data_10296 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of Homeobox protein goosecoid ; _BMRB_accession_number 10296 _BMRB_flat_file_name bmr10296.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohnishi S. . . 2 Sato M. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 369 "13C chemical shifts" 280 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the homeobox domain of Homeobox protein goosecoid' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohnishi S. . . 2 Sato M. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Homeobox protein goosecoid' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGRRHRTIFTDEQLE ALENLFQETKYPDVGTREQL ARKVHLREEKVEVWFKNRRA KWRRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ARG 10 HIS 11 ARG 12 THR 13 ILE 14 PHE 15 THR 16 ASP 17 GLU 18 GLN 19 LEU 20 GLU 21 ALA 22 LEU 23 GLU 24 ASN 25 LEU 26 PHE 27 GLN 28 GLU 29 THR 30 LYS 31 TYR 32 PRO 33 ASP 34 VAL 35 GLY 36 THR 37 ARG 38 GLU 39 GLN 40 LEU 41 ALA 42 ARG 43 LYS 44 VAL 45 HIS 46 LEU 47 ARG 48 GLU 49 GLU 50 LYS 51 VAL 52 GLU 53 VAL 54 TRP 55 PHE 56 LYS 57 ASN 58 ARG 59 ARG 60 ALA 61 LYS 62 TRP 63 ARG 64 ARG 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DMU "Solution Structure Of The Homeobox Domain Of Homeobox Protein Goosecoid" 100.00 70 100.00 100.00 5.50e-42 DBJ BAG73208 "goosecoid homeobox [synthetic construct]" 81.43 257 100.00 100.00 4.16e-32 DBJ BAK40073 "homeobox protein Goosecoid [Takifugu niphobles]" 81.43 237 98.25 98.25 2.03e-31 DBJ BAR79454 "gsc [Paroedura picta]" 81.43 264 98.25 100.00 1.24e-31 EMBL CAA49897 "chicken goosecoid [Gallus gallus]" 81.43 245 100.00 100.00 3.88e-32 EMBL CAA73611 "goosecoid homeobox protein [Mus musculus]" 81.43 256 100.00 100.00 3.99e-32 EMBL CAA73612 "goosecoid homeobox protein [Mus musculus]" 81.43 256 100.00 100.00 3.99e-32 EMBL CAA76833 "goosecoid protein [Sus scrofa]" 81.43 109 100.00 100.00 3.23e-32 EMBL CAJ82436 "goosecoid [Xenopus (Silurana) tropicalis]" 81.43 292 98.25 100.00 3.17e-31 GB AAA37826 "homeobox protein [Mus musculus]" 81.43 256 100.00 100.00 3.99e-32 GB AAA49729 "homeobox protein [Xenopus laevis]" 81.43 243 98.25 100.00 1.54e-31 GB AAA49744 "homeobox gene; putative, partial [Xenopus laevis]" 81.43 293 98.25 100.00 5.12e-31 GB AAA50028 "homeodomain protein, partial [Danio rerio]" 81.43 135 100.00 100.00 2.13e-32 GB AAA50030 "homeodomain protein [Danio rerio]" 81.43 240 100.00 100.00 6.11e-32 REF NP_001016704 "homeobox protein goosecoid [Xenopus (Silurana) tropicalis]" 81.43 243 98.25 100.00 1.43e-31 REF NP_001074955 "homeobox protein goosecoid [Pan troglodytes]" 81.43 257 100.00 100.00 3.40e-32 REF NP_001081278 "homeobox protein goosecoid isoform B [Xenopus laevis]" 81.43 243 98.25 100.00 1.54e-31 REF NP_001093429 "homeobox protein goosecoid [Oryctolagus cuniculus]" 81.43 260 100.00 100.00 4.66e-32 REF NP_001107361 "uncharacterized protein LOC100135186 [Xenopus (Silurana) tropicalis]" 81.43 243 98.25 100.00 1.54e-31 SP A1YEY5 "RecName: Full=Homeobox protein goosecoid" 81.43 257 100.00 100.00 3.40e-32 SP A1YFI3 "RecName: Full=Homeobox protein goosecoid" 81.43 257 100.00 100.00 4.03e-32 SP A1YG57 "RecName: Full=Homeobox protein goosecoid" 81.43 257 100.00 100.00 3.40e-32 SP A2T733 "RecName: Full=Homeobox protein goosecoid" 81.43 257 100.00 100.00 3.40e-32 SP A2T7P4 "RecName: Full=Homeobox protein goosecoid" 81.43 257 100.00 100.00 3.26e-32 TPG DAA17416 "TPA: goosecoid homeobox-like [Bos taurus]" 81.43 257 100.00 100.00 6.42e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P050919-23 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.3 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.965 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'homeobox domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 10 10 HIS HA H 4.605 0.030 1 2 10 10 HIS HB2 H 3.025 0.030 2 3 10 10 HIS HB3 H 3.125 0.030 2 4 10 10 HIS HD2 H 6.987 0.030 1 5 10 10 HIS CA C 56.397 0.300 1 6 10 10 HIS CB C 29.857 0.300 1 7 10 10 HIS CD2 C 120.020 0.300 1 8 12 12 THR HA H 4.305 0.030 1 9 12 12 THR HB H 4.114 0.030 1 10 12 12 THR HG2 H 1.048 0.030 1 11 12 12 THR C C 173.925 0.300 1 12 12 12 THR CA C 62.068 0.300 1 13 12 12 THR CB C 69.817 0.300 1 14 12 12 THR CG2 C 21.810 0.300 1 15 13 13 ILE H H 8.188 0.030 1 16 13 13 ILE HA H 4.139 0.030 1 17 13 13 ILE HB H 1.772 0.030 1 18 13 13 ILE HD1 H 0.763 0.030 1 19 13 13 ILE HG12 H 1.258 0.030 2 20 13 13 ILE HG13 H 1.058 0.030 2 21 13 13 ILE HG2 H 0.715 0.030 1 22 13 13 ILE C C 175.795 0.300 1 23 13 13 ILE CA C 61.202 0.300 1 24 13 13 ILE CB C 38.686 0.300 1 25 13 13 ILE CD1 C 12.822 0.300 1 26 13 13 ILE CG1 C 26.914 0.300 1 27 13 13 ILE CG2 C 17.453 0.300 1 28 13 13 ILE N N 123.673 0.300 1 29 14 14 PHE H H 8.178 0.030 1 30 14 14 PHE HA H 4.977 0.030 1 31 14 14 PHE HB2 H 2.802 0.030 2 32 14 14 PHE HB3 H 3.203 0.030 2 33 14 14 PHE HD1 H 7.240 0.030 1 34 14 14 PHE HD2 H 7.240 0.030 1 35 14 14 PHE HE1 H 7.279 0.030 1 36 14 14 PHE HE2 H 7.279 0.030 1 37 14 14 PHE HZ H 7.460 0.030 1 38 14 14 PHE C C 176.475 0.300 1 39 14 14 PHE CA C 57.025 0.300 1 40 14 14 PHE CB C 41.482 0.300 1 41 14 14 PHE CD1 C 131.798 0.300 1 42 14 14 PHE CD2 C 131.798 0.300 1 43 14 14 PHE CE1 C 131.270 0.300 1 44 14 14 PHE CE2 C 131.270 0.300 1 45 14 14 PHE CZ C 129.413 0.300 1 46 14 14 PHE N N 122.586 0.300 1 47 15 15 THR H H 8.792 0.030 1 48 15 15 THR HA H 4.462 0.030 1 49 15 15 THR HB H 4.765 0.030 1 50 15 15 THR HG2 H 1.307 0.030 1 51 15 15 THR C C 175.261 0.300 1 52 15 15 THR CA C 60.623 0.300 1 53 15 15 THR CB C 70.645 0.300 1 54 15 15 THR CG2 C 21.700 0.300 1 55 15 15 THR N N 113.201 0.300 1 56 16 16 ASP H H 9.018 0.030 1 57 16 16 ASP HA H 4.371 0.030 1 58 16 16 ASP HB2 H 2.624 0.030 2 59 16 16 ASP HB3 H 2.724 0.030 2 60 16 16 ASP C C 178.806 0.300 1 61 16 16 ASP CA C 58.163 0.300 1 62 16 16 ASP CB C 39.689 0.300 1 63 16 16 ASP N N 121.802 0.300 1 64 17 17 GLU H H 8.785 0.030 1 65 17 17 GLU HA H 4.054 0.030 1 66 17 17 GLU HB2 H 2.084 0.030 2 67 17 17 GLU HB3 H 1.928 0.030 2 68 17 17 GLU HG2 H 2.249 0.030 2 69 17 17 GLU HG3 H 2.307 0.030 2 70 17 17 GLU C C 180.044 0.300 1 71 17 17 GLU CA C 59.706 0.300 1 72 17 17 GLU CB C 29.520 0.300 1 73 17 17 GLU CG C 36.690 0.300 1 74 17 17 GLU N N 119.474 0.300 1 75 18 18 GLN H H 7.700 0.030 1 76 18 18 GLN HA H 3.665 0.030 1 77 18 18 GLN HB2 H 1.587 0.030 2 78 18 18 GLN HB3 H 2.695 0.030 2 79 18 18 GLN HE21 H 7.603 0.030 2 80 18 18 GLN HE22 H 6.762 0.030 2 81 18 18 GLN HG2 H 2.673 0.030 2 82 18 18 GLN HG3 H 2.367 0.030 2 83 18 18 GLN C C 177.009 0.300 1 84 18 18 GLN CA C 59.354 0.300 1 85 18 18 GLN CB C 27.377 0.300 1 86 18 18 GLN CG C 34.628 0.300 1 87 18 18 GLN N N 119.784 0.300 1 88 18 18 GLN NE2 N 109.661 0.300 1 89 19 19 LEU H H 8.383 0.030 1 90 19 19 LEU HA H 3.585 0.030 1 91 19 19 LEU HB2 H 1.543 0.030 2 92 19 19 LEU HB3 H 1.781 0.030 2 93 19 19 LEU HD1 H 0.953 0.030 1 94 19 19 LEU HD2 H 0.792 0.030 1 95 19 19 LEU HG H 1.682 0.030 1 96 19 19 LEU C C 178.830 0.300 1 97 19 19 LEU CA C 57.908 0.300 1 98 19 19 LEU CB C 41.703 0.300 1 99 19 19 LEU CD1 C 25.170 0.300 2 100 19 19 LEU CD2 C 23.543 0.300 2 101 19 19 LEU CG C 26.967 0.300 1 102 19 19 LEU N N 117.889 0.300 1 103 20 20 GLU H H 8.119 0.030 1 104 20 20 GLU HA H 3.897 0.030 1 105 20 20 GLU HB2 H 1.956 0.030 2 106 20 20 GLU HB3 H 2.025 0.030 2 107 20 20 GLU HG2 H 2.154 0.030 2 108 20 20 GLU HG3 H 2.297 0.030 2 109 20 20 GLU C C 178.126 0.300 1 110 20 20 GLU CA C 59.248 0.300 1 111 20 20 GLU CB C 29.697 0.300 1 112 20 20 GLU CG C 36.173 0.300 1 113 20 20 GLU N N 118.697 0.300 1 114 21 21 ALA H H 7.309 0.030 1 115 21 21 ALA HA H 4.057 0.030 1 116 21 21 ALA HB H 1.419 0.030 1 117 21 21 ALA C C 180.773 0.300 1 118 21 21 ALA CA C 54.947 0.300 1 119 21 21 ALA CB C 18.888 0.300 1 120 21 21 ALA N N 120.540 0.300 1 121 22 22 LEU H H 8.070 0.030 1 122 22 22 LEU HA H 3.428 0.030 1 123 22 22 LEU HB2 H -1.292 0.030 2 124 22 22 LEU HB3 H 0.531 0.030 2 125 22 22 LEU HD1 H -0.727 0.030 1 126 22 22 LEU HD2 H 0.457 0.030 1 127 22 22 LEU HG H 1.077 0.030 1 128 22 22 LEU C C 177.131 0.300 1 129 22 22 LEU CA C 58.408 0.300 1 130 22 22 LEU CB C 38.173 0.300 1 131 22 22 LEU CD1 C 23.750 0.300 2 132 22 22 LEU CD2 C 24.383 0.300 2 133 22 22 LEU CG C 26.223 0.300 1 134 22 22 LEU N N 121.563 0.300 1 135 23 23 GLU H H 7.997 0.030 1 136 23 23 GLU HA H 4.289 0.030 1 137 23 23 GLU HB2 H 1.945 0.030 2 138 23 23 GLU HB3 H 2.066 0.030 2 139 23 23 GLU HG2 H 2.328 0.030 2 140 23 23 GLU HG3 H 2.453 0.030 2 141 23 23 GLU C C 179.510 0.300 1 142 23 23 GLU CA C 58.734 0.300 1 143 23 23 GLU CB C 28.879 0.300 1 144 23 23 GLU CG C 34.712 0.300 1 145 23 23 GLU N N 118.641 0.300 1 146 24 24 ASN H H 8.282 0.030 1 147 24 24 ASN HA H 4.443 0.030 1 148 24 24 ASN HB2 H 2.738 0.030 2 149 24 24 ASN HB3 H 2.890 0.030 2 150 24 24 ASN HD21 H 7.527 0.030 2 151 24 24 ASN HD22 H 6.966 0.030 2 152 24 24 ASN C C 178.563 0.300 1 153 24 24 ASN CA C 56.145 0.300 1 154 24 24 ASN CB C 38.055 0.300 1 155 24 24 ASN N N 117.495 0.300 1 156 24 24 ASN ND2 N 111.907 0.300 1 157 25 25 LEU H H 7.852 0.030 1 158 25 25 LEU HA H 4.445 0.030 1 159 25 25 LEU HB2 H 1.610 0.030 2 160 25 25 LEU HB3 H 2.252 0.030 2 161 25 25 LEU HD1 H 0.989 0.030 1 162 25 25 LEU HD2 H 0.823 0.030 1 163 25 25 LEU HG H 1.779 0.030 1 164 25 25 LEU C C 177.276 0.300 1 165 25 25 LEU CA C 57.963 0.300 1 166 25 25 LEU CB C 40.400 0.300 1 167 25 25 LEU CD1 C 23.025 0.300 2 168 25 25 LEU CD2 C 26.590 0.300 2 169 25 25 LEU CG C 27.313 0.300 1 170 25 25 LEU N N 121.261 0.300 1 171 26 26 PHE H H 8.711 0.030 1 172 26 26 PHE HA H 4.628 0.030 1 173 26 26 PHE HB2 H 3.189 0.030 2 174 26 26 PHE HB3 H 3.251 0.030 2 175 26 26 PHE HD1 H 7.146 0.030 1 176 26 26 PHE HD2 H 7.146 0.030 1 177 26 26 PHE HE1 H 6.886 0.030 1 178 26 26 PHE HE2 H 6.886 0.030 1 179 26 26 PHE HZ H 6.462 0.030 1 180 26 26 PHE C C 176.232 0.300 1 181 26 26 PHE CA C 61.011 0.300 1 182 26 26 PHE CB C 38.906 0.300 1 183 26 26 PHE CD1 C 132.307 0.300 1 184 26 26 PHE CD2 C 132.307 0.300 1 185 26 26 PHE CE1 C 130.289 0.300 1 186 26 26 PHE CE2 C 130.289 0.300 1 187 26 26 PHE CZ C 128.659 0.300 1 188 26 26 PHE N N 120.816 0.300 1 189 27 27 GLN H H 8.007 0.030 1 190 27 27 GLN HA H 3.665 0.030 1 191 27 27 GLN HB2 H 2.164 0.030 2 192 27 27 GLN HB3 H 2.218 0.030 2 193 27 27 GLN HE21 H 7.856 0.030 2 194 27 27 GLN HE22 H 6.957 0.030 2 195 27 27 GLN HG2 H 2.701 0.030 2 196 27 27 GLN HG3 H 2.621 0.030 2 197 27 27 GLN C C 177.106 0.300 1 198 27 27 GLN CA C 57.892 0.300 1 199 27 27 GLN CB C 28.195 0.300 1 200 27 27 GLN CG C 33.771 0.300 1 201 27 27 GLN N N 114.037 0.300 1 202 27 27 GLN NE2 N 113.613 0.300 1 203 28 28 GLU H H 7.467 0.030 1 204 28 28 GLU HA H 4.190 0.030 1 205 28 28 GLU HB2 H 2.182 0.030 1 206 28 28 GLU HB3 H 2.182 0.030 1 207 28 28 GLU HG2 H 2.373 0.030 2 208 28 28 GLU HG3 H 2.190 0.030 2 209 28 28 GLU C C 177.106 0.300 1 210 28 28 GLU CA C 58.138 0.300 1 211 28 28 GLU CB C 30.756 0.300 1 212 28 28 GLU CG C 35.997 0.300 1 213 28 28 GLU N N 119.193 0.300 1 214 29 29 THR H H 8.971 0.030 1 215 29 29 THR HA H 4.321 0.030 1 216 29 29 THR HB H 4.055 0.030 1 217 29 29 THR HG2 H 1.002 0.030 1 218 29 29 THR C C 170.526 0.300 1 219 29 29 THR CA C 59.885 0.300 1 220 29 29 THR CB C 69.656 0.300 1 221 29 29 THR CG2 C 19.902 0.300 1 222 29 29 THR N N 116.904 0.300 1 223 30 30 LYS H H 7.942 0.030 1 224 30 30 LYS HA H 3.765 0.030 1 225 30 30 LYS HB2 H 0.919 0.030 2 226 30 30 LYS HB3 H 1.345 0.030 2 227 30 30 LYS HD2 H 0.084 0.030 1 228 30 30 LYS HD3 H 0.084 0.030 1 229 30 30 LYS HE2 H 1.885 0.030 2 230 30 30 LYS HE3 H 1.610 0.030 2 231 30 30 LYS HG2 H 0.097 0.030 2 232 30 30 LYS HG3 H 0.734 0.030 2 233 30 30 LYS C C 175.844 0.300 1 234 30 30 LYS CA C 56.583 0.300 1 235 30 30 LYS CB C 32.421 0.300 1 236 30 30 LYS CD C 27.728 0.300 1 237 30 30 LYS CE C 41.338 0.300 1 238 30 30 LYS CG C 24.246 0.300 1 239 30 30 LYS N N 123.132 0.300 1 240 31 31 TYR H H 7.788 0.030 1 241 31 31 TYR HA H 4.608 0.030 1 242 31 31 TYR HB2 H 2.993 0.030 2 243 31 31 TYR HB3 H 2.613 0.030 2 244 31 31 TYR HD1 H 7.052 0.030 1 245 31 31 TYR HD2 H 7.052 0.030 1 246 31 31 TYR HE1 H 6.829 0.030 1 247 31 31 TYR HE2 H 6.829 0.030 1 248 31 31 TYR C C 172.687 0.300 1 249 31 31 TYR CA C 54.864 0.300 1 250 31 31 TYR CB C 38.777 0.300 1 251 31 31 TYR CD1 C 133.685 0.300 1 252 31 31 TYR CD2 C 133.685 0.300 1 253 31 31 TYR CE1 C 118.160 0.300 1 254 31 31 TYR CE2 C 118.160 0.300 1 255 31 31 TYR N N 113.626 0.300 1 256 32 32 PRO HA H 4.399 0.030 1 257 32 32 PRO HB2 H 1.624 0.030 2 258 32 32 PRO HB3 H 1.484 0.030 2 259 32 32 PRO HD2 H 3.029 0.030 1 260 32 32 PRO HD3 H 3.029 0.030 1 261 32 32 PRO HG2 H 1.042 0.030 2 262 32 32 PRO HG3 H 0.286 0.030 2 263 32 32 PRO C C 177.203 0.300 1 264 32 32 PRO CA C 62.668 0.300 1 265 32 32 PRO CB C 31.394 0.300 1 266 32 32 PRO CD C 50.586 0.300 1 267 32 32 PRO CG C 25.827 0.300 1 268 33 33 ASP H H 8.548 0.030 1 269 33 33 ASP HA H 4.473 0.030 1 270 33 33 ASP HB2 H 2.817 0.030 2 271 33 33 ASP HB3 H 3.147 0.030 2 272 33 33 ASP C C 175.989 0.300 1 273 33 33 ASP CA C 52.775 0.300 1 274 33 33 ASP CB C 41.295 0.300 1 275 33 33 ASP N N 123.152 0.300 1 276 34 34 VAL H H 8.493 0.030 1 277 34 34 VAL HA H 3.522 0.030 1 278 34 34 VAL HB H 2.036 0.030 1 279 34 34 VAL HG1 H 0.960 0.030 1 280 34 34 VAL HG2 H 1.015 0.030 1 281 34 34 VAL C C 177.203 0.300 1 282 34 34 VAL CA C 66.618 0.300 1 283 34 34 VAL CB C 31.697 0.300 1 284 34 34 VAL CG1 C 19.968 0.300 2 285 34 34 VAL CG2 C 22.055 0.300 2 286 34 34 VAL N N 119.474 0.300 1 287 35 35 GLY H H 8.389 0.030 1 288 35 35 GLY HA2 H 3.901 0.030 1 289 35 35 GLY HA3 H 3.901 0.030 1 290 35 35 GLY C C 176.985 0.300 1 291 35 35 GLY CA C 46.976 0.300 1 292 35 35 GLY N N 109.478 0.300 1 293 36 36 THR H H 8.142 0.030 1 294 36 36 THR HA H 3.918 0.030 1 295 36 36 THR HB H 4.127 0.030 1 296 36 36 THR HG2 H 1.183 0.030 1 297 36 36 THR C C 177.616 0.300 1 298 36 36 THR CA C 66.957 0.300 1 299 36 36 THR CB C 67.887 0.300 1 300 36 36 THR CG2 C 22.304 0.300 1 301 36 36 THR N N 121.210 0.300 1 302 37 37 ARG H H 8.396 0.030 1 303 37 37 ARG HA H 3.712 0.030 1 304 37 37 ARG HB2 H 1.668 0.030 2 305 37 37 ARG HB3 H 2.219 0.030 2 306 37 37 ARG HD2 H 2.855 0.030 2 307 37 37 ARG HD3 H 3.256 0.030 2 308 37 37 ARG HE H 8.175 0.030 1 309 37 37 ARG HG2 H 0.681 0.030 2 310 37 37 ARG HG3 H 1.831 0.030 2 311 37 37 ARG C C 177.980 0.300 1 312 37 37 ARG CA C 61.187 0.300 1 313 37 37 ARG CB C 31.250 0.300 1 314 37 37 ARG CD C 43.812 0.300 1 315 37 37 ARG CG C 29.544 0.300 1 316 37 37 ARG N N 121.196 0.300 1 317 37 37 ARG NE N 93.196 0.300 1 318 38 38 GLU H H 8.843 0.030 1 319 38 38 GLU HA H 3.905 0.030 1 320 38 38 GLU HB2 H 2.247 0.030 2 321 38 38 GLU HB3 H 2.098 0.030 2 322 38 38 GLU HG2 H 2.483 0.030 2 323 38 38 GLU HG3 H 2.188 0.030 2 324 38 38 GLU C C 178.636 0.300 1 325 38 38 GLU CA C 59.797 0.300 1 326 38 38 GLU CB C 29.529 0.300 1 327 38 38 GLU CG C 36.529 0.300 1 328 38 38 GLU N N 119.875 0.300 1 329 39 39 GLN H H 7.939 0.030 1 330 39 39 GLN HA H 3.977 0.030 1 331 39 39 GLN HB2 H 2.162 0.030 2 332 39 39 GLN HB3 H 2.202 0.030 2 333 39 39 GLN HE21 H 7.475 0.030 2 334 39 39 GLN HE22 H 6.881 0.030 2 335 39 39 GLN HG2 H 2.414 0.030 2 336 39 39 GLN HG3 H 2.552 0.030 2 337 39 39 GLN C C 178.782 0.300 1 338 39 39 GLN CA C 59.078 0.300 1 339 39 39 GLN CB C 28.426 0.300 1 340 39 39 GLN CG C 34.059 0.300 1 341 39 39 GLN N N 118.456 0.300 1 342 39 39 GLN NE2 N 112.133 0.300 1 343 40 40 LEU H H 7.515 0.030 1 344 40 40 LEU HA H 4.129 0.030 1 345 40 40 LEU HB2 H 1.772 0.030 1 346 40 40 LEU HB3 H 1.772 0.030 1 347 40 40 LEU HD1 H 0.888 0.030 1 348 40 40 LEU HD2 H 0.818 0.030 1 349 40 40 LEU HG H 1.597 0.030 1 350 40 40 LEU C C 178.150 0.300 1 351 40 40 LEU CA C 58.273 0.300 1 352 40 40 LEU CB C 41.194 0.300 1 353 40 40 LEU CD1 C 26.301 0.300 2 354 40 40 LEU CD2 C 26.581 0.300 2 355 40 40 LEU CG C 27.489 0.300 1 356 40 40 LEU N N 121.414 0.300 1 357 41 41 ALA H H 8.577 0.030 1 358 41 41 ALA HA H 3.650 0.030 1 359 41 41 ALA HB H 1.524 0.030 1 360 41 41 ALA C C 179.559 0.300 1 361 41 41 ALA CA C 55.925 0.300 1 362 41 41 ALA CB C 17.487 0.300 1 363 41 41 ALA N N 121.362 0.300 1 364 42 42 ARG H H 7.986 0.030 1 365 42 42 ARG HA H 4.083 0.030 1 366 42 42 ARG HB2 H 1.867 0.030 2 367 42 42 ARG HB3 H 1.903 0.030 2 368 42 42 ARG HD2 H 3.262 0.030 2 369 42 42 ARG HD3 H 3.178 0.030 2 370 42 42 ARG HG2 H 1.848 0.030 2 371 42 42 ARG HG3 H 1.699 0.030 2 372 42 42 ARG C C 179.000 0.300 1 373 42 42 ARG CA C 58.578 0.300 1 374 42 42 ARG CB C 30.495 0.300 1 375 42 42 ARG CD C 43.429 0.300 1 376 42 42 ARG CG C 27.852 0.300 1 377 42 42 ARG N N 114.579 0.300 1 378 43 43 LYS H H 7.706 0.030 1 379 43 43 LYS HA H 4.023 0.030 1 380 43 43 LYS HB2 H 2.017 0.030 1 381 43 43 LYS HB3 H 2.017 0.030 1 382 43 43 LYS HD2 H 1.626 0.030 2 383 43 43 LYS HD3 H 1.703 0.030 2 384 43 43 LYS HE2 H 2.934 0.030 1 385 43 43 LYS HE3 H 2.934 0.030 1 386 43 43 LYS HG2 H 1.377 0.030 2 387 43 43 LYS HG3 H 1.527 0.030 2 388 43 43 LYS C C 178.248 0.300 1 389 43 43 LYS CA C 59.177 0.300 1 390 43 43 LYS CB C 33.134 0.300 1 391 43 43 LYS CD C 29.406 0.300 1 392 43 43 LYS CE C 42.105 0.300 1 393 43 43 LYS CG C 25.055 0.300 1 394 43 43 LYS N N 119.896 0.300 1 395 44 44 VAL H H 7.681 0.030 1 396 44 44 VAL HA H 4.522 0.030 1 397 44 44 VAL HB H 2.478 0.030 1 398 44 44 VAL HG1 H 0.763 0.030 1 399 44 44 VAL HG2 H 0.784 0.030 1 400 44 44 VAL C C 174.654 0.300 1 401 44 44 VAL CA C 59.912 0.300 1 402 44 44 VAL CB C 30.979 0.300 1 403 44 44 VAL CG1 C 20.915 0.300 2 404 44 44 VAL CG2 C 18.707 0.300 2 405 44 44 VAL N N 105.042 0.300 1 406 45 45 HIS H H 7.398 0.030 1 407 45 45 HIS HA H 4.293 0.030 1 408 45 45 HIS HB2 H 3.195 0.030 2 409 45 45 HIS HB3 H 3.489 0.030 2 410 45 45 HIS HD2 H 7.023 0.030 1 411 45 45 HIS C C 174.144 0.300 1 412 45 45 HIS CA C 56.956 0.300 1 413 45 45 HIS CB C 26.353 0.300 1 414 45 45 HIS CD2 C 119.639 0.300 1 415 45 45 HIS N N 117.892 0.300 1 416 46 46 LEU H H 8.571 0.030 1 417 46 46 LEU HA H 4.855 0.030 1 418 46 46 LEU HB2 H 1.234 0.030 2 419 46 46 LEU HB3 H 1.472 0.030 2 420 46 46 LEU HD1 H 0.670 0.030 1 421 46 46 LEU HD2 H 0.971 0.030 1 422 46 46 LEU HG H 1.594 0.030 1 423 46 46 LEU C C 176.256 0.300 1 424 46 46 LEU CA C 52.689 0.300 1 425 46 46 LEU CB C 47.746 0.300 1 426 46 46 LEU CD1 C 26.226 0.300 2 427 46 46 LEU CD2 C 24.654 0.300 2 428 46 46 LEU CG C 26.989 0.300 1 429 46 46 LEU N N 119.288 0.300 1 430 47 47 ARG H H 7.979 0.030 1 431 47 47 ARG HA H 4.439 0.030 1 432 47 47 ARG HB2 H 1.681 0.030 2 433 47 47 ARG HB3 H 2.196 0.030 2 434 47 47 ARG HD2 H 3.272 0.030 2 435 47 47 ARG HD3 H 3.343 0.030 2 436 47 47 ARG HG2 H 1.796 0.030 2 437 47 47 ARG HG3 H 1.880 0.030 2 438 47 47 ARG C C 178.830 0.300 1 439 47 47 ARG CA C 55.871 0.300 1 440 47 47 ARG CB C 30.838 0.300 1 441 47 47 ARG CD C 43.143 0.300 1 442 47 47 ARG CG C 27.789 0.300 1 443 47 47 ARG N N 119.085 0.300 1 444 48 48 GLU H H 9.642 0.030 1 445 48 48 GLU HA H 3.644 0.030 1 446 48 48 GLU HB2 H 2.064 0.030 2 447 48 48 GLU HB3 H 2.187 0.030 2 448 48 48 GLU HG2 H 2.379 0.030 2 449 48 48 GLU HG3 H 2.191 0.030 2 450 48 48 GLU C C 178.515 0.300 1 451 48 48 GLU CA C 61.612 0.300 1 452 48 48 GLU CB C 28.860 0.300 1 453 48 48 GLU CG C 37.103 0.300 1 454 48 48 GLU N N 125.963 0.300 1 455 49 49 GLU H H 9.638 0.030 1 456 49 49 GLU HA H 4.239 0.030 1 457 49 49 GLU HB2 H 2.116 0.030 1 458 49 49 GLU HB3 H 2.116 0.030 1 459 49 49 GLU HG2 H 2.343 0.030 2 460 49 49 GLU HG3 H 2.427 0.030 2 461 49 49 GLU C C 178.927 0.300 1 462 49 49 GLU CA C 59.681 0.300 1 463 49 49 GLU CB C 28.531 0.300 1 464 49 49 GLU CG C 35.960 0.300 1 465 49 49 GLU N N 118.929 0.300 1 466 50 50 LYS H H 7.398 0.030 1 467 50 50 LYS HA H 4.318 0.030 1 468 50 50 LYS HB2 H 2.084 0.030 2 469 50 50 LYS HB3 H 2.214 0.030 2 470 50 50 LYS HD2 H 1.766 0.030 1 471 50 50 LYS HD3 H 1.766 0.030 1 472 50 50 LYS HE2 H 2.870 0.030 1 473 50 50 LYS HE3 H 2.870 0.030 1 474 50 50 LYS HG2 H 1.583 0.030 2 475 50 50 LYS HG3 H 1.751 0.030 2 476 50 50 LYS C C 179.486 0.300 1 477 50 50 LYS CA C 58.084 0.300 1 478 50 50 LYS CB C 32.487 0.300 1 479 50 50 LYS CD C 28.970 0.300 1 480 50 50 LYS CE C 42.156 0.300 1 481 50 50 LYS CG C 25.600 0.300 1 482 50 50 LYS N N 117.569 0.300 1 483 51 51 VAL H H 7.614 0.030 1 484 51 51 VAL HA H 3.739 0.030 1 485 51 51 VAL HB H 2.601 0.030 1 486 51 51 VAL HG1 H 1.102 0.030 1 487 51 51 VAL HG2 H 0.989 0.030 1 488 51 51 VAL C C 177.641 0.300 1 489 51 51 VAL CA C 66.900 0.300 1 490 51 51 VAL CB C 31.876 0.300 1 491 51 51 VAL CG1 C 21.880 0.300 2 492 51 51 VAL CG2 C 23.440 0.300 2 493 51 51 VAL N N 120.291 0.300 1 494 52 52 GLU H H 8.274 0.030 1 495 52 52 GLU HA H 4.198 0.030 1 496 52 52 GLU HB2 H 2.177 0.030 2 497 52 52 GLU HB3 H 2.262 0.030 2 498 52 52 GLU HG2 H 2.280 0.030 2 499 52 52 GLU C C 179.073 0.300 1 500 52 52 GLU CA C 60.434 0.300 1 501 52 52 GLU CB C 29.073 0.300 1 502 52 52 GLU CG C 35.701 0.300 1 503 52 52 GLU N N 120.105 0.300 1 504 53 53 VAL H H 7.936 0.030 1 505 53 53 VAL HA H 3.692 0.030 1 506 53 53 VAL HB H 2.264 0.030 1 507 53 53 VAL HG1 H 1.105 0.030 1 508 53 53 VAL HG2 H 1.229 0.030 1 509 53 53 VAL C C 177.592 0.300 1 510 53 53 VAL CA C 66.935 0.300 1 511 53 53 VAL CB C 32.273 0.300 1 512 53 53 VAL CG1 C 21.492 0.300 2 513 53 53 VAL CG2 C 23.429 0.300 2 514 53 53 VAL N N 119.238 0.300 1 515 54 54 TRP H H 8.321 0.030 1 516 54 54 TRP HA H 4.083 0.030 1 517 54 54 TRP HB2 H 3.301 0.030 2 518 54 54 TRP HB3 H 3.491 0.030 2 519 54 54 TRP HD1 H 6.705 0.030 1 520 54 54 TRP HE1 H 9.321 0.030 1 521 54 54 TRP HE3 H 5.528 0.030 1 522 54 54 TRP HH2 H 6.465 0.030 1 523 54 54 TRP HZ2 H 7.186 0.030 1 524 54 54 TRP HZ3 H 6.558 0.030 1 525 54 54 TRP C C 179.802 0.300 1 526 54 54 TRP CA C 63.129 0.300 1 527 54 54 TRP CB C 28.635 0.300 1 528 54 54 TRP CD1 C 127.090 0.300 1 529 54 54 TRP CE3 C 121.162 0.300 1 530 54 54 TRP CH2 C 123.659 0.300 1 531 54 54 TRP CZ2 C 114.062 0.300 1 532 54 54 TRP CZ3 C 121.266 0.300 1 533 54 54 TRP N N 121.382 0.300 1 534 54 54 TRP NE1 N 128.288 0.300 1 535 55 55 PHE H H 8.834 0.030 1 536 55 55 PHE HA H 3.676 0.030 1 537 55 55 PHE HB2 H 3.408 0.030 2 538 55 55 PHE HB3 H 3.230 0.030 2 539 55 55 PHE HD1 H 7.726 0.030 1 540 55 55 PHE HD2 H 7.726 0.030 1 541 55 55 PHE HE1 H 7.568 0.030 1 542 55 55 PHE HE2 H 7.568 0.030 1 543 55 55 PHE HZ H 7.390 0.030 1 544 55 55 PHE C C 178.150 0.300 1 545 55 55 PHE CA C 64.096 0.300 1 546 55 55 PHE CB C 39.358 0.300 1 547 55 55 PHE CD1 C 131.781 0.300 1 548 55 55 PHE CD2 C 131.781 0.300 1 549 55 55 PHE CE1 C 131.919 0.300 1 550 55 55 PHE CE2 C 131.919 0.300 1 551 55 55 PHE CZ C 130.186 0.300 1 552 55 55 PHE N N 118.755 0.300 1 553 56 56 LYS H H 8.241 0.030 1 554 56 56 LYS HA H 3.977 0.030 1 555 56 56 LYS HB2 H 2.003 0.030 1 556 56 56 LYS HB3 H 2.003 0.030 1 557 56 56 LYS HD2 H 1.752 0.030 2 558 56 56 LYS HE2 H 3.023 0.030 2 559 56 56 LYS HG2 H 1.442 0.030 2 560 56 56 LYS C C 180.166 0.300 1 561 56 56 LYS CA C 60.744 0.300 1 562 56 56 LYS CB C 32.322 0.300 1 563 56 56 LYS CD C 29.863 0.300 1 564 56 56 LYS CE C 42.132 0.300 1 565 56 56 LYS CG C 25.636 0.300 1 566 56 56 LYS N N 120.065 0.300 1 567 57 57 ASN H H 8.084 0.030 1 568 57 57 ASN HA H 4.367 0.030 1 569 57 57 ASN HB2 H 2.506 0.030 2 570 57 57 ASN HB3 H 2.670 0.030 2 571 57 57 ASN HD21 H 7.557 0.030 2 572 57 57 ASN HD22 H 6.976 0.030 2 573 57 57 ASN C C 177.422 0.300 1 574 57 57 ASN CA C 55.660 0.300 1 575 57 57 ASN CB C 38.008 0.300 1 576 57 57 ASN N N 118.967 0.300 1 577 57 57 ASN ND2 N 113.475 0.300 1 578 58 58 ARG H H 8.575 0.030 1 579 58 58 ARG HA H 3.463 0.030 1 580 58 58 ARG HB2 H -0.578 0.030 2 581 58 58 ARG HB3 H 0.646 0.030 2 582 58 58 ARG HD2 H 2.022 0.030 2 583 58 58 ARG HD3 H 2.359 0.030 2 584 58 58 ARG HE H 9.557 0.030 1 585 58 58 ARG HG2 H -0.254 0.030 2 586 58 58 ARG HG3 H -0.589 0.030 2 587 58 58 ARG C C 180.044 0.300 1 588 58 58 ARG CA C 56.568 0.300 1 589 58 58 ARG CB C 28.155 0.300 1 590 58 58 ARG CD C 40.549 0.300 1 591 58 58 ARG CG C 24.138 0.300 1 592 58 58 ARG N N 124.441 0.300 1 593 58 58 ARG NE N 89.298 0.300 1 594 59 59 ARG H H 8.490 0.030 1 595 59 59 ARG HA H 4.334 0.030 1 596 59 59 ARG HB2 H 1.977 0.030 2 597 59 59 ARG HB3 H 2.294 0.030 2 598 59 59 ARG HD2 H 2.784 0.030 2 599 59 59 ARG HD3 H 2.823 0.030 2 600 59 59 ARG HG2 H 1.413 0.030 2 601 59 59 ARG C C 178.223 0.300 1 602 59 59 ARG CA C 60.699 0.300 1 603 59 59 ARG CB C 31.905 0.300 1 604 59 59 ARG CD C 43.860 0.300 1 605 59 59 ARG CG C 31.470 0.300 1 606 59 59 ARG N N 118.847 0.300 1 607 60 60 ALA H H 7.459 0.030 1 608 60 60 ALA HA H 4.225 0.030 1 609 60 60 ALA HB H 1.528 0.030 1 610 60 60 ALA C C 179.680 0.300 1 611 60 60 ALA CA C 55.051 0.300 1 612 60 60 ALA CB C 17.817 0.300 1 613 60 60 ALA N N 121.387 0.300 1 614 61 61 LYS H H 7.452 0.030 1 615 61 61 LYS HA H 4.042 0.030 1 616 61 61 LYS HB2 H 1.780 0.030 1 617 61 61 LYS HB3 H 1.780 0.030 1 618 61 61 LYS HD2 H 1.517 0.030 2 619 61 61 LYS HE2 H 2.847 0.030 2 620 61 61 LYS HG2 H 1.291 0.030 2 621 61 61 LYS HG3 H 1.419 0.030 2 622 61 61 LYS C C 178.078 0.300 1 623 61 61 LYS CA C 58.472 0.300 1 624 61 61 LYS CB C 32.734 0.300 1 625 61 61 LYS CD C 29.405 0.300 1 626 61 61 LYS CE C 42.073 0.300 1 627 61 61 LYS CG C 24.878 0.300 1 628 61 61 LYS N N 118.087 0.300 1 629 62 62 TRP H H 8.008 0.030 1 630 62 62 TRP HA H 4.632 0.030 1 631 62 62 TRP HB2 H 3.775 0.030 2 632 62 62 TRP HB3 H 3.380 0.030 2 633 62 62 TRP HD1 H 7.471 0.030 1 634 62 62 TRP HE1 H 10.330 0.030 1 635 62 62 TRP HE3 H 7.741 0.030 1 636 62 62 TRP HH2 H 7.318 0.030 1 637 62 62 TRP HZ2 H 7.533 0.030 1 638 62 62 TRP HZ3 H 7.155 0.030 1 639 62 62 TRP C C 177.471 0.300 1 640 62 62 TRP CA C 59.120 0.300 1 641 62 62 TRP CB C 29.366 0.300 1 642 62 62 TRP CD1 C 127.179 0.300 1 643 62 62 TRP CE3 C 120.006 0.300 1 644 62 62 TRP CH2 C 124.684 0.300 1 645 62 62 TRP CZ2 C 114.714 0.300 1 646 62 62 TRP CZ3 C 121.788 0.300 1 647 62 62 TRP N N 121.749 0.300 1 648 62 62 TRP NE1 N 130.753 0.300 1 649 63 63 ARG H H 8.286 0.030 1 650 63 63 ARG HA H 3.736 0.030 1 651 63 63 ARG HB2 H 1.758 0.030 1 652 63 63 ARG HB3 H 1.758 0.030 1 653 63 63 ARG HD2 H 3.055 0.030 1 654 63 63 ARG HD3 H 3.055 0.030 1 655 63 63 ARG HG2 H 1.453 0.030 2 656 63 63 ARG HG3 H 1.657 0.030 2 657 63 63 ARG C C 176.888 0.300 1 658 63 63 ARG CA C 57.385 0.300 1 659 63 63 ARG CB C 30.726 0.300 1 660 63 63 ARG CD C 43.272 0.300 1 661 63 63 ARG CG C 27.570 0.300 1 662 63 63 ARG N N 119.622 0.300 1 663 64 64 ARG H H 7.670 0.030 1 664 64 64 ARG HA H 4.196 0.030 1 665 64 64 ARG HB2 H 1.852 0.030 1 666 64 64 ARG HB3 H 1.852 0.030 1 667 64 64 ARG HD2 H 3.268 0.030 2 668 64 64 ARG HG2 H 1.676 0.030 2 669 64 64 ARG C C 176.645 0.300 1 670 64 64 ARG CA C 56.956 0.300 1 671 64 64 ARG CB C 30.369 0.300 1 672 64 64 ARG CD C 43.468 0.300 1 673 64 64 ARG CG C 27.532 0.300 1 674 64 64 ARG N N 119.096 0.300 1 675 65 65 SER H H 7.962 0.030 1 676 65 65 SER HA H 4.474 0.030 1 677 65 65 SER HB2 H 3.908 0.030 1 678 65 65 SER HB3 H 3.908 0.030 1 679 65 65 SER C C 174.435 0.300 1 680 65 65 SER CA C 58.837 0.300 1 681 65 65 SER CB C 63.947 0.300 1 682 65 65 SER N N 115.352 0.300 1 683 66 66 GLY H H 8.031 0.030 1 684 66 66 GLY HA2 H 4.068 0.030 2 685 66 66 GLY C C 171.813 0.300 1 686 66 66 GLY CA C 44.800 0.300 1 687 66 66 GLY N N 110.503 0.300 1 688 67 67 PRO HA H 4.456 0.030 1 689 67 67 PRO HB2 H 2.268 0.030 2 690 67 67 PRO HB3 H 1.974 0.030 2 691 67 67 PRO HD2 H 3.597 0.030 2 692 67 67 PRO HG2 H 1.969 0.030 2 693 67 67 PRO CA C 63.352 0.300 1 694 67 67 PRO CB C 32.167 0.300 1 695 67 67 PRO CD C 49.843 0.300 1 696 67 67 PRO CG C 27.140 0.300 1 697 68 68 SER HA H 4.457 0.030 1 698 68 68 SER HB2 H 3.887 0.030 1 699 68 68 SER HB3 H 3.887 0.030 1 700 68 68 SER C C 174.654 0.300 1 701 68 68 SER CA C 58.612 0.300 1 702 68 68 SER CB C 63.845 0.300 1 703 69 69 SER HA H 4.491 0.030 1 704 69 69 SER HB2 H 3.870 0.030 1 705 69 69 SER HB3 H 3.870 0.030 1 706 69 69 SER C C 173.925 0.300 1 707 69 69 SER CA C 58.423 0.300 1 708 69 69 SER CB C 63.969 0.300 1 709 70 70 GLY H H 8.045 0.030 1 710 70 70 GLY C C 179.000 0.300 1 711 70 70 GLY CA C 46.271 0.300 1 712 70 70 GLY N N 116.786 0.300 1 stop_ save_