NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
580236 |
2msa   |
25112 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2msa
# This DOCR archive file contains, for PDB entry <2msa>:
#
# - 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_2msa
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2msa"
_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 2msa"
_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 2msa "Master copy" rr_2msa
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2msa
_Assembly.ID 1
_Assembly.Name 2msa
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1488.5959
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 "Circumsporozoite protein peptide" 1 $Circumsporozoite_protein_peptide A . no . . . . . . rr_2msa 1
stop_
save_
save_Circumsporozoite_protein_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode Circumsporozoite_protein_peptide
_Entity.Entry_ID rr_2msa
_Entity.ID 1
_Entity.Name Circumsporozoite_protein_peptide
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code KNSFSLGENPNANPX
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 15
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1488.5959
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 . LYS . rr_2msa 1
2 . ASN . rr_2msa 1
3 . SER . rr_2msa 1
4 . PHE . rr_2msa 1
5 . SER . rr_2msa 1
6 . LEU . rr_2msa 1
7 . GLY . rr_2msa 1
8 . GLU . rr_2msa 1
9 . ASN . rr_2msa 1
10 . PRO . rr_2msa 1
11 . ASN . rr_2msa 1
12 . ALA . rr_2msa 1
13 . ASN . rr_2msa 1
14 . PRO . rr_2msa 1
15 . NH2 . rr_2msa 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
. LYS 1 1 rr_2msa 1
. ASN 2 2 rr_2msa 1
. SER 3 3 rr_2msa 1
. PHE 4 4 rr_2msa 1
. SER 5 5 rr_2msa 1
. LEU 6 6 rr_2msa 1
. GLY 7 7 rr_2msa 1
. GLU 8 8 rr_2msa 1
. ASN 9 9 rr_2msa 1
. PRO 10 10 rr_2msa 1
. ASN 11 11 rr_2msa 1
. ALA 12 12 rr_2msa 1
. ASN 13 13 rr_2msa 1
. PRO 14 14 rr_2msa 1
. NH2 15 15 rr_2msa 1
stop_
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_2msa
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2msa
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2msa
_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_2msa 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_2msa 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 LYS C C -18.739 -0.086 -0.474 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . rr_2msa 1
. 1 . 2 . 1 1 1 LYS CA C -19.962 0.017 -1.424 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . rr_2msa 1
. 1 . 3 . 1 1 1 LYS CB C -19.918 1.244 -2.372 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . rr_2msa 1
. 1 . 4 . 1 1 1 LYS CD C -18.779 2.379 -4.425 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . rr_2msa 1
. 1 . 5 . 1 1 1 LYS CE C -18.432 3.772 -3.855 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . rr_2msa 1
. 1 . 6 . 1 1 1 LYS CG C -18.788 1.197 -3.429 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . rr_2msa 1
. 1 . 7 . 1 1 1 LYS H1 H -22.016 0.139 -1.206 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . rr_2msa 1
. 1 . 8 . 1 1 1 LYS H2 H -21.194 0.920 -0.028 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . rr_2msa 1
. 1 . 9 . 1 1 1 LYS HA H -20.040 -0.890 -2.056 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . rr_2msa 1
. 1 . 10 . 1 1 1 LYS HB2 H -20.883 1.329 -2.910 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . rr_2msa 1
. 1 . 11 . 1 1 1 LYS HB3 H -19.834 2.175 -1.778 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . rr_2msa 1
. 1 . 12 . 1 1 1 LYS HD2 H -18.077 2.143 -5.247 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . rr_2msa 1
. 1 . 13 . 1 1 1 LYS HD3 H -19.768 2.436 -4.917 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . rr_2msa 1
. 1 . 14 . 1 1 1 LYS HE2 H -18.597 4.534 -4.639 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . rr_2msa 1
. 1 . 15 . 1 1 1 LYS HE3 H -19.120 4.042 -3.033 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . rr_2msa 1
. 1 . 16 . 1 1 1 LYS HG2 H -17.804 1.126 -2.930 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . rr_2msa 1
. 1 . 17 . 1 1 1 LYS HG3 H -18.884 0.259 -4.008 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . rr_2msa 1
. 1 . 18 . 1 1 1 LYS HZ2 H -16.390 3.719 -4.164 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . rr_2msa 1
. 1 . 19 . 1 1 1 LYS HZ3 H -16.849 4.838 -3.065 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . rr_2msa 1
. 1 . 20 . 1 1 1 LYS N N -21.190 0.069 -0.601 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . rr_2msa 1
. 1 . 21 . 1 1 1 LYS NZ N -17.037 3.882 -3.385 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . rr_2msa 1
. 1 . 22 . 1 1 1 LYS O O -18.410 0.869 0.240 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . rr_2msa 1
. 1 . 23 . 1 1 2 ASN C C -15.606 -0.938 -0.165 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2msa 1
. 1 . 24 . 1 1 2 ASN CA C -16.919 -1.544 0.407 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2msa 1
. 1 . 25 . 1 1 2 ASN CB C -16.767 -3.076 0.637 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2msa 1
. 1 . 26 . 1 1 2 ASN CG C -17.801 -3.717 1.586 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2msa 1
. 1 . 27 . 1 1 2 ASN H H -18.503 -2.001 -1.025 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2msa 1
. 1 . 28 . 1 1 2 ASN HA H -17.159 -1.106 1.390 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2msa 1
. 1 . 29 . 1 1 2 ASN HB2 H -16.746 -3.618 -0.330 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2msa 1
. 1 . 30 . 1 1 2 ASN HB3 H -15.771 -3.279 1.077 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2msa 1
. 1 . 31 . 1 1 2 ASN HD21 H -19.161 -3.729 0.127 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2msa 1
. 1 . 32 . 1 1 2 ASN HD22 H -19.666 -4.440 1.743 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2msa 1
. 1 . 33 . 1 1 2 ASN N N -18.063 -1.251 -0.490 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2msa 1
. 1 . 34 . 1 1 2 ASN ND2 N -18.988 -4.031 1.091 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2msa 1
. 1 . 35 . 1 1 2 ASN O O -15.169 -1.300 -1.263 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2msa 1
. 1 . 36 . 1 1 2 ASN OD1 O -17.537 -3.936 2.768 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2msa 1
. 1 . 37 . 1 1 3 SER C C -12.478 -0.272 0.430 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . rr_2msa 1
. 1 . 38 . 1 1 3 SER CA C -13.720 0.640 0.217 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . rr_2msa 1
. 1 . 39 . 1 1 3 SER CB C -13.601 1.976 0.961 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . rr_2msa 1
. 1 . 40 . 1 1 3 SER H H -15.492 0.266 1.440 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . rr_2msa 1
. 1 . 41 . 1 1 3 SER HA H -13.821 0.944 -0.825 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . rr_2msa 1
. 1 . 42 . 1 1 3 SER HB2 H -14.513 2.593 0.830 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . rr_2msa 1
. 1 . 43 . 1 1 3 SER HB3 H -13.498 1.773 2.031 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . rr_2msa 1
. 1 . 44 . 1 1 3 SER HG H -12.628 2.887 -0.426 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . rr_2msa 1
. 1 . 45 . 1 1 3 SER N N -14.978 -0.034 0.610 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . rr_2msa 1
. 1 . 46 . 1 1 3 SER O O -12.193 -0.696 1.555 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . rr_2msa 1
. 1 . 47 . 1 1 3 SER OG O -12.477 2.723 0.508 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . rr_2msa 1
. 1 . 48 . 1 1 4 PHE C C -9.293 -0.631 -0.069 . . . 1.0 . . . . . . . . . . . . A . 4 PHE C . . . . . . . . . rr_2msa 1
. 1 . 49 . 1 1 4 PHE CA C -10.527 -1.394 -0.637 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CA . . . . . . . . . rr_2msa 1
. 1 . 50 . 1 1 4 PHE CB C -10.272 -1.981 -2.045 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CB . . . . . . . . . rr_2msa 1
. 1 . 51 . 1 1 4 PHE CD1 C -9.319 -4.337 -1.792 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CD1 . . . . . . . . . rr_2msa 1
. 1 . 52 . 1 1 4 PHE CD2 C -7.839 -2.580 -2.540 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CD2 . . . . . . . . . rr_2msa 1
. 1 . 53 . 1 1 4 PHE CE1 C -8.259 -5.241 -1.825 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CE1 . . . . . . . . . rr_2msa 1
. 1 . 54 . 1 1 4 PHE CE2 C -6.781 -3.484 -2.568 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CE2 . . . . . . . . . rr_2msa 1
. 1 . 55 . 1 1 4 PHE CG C -9.116 -2.999 -2.147 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CG . . . . . . . . . rr_2msa 1
. 1 . 56 . 1 1 4 PHE CZ C -6.991 -4.813 -2.211 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CZ . . . . . . . . . rr_2msa 1
. 1 . 57 . 1 1 4 PHE H H -12.136 -0.226 -1.550 . . . 1.0 . . . . . . . . . . . . A . 4 PHE H . . . . . . . . . rr_2msa 1
. 1 . 58 . 1 1 4 PHE HA H -10.767 -2.270 -0.034 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HA . . . . . . . . . rr_2msa 1
. 1 . 59 . 1 1 4 PHE HB2 H -11.196 -2.455 -2.431 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HB2 . . . . . . . . . rr_2msa 1
. 1 . 60 . 1 1 4 PHE HB3 H -10.098 -1.137 -2.719 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HB3 . . . . . . . . . rr_2msa 1
. 1 . 61 . 1 1 4 PHE HD1 H -10.295 -4.679 -1.476 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HD1 . . . . . . . . . rr_2msa 1
. 1 . 62 . 1 1 4 PHE HD2 H -7.658 -1.547 -2.802 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HD2 . . . . . . . . . rr_2msa 1
. 1 . 63 . 1 1 4 PHE HE1 H -8.419 -6.272 -1.545 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HE1 . . . . . . . . . rr_2msa 1
. 1 . 64 . 1 1 4 PHE HE2 H -5.795 -3.154 -2.860 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HE2 . . . . . . . . . rr_2msa 1
. 1 . 65 . 1 1 4 PHE HZ H -6.169 -5.513 -2.231 . . . 1.0 . . . . . . . . . . . . A . 4 PHE HZ . . . . . . . . . rr_2msa 1
. 1 . 66 . 1 1 4 PHE N N -11.740 -0.542 -0.664 . . . 1.0 . . . . . . . . . . . . A . 4 PHE N . . . . . . . . . rr_2msa 1
. 1 . 67 . 1 1 4 PHE O O -8.944 0.455 -0.545 . . . 1.0 . . . . . . . . . . . . A . 4 PHE O . . . . . . . . . rr_2msa 1
. 1 . 68 . 1 1 5 SER C C -6.146 -1.010 0.671 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2msa 1
. 1 . 69 . 1 1 5 SER CA C -7.399 -0.701 1.540 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2msa 1
. 1 . 70 . 1 1 5 SER CB C -7.271 -1.218 2.979 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2msa 1
. 1 . 71 . 1 1 5 SER H H -9.068 -2.084 1.302 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2msa 1
. 1 . 72 . 1 1 5 SER HA H -7.547 0.369 1.674 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_2msa 1
. 1 . 73 . 1 1 5 SER HB2 H -8.195 -1.024 3.560 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2msa 1
. 1 . 74 . 1 1 5 SER HB3 H -7.127 -2.303 2.950 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2msa 1
. 1 . 75 . 1 1 5 SER HG H -6.358 0.332 3.661 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_2msa 1
. 1 . 76 . 1 1 5 SER N N -8.618 -1.254 0.916 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2msa 1
. 1 . 77 . 1 1 5 SER O O -5.758 -2.173 0.510 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_2msa 1
. 1 . 78 . 1 1 5 SER OG O -6.172 -0.610 3.649 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_2msa 1
. 1 . 79 . 1 1 6 LEU C C -3.031 -0.230 0.132 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_2msa 1
. 1 . 80 . 1 1 6 LEU CA C -4.317 -0.056 -0.724 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_2msa 1
. 1 . 81 . 1 1 6 LEU CB C -4.192 1.183 -1.651 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_2msa 1
. 1 . 82 . 1 1 6 LEU CD1 C -5.061 2.679 -3.483 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_2msa 1
. 1 . 83 . 1 1 6 LEU CD2 C -5.135 0.187 -3.842 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_2msa 1
. 1 . 84 . 1 1 6 LEU CG C -5.239 1.317 -2.802 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_2msa 1
. 1 . 85 . 1 1 6 LEU H H -5.980 0.952 0.251 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_2msa 1
. 1 . 86 . 1 1 6 LEU HA H -4.464 -0.914 -1.392 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_2msa 1
. 1 . 87 . 1 1 6 LEU HB2 H -4.192 2.099 -1.025 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_2msa 1
. 1 . 88 . 1 1 6 LEU HB3 H -3.182 1.182 -2.109 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_2msa 1
. 1 . 89 . 1 1 6 LEU HD11 H -5.806 2.825 -4.286 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_2msa 1
. 1 . 90 . 1 1 6 LEU HD12 H -5.196 3.502 -2.757 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_2msa 1
. 1 . 91 . 1 1 6 LEU HD13 H -4.054 2.784 -3.927 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_2msa 1
. 1 . 92 . 1 1 6 LEU HD21 H -5.856 0.330 -4.667 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_2msa 1
. 1 . 93 . 1 1 6 LEU HD22 H -4.123 0.120 -4.280 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_2msa 1
. 1 . 94 . 1 1 6 LEU HD23 H -5.368 -0.795 -3.395 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_2msa 1
. 1 . 95 . 1 1 6 LEU HG H -6.277 1.294 -2.417 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_2msa 1
. 1 . 96 . 1 1 6 LEU N N -5.520 0.051 0.129 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_2msa 1
. 1 . 97 . 1 1 6 LEU O O -2.716 0.619 0.975 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_2msa 1
. 1 . 98 . 1 1 7 GLY C C 0.194 -1.049 -0.178 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_2msa 1
. 1 . 99 . 1 1 7 GLY CA C -1.019 -1.610 0.588 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_2msa 1
. 1 . 100 . 1 1 7 GLY H H -2.664 -1.949 -0.842 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_2msa 1
. 1 . 101 . 1 1 7 GLY HA2 H -1.039 -1.245 1.635 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_2msa 1
. 1 . 102 . 1 1 7 GLY HA3 H -0.910 -2.707 0.679 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_2msa 1
. 1 . 103 . 1 1 7 GLY N N -2.293 -1.328 -0.114 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_2msa 1
. 1 . 104 . 1 1 7 GLY O O 0.849 -1.780 -0.926 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_2msa 1
. 1 . 105 . 1 1 8 GLU C C 2.989 0.588 0.049 . . . 1.0 . . . . . . . . . . . . A . 8 GLU C . . . . . . . . . rr_2msa 1
. 1 . 106 . 1 1 8 GLU CA C 1.622 0.952 -0.597 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CA . . . . . . . . . rr_2msa 1
. 1 . 107 . 1 1 8 GLU CB C 1.384 2.503 -0.509 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CB . . . . . . . . . rr_2msa 1
. 1 . 108 . 1 1 8 GLU CD C -0.026 2.848 -2.659 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CD . . . . . . . . . rr_2msa 1
. 1 . 109 . 1 1 8 GLU CG C 0.082 3.054 -1.144 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CG . . . . . . . . . rr_2msa 1
. 1 . 110 . 1 1 8 GLU H H -0.253 0.778 0.493 . . . 1.0 . . . . . . . . . . . . A . 8 GLU H . . . . . . . . . rr_2msa 1
. 1 . 111 . 1 1 8 GLU HA H 1.601 0.618 -1.661 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HA . . . . . . . . . rr_2msa 1
. 1 . 112 . 1 1 8 GLU HB2 H 1.430 2.848 0.546 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HB2 . . . . . . . . . rr_2msa 1
. 1 . 113 . 1 1 8 GLU HB3 H 2.232 3.056 -0.941 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HB3 . . . . . . . . . rr_2msa 1
. 1 . 114 . 1 1 8 GLU HE2 H -0.947 1.196 -2.201 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HE2 . . . . . . . . . rr_2msa 1
. 1 . 115 . 1 1 8 GLU HG2 H -0.804 2.620 -0.643 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HG2 . . . . . . . . . rr_2msa 1
. 1 . 116 . 1 1 8 GLU HG3 H 0.016 4.138 -0.936 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HG3 . . . . . . . . . rr_2msa 1
. 1 . 117 . 1 1 8 GLU N N 0.496 0.241 0.055 . . . 1.0 . . . . . . . . . . . . A . 8 GLU N . . . . . . . . . rr_2msa 1
. 1 . 118 . 1 1 8 GLU O O 3.175 0.738 1.262 . . . 1.0 . . . . . . . . . . . . A . 8 GLU O . . . . . . . . . rr_2msa 1
. 1 . 119 . 1 1 8 GLU OE1 O 0.422 3.644 -3.484 . . . 1.0 . . . . . . . . . . . . A . 8 GLU OE1 . . . . . . . . . rr_2msa 1
. 1 . 120 . 1 1 8 GLU OE2 O -0.673 1.682 -2.982 . . . 1.0 . . . . . . . . . . . . A . 8 GLU OE2 . . . . . . . . . rr_2msa 1
. 1 . 121 . 1 1 9 ASN C C 6.211 0.994 -0.097 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . rr_2msa 1
. 1 . 122 . 1 1 9 ASN CA C 5.299 -0.262 -0.338 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . rr_2msa 1
. 1 . 123 . 1 1 9 ASN CB C 5.909 -1.239 -1.383 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . rr_2msa 1
. 1 . 124 . 1 1 9 ASN CG C 7.271 -1.856 -0.996 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . rr_2msa 1
. 1 . 125 . 1 1 9 ASN H H 3.636 -0.051 -1.743 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . rr_2msa 1
. 1 . 126 . 1 1 9 ASN HA H 5.162 -0.854 0.577 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . rr_2msa 1
. 1 . 127 . 1 1 9 ASN HB2 H 5.195 -2.061 -1.595 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . rr_2msa 1
. 1 . 128 . 1 1 9 ASN HB3 H 6.027 -0.723 -2.356 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . rr_2msa 1
. 1 . 129 . 1 1 9 ASN HD21 H 6.369 -3.316 0.046 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . rr_2msa 1
. 1 . 130 . 1 1 9 ASN HD22 H 8.203 -3.320 0.008 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . rr_2msa 1
. 1 . 131 . 1 1 9 ASN N N 3.942 0.132 -0.786 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . rr_2msa 1
. 1 . 132 . 1 1 9 ASN ND2 N 7.282 -2.935 -0.227 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . rr_2msa 1
. 1 . 133 . 1 1 9 ASN O O 6.380 1.773 -1.042 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . rr_2msa 1
. 1 . 134 . 1 1 9 ASN OD1 O 8.326 -1.358 -1.388 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . rr_2msa 1
. 1 . 135 . 1 1 10 PRO C C 8.816 2.794 0.386 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . rr_2msa 1
. 1 . 136 . 1 1 10 PRO CA C 7.759 2.292 1.406 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . rr_2msa 1
. 1 . 137 . 1 1 10 PRO CB C 8.340 1.962 2.786 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . rr_2msa 1
. 1 . 138 . 1 1 10 PRO CD C 6.377 0.788 2.396 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . rr_2msa 1
. 1 . 139 . 1 1 10 PRO CG C 7.610 0.725 3.247 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . rr_2msa 1
. 1 . 140 . 1 1 10 PRO HA H 6.990 3.010 1.649 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . rr_2msa 1
. 1 . 141 . 1 1 10 PRO HB2 H 9.432 1.854 2.794 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . rr_2msa 1
. 1 . 142 . 1 1 10 PRO HB3 H 8.046 2.744 3.496 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . rr_2msa 1
. 1 . 143 . 1 1 10 PRO HD2 H 5.864 -0.108 2.392 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . rr_2msa 1
. 1 . 144 . 1 1 10 PRO HD3 H 5.682 1.526 2.811 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . rr_2msa 1
. 1 . 145 . 1 1 10 PRO HG2 H 8.150 -0.172 2.970 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . rr_2msa 1
. 1 . 146 . 1 1 10 PRO HG3 H 7.397 0.716 4.330 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . rr_2msa 1
. 1 . 147 . 1 1 10 PRO N N 6.889 1.162 1.079 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . rr_2msa 1
. 1 . 148 . 1 1 10 PRO O O 9.374 2.002 -0.383 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . rr_2msa 1
. 1 . 149 . 1 1 11 ASN C C 11.547 4.157 -0.180 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . rr_2msa 1
. 1 . 150 . 1 1 11 ASN CA C 10.127 4.757 -0.440 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . rr_2msa 1
. 1 . 151 . 1 1 11 ASN CB C 9.992 6.305 -0.391 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . rr_2msa 1
. 1 . 152 . 1 1 11 ASN CG C 10.599 7.057 0.805 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . rr_2msa 1
. 1 . 153 . 1 1 11 ASN H H 8.523 4.668 1.060 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . rr_2msa 1
. 1 . 154 . 1 1 11 ASN HA H 9.848 4.536 -1.476 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . rr_2msa 1
. 1 . 155 . 1 1 11 ASN HB2 H 10.423 6.716 -1.326 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . rr_2msa 1
. 1 . 156 . 1 1 11 ASN HB3 H 8.924 6.588 -0.473 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . rr_2msa 1
. 1 . 157 . 1 1 11 ASN HD21 H 12.326 6.799 -0.068 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . rr_2msa 1
. 1 . 158 . 1 1 11 ASN HD22 H 12.350 7.698 1.542 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . rr_2msa 1
. 1 . 159 . 1 1 11 ASN N N 9.108 4.111 0.432 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . rr_2msa 1
. 1 . 160 . 1 1 11 ASN ND2 N 11.891 7.306 0.714 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . rr_2msa 1
. 1 . 161 . 1 1 11 ASN O O 12.056 4.199 0.945 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . rr_2msa 1
. 1 . 162 . 1 1 11 ASN OD1 O 9.931 7.402 1.780 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . rr_2msa 1
. 1 . 163 . 1 1 12 ALA C C 13.598 1.717 -0.194 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_2msa 1
. 1 . 164 . 1 1 12 ALA CA C 13.494 2.927 -1.193 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_2msa 1
. 1 . 165 . 1 1 12 ALA CB C 14.611 4.004 -0.986 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_2msa 1
. 1 . 166 . 1 1 12 ALA H H 11.599 3.603 -2.104 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_2msa 1
. 1 . 167 . 1 1 12 ALA HA H 13.612 2.460 -2.202 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_2msa 1
. 1 . 168 . 1 1 12 ALA HB1 H 14.557 4.836 -1.715 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_2msa 1
. 1 . 169 . 1 1 12 ALA HB2 H 15.632 3.586 -1.064 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_2msa 1
. 1 . 170 . 1 1 12 ALA HB3 H 14.564 4.481 0.016 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_2msa 1
. 1 . 171 . 1 1 12 ALA N N 12.146 3.571 -1.237 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_2msa 1
. 1 . 172 . 1 1 12 ALA O O 14.585 1.582 0.538 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_2msa 1
. 1 . 173 . 1 1 13 ASN C C 13.420 -1.545 0.108 . . . 1.0 . . . . . . . . . . . . A . 13 ASN C . . . . . . . . . rr_2msa 1
. 1 . 174 . 1 1 13 ASN CA C 12.541 -0.377 0.679 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CA . . . . . . . . . rr_2msa 1
. 1 . 175 . 1 1 13 ASN CB C 11.050 -0.785 0.858 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CB . . . . . . . . . rr_2msa 1
. 1 . 176 . 1 1 13 ASN CG C 10.784 -1.933 1.853 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CG . . . . . . . . . rr_2msa 1
. 1 . 177 . 1 1 13 ASN H H 11.744 1.120 -0.696 . . . 1.0 . . . . . . . . . . . . A . 13 ASN H . . . . . . . . . rr_2msa 1
. 1 . 178 . 1 1 13 ASN HA H 12.893 -0.044 1.667 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HA . . . . . . . . . rr_2msa 1
. 1 . 179 . 1 1 13 ASN HB2 H 10.450 0.093 1.169 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB2 . . . . . . . . . rr_2msa 1
. 1 . 180 . 1 1 13 ASN HB3 H 10.624 -1.073 -0.122 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB3 . . . . . . . . . rr_2msa 1
. 1 . 181 . 1 1 13 ASN HD21 H 10.785 -0.650 3.397 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD21 . . . . . . . . . rr_2msa 1
. 1 . 182 . 1 1 13 ASN HD22 H 10.514 -2.424 3.779 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD22 . . . . . . . . . rr_2msa 1
. 1 . 183 . 1 1 13 ASN N N 12.588 0.814 -0.203 . . . 1.0 . . . . . . . . . . . . A . 13 ASN N . . . . . . . . . rr_2msa 1
. 1 . 184 . 1 1 13 ASN ND2 N 10.693 -1.639 3.142 . . . 1.0 . . . . . . . . . . . . A . 13 ASN ND2 . . . . . . . . . rr_2msa 1
. 1 . 185 . 1 1 13 ASN O O 13.226 -1.892 -1.063 . . . 1.0 . . . . . . . . . . . . A . 13 ASN O . . . . . . . . . rr_2msa 1
. 1 . 186 . 1 1 13 ASN OD1 O 10.662 -3.095 1.466 . . . 1.0 . . . . . . . . . . . . A . 13 ASN OD1 . . . . . . . . . rr_2msa 1
. 1 . 187 . 1 1 14 PRO C C 14.450 -4.571 -0.181 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . rr_2msa 1
. 1 . 188 . 1 1 14 PRO CA C 15.175 -3.329 0.403 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . rr_2msa 1
. 1 . 189 . 1 1 14 PRO CB C 16.117 -3.663 1.559 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . rr_2msa 1
. 1 . 190 . 1 1 14 PRO CD C 14.874 -1.727 2.143 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . rr_2msa 1
. 1 . 191 . 1 1 14 PRO CG C 15.528 -2.945 2.730 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . rr_2msa 1
. 1 . 192 . 1 1 14 PRO HA H 15.870 -2.858 -0.279 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . rr_2msa 1
. 1 . 193 . 1 1 14 PRO HB2 H 16.290 -4.740 1.745 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . rr_2msa 1
. 1 . 194 . 1 1 14 PRO HB3 H 17.085 -3.166 1.407 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . rr_2msa 1
. 1 . 195 . 1 1 14 PRO HD2 H 14.156 -1.325 2.848 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . rr_2msa 1
. 1 . 196 . 1 1 14 PRO HD3 H 15.647 -0.986 1.933 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . rr_2msa 1
. 1 . 197 . 1 1 14 PRO HG2 H 14.759 -3.556 3.182 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . rr_2msa 1
. 1 . 198 . 1 1 14 PRO HG3 H 16.314 -2.688 3.441 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . rr_2msa 1
. 1 . 199 . 1 1 14 PRO N N 14.317 -2.225 0.885 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . rr_2msa 1
. 1 . 200 . 1 1 14 PRO O O 13.577 -5.170 0.449 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . rr_2msa 1
. 1 . 201 . 1 1 15 NH2 HN1 H 14.310 -5.797 -1.763 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . rr_2msa 1
. 1 . 202 . 1 1 15 NH2 HN2 H 15.533 -4.433 -1.864 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . rr_2msa 1
. 1 . 203 . 1 1 15 NH2 N N 14.800 -4.975 -1.393 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . rr_2msa 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_2msa
_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 2msa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2msa 1
1 2msa.mr . . unknown 2 stereochemistry prochirality "Not applicable" 0 rr_2msa 1
1 2msa.mr . . unknown 3 distance NOE simple 0 rr_2msa 1
1 2msa.mr . . unknown 4 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2msa 1
1 2msa.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2msa 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_2msa
_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 2msa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2msa 1
1 2msa.mr . . unknown 2 stereochemistry prochirality "Not applicable" 0 rr_2msa 1
1 2msa.mr . . unknown 3 distance NOE simple 0 rr_2msa 1
1 2msa.mr . . unknown 4 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2msa 1
1 2msa.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2msa 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_2msa
_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 CELL INVASION 28-JUL-14 2MSA *TITLE STRUCTURAL AND IMMUNOLOGICAL ANALYSIS OF CIRCUMSPOROZOITE PROTEIN *TITLE 2 PEPTIDES: A FURTHER STEP IN THE IDENTIFICATION OF POTENTIAL *TITLE 3 COMPONENTS OF A MINIMAL SUBUNIT-BASED, CHEMICALLY SYNTHESISED *TITLE 4 ANTIMALARIAL VACCINE. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CIRCUMSPOROZOITE PROTEIN PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833 *KEYWDS CLASIC TURN TYPE II, CELL INVASION *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR B.ADRIANA, V.MAGNOLIA, P.E.MANUEL *REVDAT 1 03-SEP-14 2MSA 0"
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:49:09 AM GMT (wattos1)