0.172 -14.102 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6d 1
. 10 . 1160 . 1 1 5 TYR N N 3.281 -2.401 -8.472 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6d 1
. 10 . 1161 . 1 1 5 TYR O O 4.812 -0.851 -6.003 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6d 1
. 10 . 1162 . 1 1 5 TYR OH O 1.544 0.547 -13.499 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6d 1
. 10 . 1163 . 1 1 6 PRO C C 7.237 -2.382 -4.713 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6d 1
. 10 . 1164 . 1 1 6 PRO CA C 5.998 -3.201 -5.059 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6d 1
. 10 . 1165 . 1 1 6 PRO CB C 6.330 -4.695 -5.072 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6d 1
. 10 . 1166 . 1 1 6 PRO CD C 5.740 -4.102 -7.311 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6d 1
. 10 . 1167 . 1 1 6 PRO CG C 6.626 -5.005 -6.498 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6d 1
. 10 . 1168 . 1 1 6 PRO HA H 5.225 -3.008 -4.330 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6d 1
. 10 . 1169 . 1 1 6 PRO HB2 H 7.187 -4.881 -4.440 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6d 1
. 10 . 1170 . 1 1 6 PRO HB3 H 5.483 -5.259 -4.713 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6d 1
. 10 . 1171 . 1 1 6 PRO HD2 H 6.240 -3.802 -8.220 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6d 1
. 10 . 1172 . 1 1 6 PRO HD3 H 4.805 -4.593 -7.536 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6d 1
. 10 . 1173 . 1 1 6 PRO HG2 H 7.664 -4.803 -6.711 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6d 1
. 10 . 1174 . 1 1 6 PRO HG3 H 6.395 -6.040 -6.704 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6d 1
. 10 . 1175 . 1 1 6 PRO N N 5.525 -2.947 -6.424 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6d 1
. 10 . 1176 . 1 1 6 PRO O O 7.667 -2.348 -3.560 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6d 1
. 10 . 1177 . 1 1 7 TRP C C 8.616 0.528 -5.164 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6d 1
. 10 . 1178 . 1 1 7 TRP CA C 8.995 -0.905 -5.517 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6d 1
. 10 . 1179 . 1 1 7 TRP CB C 9.867 -0.921 -6.774 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6d 1
. 10 . 1180 . 1 1 7 TRP CD1 C 9.398 1.227 -8.093 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6d 1
. 10 . 1181 . 1 1 7 TRP CD2 C 8.520 -0.622 -9.002 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6d 1
. 10 . 1182 . 1 1 7 TRP CE2 C 8.193 0.479 -9.818 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6d 1
. 10 . 1183 . 1 1 7 TRP CE3 C 8.076 -1.893 -9.376 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6d 1
. 10 . 1184 . 1 1 7 TRP CG C 9.292 -0.122 -7.905 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6d 1
. 10 . 1185 . 1 1 7 TRP CH2 C 7.019 -0.911 -11.324 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6d 1
. 10 . 1186 . 1 1 7 TRP CZ2 C 7.441 0.345 -10.982 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6d 1
. 10 . 1187 . 1 1 7 TRP CZ3 C 7.329 -2.024 -10.532 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6d 1
. 10 . 1188 . 1 1 7 TRP H H 7.415 -1.791 -6.614 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6d 1
. 10 . 1189 . 1 1 7 TRP HA H 9.555 -1.330 -4.697 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6d 1
. 10 . 1190 . 1 1 7 TRP HB2 H 10.837 -0.512 -6.537 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6d 1
. 10 . 1191 . 1 1 7 TRP HB3 H 9.982 -1.941 -7.111 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6d 1
. 10 . 1192 . 1 1 7 TRP HD1 H 9.925 1.893 -7.428 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6d 1
. 10 . 1193 . 1 1 7 TRP HE1 H 8.673 2.508 -9.591 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6d 1
. 10 . 1194 . 1 1 7 TRP HE3 H 8.305 -2.763 -8.779 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6d 1
. 10 . 1195 . 1 1 7 TRP HH2 H 6.433 -1.060 -12.218 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6d 1
. 10 . 1196 . 1 1 7 TRP HZ2 H 7.194 1.193 -11.603 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6d 1
. 10 . 1197 . 1 1 7 TRP HZ3 H 6.976 -2.999 -10.837 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6d 1
. 10 . 1198 . 1 1 7 TRP N N 7.805 -1.725 -5.717 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6d 1
. 10 . 1199 . 1 1 7 TRP NE1 N 8.739 1.595 -9.241 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6d 1
. 10 . 1200 . 1 1 7 TRP O O 9.484 1.381 -4.973 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6d 1
. 10 . 1201 . 1 1 8 CYS C C 7.489 2.648 -3.481 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6d 1
. 10 . 1202 . 1 1 8 CYS CA C 6.821 2.119 -4.747 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6d 1
. 10 . 1203 . 1 1 8 CYS CB C 5.303 2.091 -4.563 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6d 1
. 10 . 1204 . 1 1 8 CYS H H 6.672 0.066 -5.241 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6d 1
. 10 . 1205 . 1 1 8 CYS HA H 7.064 2.776 -5.568 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6d 1
. 10 . 1206 . 1 1 8 CYS HB2 H 4.946 1.085 -4.730 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6d 1
. 10 . 1207 . 1 1 8 CYS HB3 H 5.065 2.388 -3.553 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6d 1
. 10 . 1208 . 1 1 8 CYS N N 7.316 0.788 -5.078 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6d 1
. 10 . 1209 . 1 1 8 CYS O O 7.963 1.875 -2.648 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6d 1
. 10 . 1210 . 1 1 8 CYS SG S 4.396 3.193 -5.695 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6d 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_2m6d
_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 2m6d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 3 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 4 distance "general distance" simple 4 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 5 distance NOE simple 27 rr_2m6d 1
1 2m6d.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2m6d 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_2m6d
_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: '2m6d'" . . . . distance "general distance" . 4 rr_2m6d 1
2 "From CCPN project: '2m6d'" . . . . distance "general distance" . 20 rr_2m6d 1
3 "From CCPN project: '2m6d'" . . . . distance "hydrogen bond" . 3 rr_2m6d 1
4 "From CCPN project: '2m6d'" . . . . "dihedral angle" "Not applicable" . 1 rr_2m6d 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 2m6d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 3 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 3 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 4 distance "general distance" simple 4 rr_2m6d 1
1 2m6d.mr . . DYANA/DIANA 5 distance NOE simple 27 rr_2m6d 1
1 2m6d.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2m6d 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_2m6d
_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_2m6d 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_2m6d 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_2m6d 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_2m6d 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_2m6d 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_2m6d
_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_2m6d 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 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_2m6d 2
2 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HA H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 3 VAL HA . . . 3 VAL H . . . . . 3 VAL HA . . rr_2m6d 2
3 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL HB H . . . . . . . 3.5 . . . . . A . 3 VAL HA . . A . 3 VAL HB . . . 3 VAL HA . . . . . 3 VAL HB . . rr_2m6d 2
4 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_2m6d 2
4 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_2m6d 2
5 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_2m6d 2
6 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_2m6d 2
6 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_2m6d 2
7 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_2m6d 2
7 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_2m6d 2
8 1 OR . 1 1 7 7 TRP H H . . . 1 1 5 5 TYR HB2 H . . . . . . . 5.0 . . . . . A . 7 TRP H . . A . 5 TYR HB2 . . . 7 TRP H . . . . . 5 TYR QB . . rr_2m6d 2
8 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 7 7 TRP H H . . . . . . . 5.0 . . . . . A . 5 TYR HB3 . . A . 7 TRP H . . . 5 TYR QB . . . . . 7 TRP H . . rr_2m6d 2
9 1 OR . 1 1 7 7 TRP HE3 H . . . 1 1 6 6 PRO HB2 H . . . . . . . 5.0 . . . . . A . 7 TRP HE3 . . A . 6 PRO HB2 . . . 7 TRP HE3 . . . . . 6 PRO QB . . rr_2m6d 2
9 2 OR . 1 1 7 7 TRP HE3 H . . . 1 1 6 6 PRO HB3 H . . . . . . . 5.0 . . . . . A . 7 TRP HE3 . . A . 6 PRO HB3 . . . 7 TRP HE3 . . . . . 6 PRO QB . . rr_2m6d 2
10 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HD2 H . . . . . . . 3.0 . . . . . A . 7 TRP H . . A . 6 PRO HD2 . . . 7 TRP H . . . . . 6 PRO QD . . rr_2m6d 2
10 2 OR . 1 1 6 6 PRO HD3 H . . . 1 1 7 7 TRP H H . . . . . . . 3.0 . . . . . A . 6 PRO HD3 . . A . 7 TRP H . . . 6 PRO QD . . . . . 7 TRP H . . rr_2m6d 2
11 1 OR . 1 1 7 7 TRP HE3 H . . . 1 1 6 6 PRO HD2 H . . . . . . . 3.5 . . . . . A . 7 TRP HE3 . . A . 6 PRO HD2 . . . 7 TRP HE3 . . . . . 6 PRO QD . . rr_2m6d 2
11 2 OR . 1 1 6 6 PRO HD3 H . . . 1 1 7 7 TRP HE3 H . . . . . . . 3.5 . . . . . A . 6 PRO HD3 . . A . 7 TRP HE3 . . . 6 PRO QD . . . . . 7 TRP HE3 . . rr_2m6d 2
12 1 OR . 1 1 7 7 TRP HE3 H . . . 1 1 6 6 PRO HG2 H . . . . . . . 5.0 . . . . . A . 7 TRP HE3 . . A . 6 PRO HG2 . . . 7 TRP HE3 . . . . . 6 PRO QG . . rr_2m6d 2
12 2 OR . 1 1 7 7 TRP HE3 H . . . 1 1 6 6 PRO HG3 H . . . . . . . 5.0 . . . . . A . 7 TRP HE3 . . A . 6 PRO HG3 . . . 7 TRP HE3 . . . . . 6 PRO QG . . rr_2m6d 2
13 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG2 H . . . . . . . 5.0 . . . . . A . 7 TRP H . . A . 6 PRO HG2 . . . 7 TRP H . . . . . 6 PRO QG . . rr_2m6d 2
13 2 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG3 H . . . . . . . 5.0 . . . . . A . 7 TRP H . . A . 6 PRO HG3 . . . 7 TRP H . . . . . 6 PRO QG . . rr_2m6d 2
14 1 . . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HA H . . . . . . . 3.5 . . . . . A . 7 TRP H . . A . 6 PRO HA . . . 7 TRP H . . . . . 6 PRO HA . . rr_2m6d 2
15 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HB2 H . . . . . . . 5.0 . . . . . A . 7 TRP H . . A . 6 PRO HB2 . . . 7 TRP H . . . . . 6 PRO QB . . rr_2m6d 2
15 2 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HB3 H . . . . . . . 5.0 . . . . . A . 7 TRP H . . A . 6 PRO HB3 . . . 7 TRP H . . . . . 6 PRO QB . . rr_2m6d 2
16 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HE3 H . . . . . . . 2.5 . . . . . A . 7 TRP H . . A . 7 TRP HE3 . . . 7 TRP H . . . . . 7 TRP HE3 . . rr_2m6d 2
17 1 OR . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HB2 H . . . . . . . 3.5 . . . . . A . 7 TRP HD1 . . A . 7 TRP HB2 . . . 7 TRP HD1 . . . . . 7 TRP QB . . rr_2m6d 2
17 2 OR . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HB3 H . . . . . . . 3.5 . . . . . A . 7 TRP HD1 . . A . 7 TRP HB3 . . . 7 TRP HD1 . . . . . 7 TRP QB . . rr_2m6d 2
18 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 8 8 CYS HA H . . . . . . . 3.5 . . . . . A . 7 TRP HD1 . . A . 8 CYS HA . . . 7 TRP HD1 . . . . . 8 CYSS HA . . rr_2m6d 2
19 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 CYS H H . . . . . . . 3.0 . . . . . A . 7 TRP H . . A . 8 CYS H . . . 7 TRP H . . . . . 8 CYSS H . . rr_2m6d 2
20 1 . . 1 1 8 8 CYS HA H . . . 1 1 8 8 CYS H H . . . . . . . 3.0 . . . . . A . 8 CYS HA . . A . 8 CYS H . . . 8 CYSS HA . . . . . 8 CYSS H . . rr_2m6d 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 6 1 "Not handling restraint 6, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
2 5 7 1 "Not handling restraint 7, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
3 5 8 1 "Not handling restraint 8, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6d 2
4 5 9 1 "Not handling restraint 9, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
5 5 9 1 "Not handling restraint 9, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
6 5 10 1 "Not handling restraint 10, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_2m6d 2
7 5 11 1 "Not handling restraint 11, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
8 5 12 1 "Not handling restraint 12, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6d 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_2m6d
_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_2m6d 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_2m6d 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_2m6d 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_2m6d 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_2m6d
_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_2m6d 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_2m6d 1
2 1 . . . rr_2m6d 1
3 1 . . . rr_2m6d 1
4 1 . . . rr_2m6d 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_2m6d 1
1 1 . 2 . 1 1 8 8 CYS SG S . . . . 8 CYSS SG rr_2m6d 1
2 1 . 1 . 1 1 2 2 CYS SG S . . . . 2 CYSS SG rr_2m6d 1
2 1 . 2 . 1 1 8 8 CYS CB C . . . . 8 CYSS CB rr_2m6d 1
3 1 . 1 . 1 1 2 2 CYS CB C . . . . 2 CYSS CB rr_2m6d 1
3 1 . 2 . 1 1 8 8 CYS SG S . . . . 8 CYSS SG rr_2m6d 1
4 1 . 1 . 1 1 2 2 CYS CB C . . . . 2 CYSS CB rr_2m6d 1
4 1 . 2 . 1 1 8 8 CYS CB C . . . . 8 CYSS CB rr_2m6d 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_2m6d 1
2 1 . . . . . . . . 3.1 rr_2m6d 1
3 1 . . . . . . . . 3.1 rr_2m6d 1
4 1 . . . . . . . . 4.5 rr_2m6d 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_2m6d
_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_2m6d 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2m6d 2
2 1 . . . rr_2m6d 2
3 1 . . . rr_2m6d 2
4 1 2 . OR rr_2m6d 2
4 2 . 3 . rr_2m6d 2
4 3 . . . rr_2m6d 2
5 1 . . . rr_2m6d 2
6 1 2 . OR rr_2m6d 2
6 2 . 3 . rr_2m6d 2
6 3 . . . rr_2m6d 2
7 1 2 . OR rr_2m6d 2
7 2 . 3 . rr_2m6d 2
7 3 . . . rr_2m6d 2
8 1 2 . OR rr_2m6d 2
8 2 . 3 . rr_2m6d 2
8 3 . . . rr_2m6d 2
9 1 2 . OR rr_2m6d 2
9 2 . 3 . rr_2m6d 2
9 3 . . . rr_2m6d 2
10 1 2 . OR rr_2m6d 2
10 2 . 3 . rr_2m6d 2
10 3 . . . rr_2m6d 2
11 1 2 . OR rr_2m6d 2
11 2 . 3 . rr_2m6d 2
11 3 . . . rr_2m6d 2
12 1 2 . OR rr_2m6d 2
12 2 . 3 . rr_2m6d 2
12 3 . . . rr_2m6d 2
13 1 2 . OR rr_2m6d 2
13 2 . 3 . rr_2m6d 2
13 3 . . . rr_2m6d 2
14 1 . . . rr_2m6d 2
15 1 2 . OR rr_2m6d 2
15 2 . 3 . rr_2m6d 2
15 3 . . . rr_2m6d 2
16 1 . . . rr_2m6d 2
17 1 2 . OR rr_2m6d 2
17 2 . 3 . rr_2m6d 2
17 3 . . . rr_2m6d 2
18 1 . . . rr_2m6d 2
19 1 . . . rr_2m6d 2
20 1 . . . rr_2m6d 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_2m6d 2
1 1 . 2 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6d 2
2 1 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6d 2
2 1 . 2 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6d 2
3 1 . 1 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6d 2
3 1 . 2 . 1 1 3 3 VAL HB H . . . . 3 VAL HB rr_2m6d 2
4 2 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6d 2
4 2 . 2 . 1 1 3 3 VAL MG1 H . . . . 3 VAL QQG rr_2m6d 2
4 3 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6d 2
4 3 . 2 . 1 1 3 3 VAL MG2 H . . . . 3 VAL QQG rr_2m6d 2
5 1 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6d 2
5 1 . 2 . 1 1 3 3 VAL HB H . . . . 3 VAL HB rr_2m6d 2
6 2 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6d 2
6 2 . 2 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6d 2
6 3 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6d 2
6 3 . 2 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6d 2
7 2 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6d 2
7 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 6 PRO QD rr_2m6d 2
7 3 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6d 2
7 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 6 PRO QD rr_2m6d 2
8 2 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
8 2 . 2 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6d 2
8 3 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
8 3 . 2 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6d 2
9 2 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6d 2
9 2 . 2 . 1 1 6 6 PRO HB2 H . . . . 6 PRO QB rr_2m6d 2
9 3 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6d 2
9 3 . 2 . 1 1 6 6 PRO HB3 H . . . . 6 PRO QB rr_2m6d 2
10 2 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
10 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 6 PRO QD rr_2m6d 2
10 3 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
10 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 6 PRO QD rr_2m6d 2
11 2 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6d 2
11 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 6 PRO QD rr_2m6d 2
11 3 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6d 2
11 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 6 PRO QD rr_2m6d 2
12 2 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6d 2
12 2 . 2 . 1 1 6 6 PRO HG2 H . . . . 6 PRO QG rr_2m6d 2
12 3 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6d 2
12 3 . 2 . 1 1 6 6 PRO HG3 H . . . . 6 PRO QG rr_2m6d 2
13 2 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
13 2 . 2 . 1 1 6 6 PRO HG2 H . . . . 6 PRO QG rr_2m6d 2
13 3 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
13 3 . 2 . 1 1 6 6 PRO HG3 H . . . . 6 PRO QG rr_2m6d 2
14 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
14 1 . 2 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6d 2
15 2 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
15 2 . 2 . 1 1 6 6 PRO HB2 H . . . . 6 PRO QB rr_2m6d 2
15 3 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
15 3 . 2 . 1 1 6 6 PRO HB3 H . . . . 6 PRO QB rr_2m6d 2
16 1 . 1 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6d 2
16 1 . 2 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
17 2 . 1 . 1 1 7 7 TRP HD1 H . . . . 7 TRP HD1 rr_2m6d 2
17 2 . 2 . 1 1 7 7 TRP HB2 H . . . . 7 TRP QB rr_2m6d 2
17 3 . 1 . 1 1 7 7 TRP HD1 H . . . . 7 TRP HD1 rr_2m6d 2
17 3 . 2 . 1 1 7 7 TRP HB3 H . . . . 7 TRP QB rr_2m6d 2
18 1 . 1 . 1 1 7 7 TRP HD1 H . . . . 7 TRP HD1 rr_2m6d 2
18 1 . 2 . 1 1 8 8 CYS HA H . . . . 8 CYSS HA rr_2m6d 2
19 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6d 2
19 1 . 2 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6d 2
20 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6d 2
20 1 . 2 . 1 1 8 8 CYS HA H . . . . 8 CYSS HA rr_2m6d 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 2.4 rr_2m6d 2
2 1 . . . . . . . . 3.5 rr_2m6d 2
3 1 . . . . . . . . 3.5 rr_2m6d 2
4 2 . . . . . . . . 3.5 rr_2m6d 2
4 3 . . . . . . . . 3.5 rr_2m6d 2
5 1 . . . . . . . . 3.5 rr_2m6d 2
6 2 . . . . . . . . 3.5 rr_2m6d 2
6 3 . . . . . . . . 3.5 rr_2m6d 2
7 2 . . . . . . . . 2.4 rr_2m6d 2
7 3 . . . . . . . . 2.4 rr_2m6d 2
8 2 . . . . . . . . 5.0 rr_2m6d 2
8 3 . . . . . . . . 5.0 rr_2m6d 2
9 2 . . . . . . . . 5.0 rr_2m6d 2
9 3 . . . . . . . . 5.0 rr_2m6d 2
10 2 . . . . . . . . 3.0 rr_2m6d 2
10 3 . . . . . . . . 3.0 rr_2m6d 2
11 2 . . . . . . . . 3.5 rr_2m6d 2
11 3 . . . . . . . . 3.5 rr_2m6d 2
12 2 . . . . . . . . 5.0 rr_2m6d 2
12 3 . . . . . . . . 5.0 rr_2m6d 2
13 2 . . . . . . . . 5.0 rr_2m6d 2
13 3 . . . . . . . . 5.0 rr_2m6d 2
14 1 . . . . . . . . 3.5 rr_2m6d 2
15 2 . . . . . . . . 5.0 rr_2m6d 2
15 3 . . . . . . . . 5.0 rr_2m6d 2
16 1 . . . . . . . . 2.5 rr_2m6d 2
17 2 . . . . . . . . 3.5 rr_2m6d 2
17 3 . . . . . . . . 3.5 rr_2m6d 2
18 1 . . . . . . . . 3.5 rr_2m6d 2
19 1 . . . . . . . . 3.0 rr_2m6d 2
20 1 . . . . . . . . 3.0 rr_2m6d 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 6 1 "Not handling restraint 6, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
2 5 7 1 "Not handling restraint 7, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
3 5 8 1 "Not handling restraint 8, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6d 2
4 5 9 1 "Not handling restraint 9, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
5 5 9 1 "Not handling restraint 9, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
6 5 10 1 "Not handling restraint 10, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_2m6d 2
7 5 11 1 "Not handling restraint 11, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6d 2
8 5 12 1 "Not handling restraint 12, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6d 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_2m6d
_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_2m6d 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_2m6d 3
2 1 . . . rr_2m6d 3
3 1 . . . rr_2m6d 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_2m6d 3
1 1 . 2 . 1 1 8 8 CYS N N . . . . 8 CYSS N rr_2m6d 3
2 1 . 1 . 1 1 2 2 CYS O O . . . . 2 CYSS O rr_2m6d 3
2 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6d 3
3 1 . 1 . 1 1 2 2 CYS O O . . . . 2 CYSS O rr_2m6d 3
3 1 . 2 . 1 1 5 5 TYR N N . . . . 5 TYR N rr_2m6d 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_2m6d 3
2 1 . . . . . . . . 2.2 rr_2m6d 3
3 1 . . . . . . . . 3.2 rr_2m6d 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_2m6d
_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_2m6d 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 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_2m6d 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 2 1 "Not handling restraint 2, resonance(s) ' .4.C' (nmrStar names) not linked" rr_2m6d 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_2m6d
_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 28-MAR-13 2M6D *TITLE NMR SOLUTION STRUCTURE OF TRANS (MAJOR) FORM OF IN936 IN WATER *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, WATER, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.SONTI *REVDAT 1 30-OCT-13 2M6D 0"
save_