data_11230 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 6th Ig-like domain from human KIAA1556 ; _BMRB_accession_number 11230 _BMRB_flat_file_name bmr11230.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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" 533 "13C chemical shifts" 407 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 6th Ig-like domain from human KIAA1556' _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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 Obscurin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ig-like domain, residues 8-97' $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 'Ig-like domain, residues 8-97' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; GSSGSSGPVRFQEALKDLEV LEGGAATLRCVLSSVAAPVK WCYGNNVLRPGDKYSLRQEG AMLELVVRNLRPQDSGRYSC SFGDQTTSATLTVTALPSGP SSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 VAL 10 ARG 11 PHE 12 GLN 13 GLU 14 ALA 15 LEU 16 LYS 17 ASP 18 LEU 19 GLU 20 VAL 21 LEU 22 GLU 23 GLY 24 GLY 25 ALA 26 ALA 27 THR 28 LEU 29 ARG 30 CYS 31 VAL 32 LEU 33 SER 34 SER 35 VAL 36 ALA 37 ALA 38 PRO 39 VAL 40 LYS 41 TRP 42 CYS 43 TYR 44 GLY 45 ASN 46 ASN 47 VAL 48 LEU 49 ARG 50 PRO 51 GLY 52 ASP 53 LYS 54 TYR 55 SER 56 LEU 57 ARG 58 GLN 59 GLU 60 GLY 61 ALA 62 MET 63 LEU 64 GLU 65 LEU 66 VAL 67 VAL 68 ARG 69 ASN 70 LEU 71 ARG 72 PRO 73 GLN 74 ASP 75 SER 76 GLY 77 ARG 78 TYR 79 SER 80 CYS 81 SER 82 PHE 83 GLY 84 ASP 85 GLN 86 THR 87 THR 88 SER 89 ALA 90 THR 91 LEU 92 THR 93 VAL 94 THR 95 ALA 96 LEU 97 PRO 98 SER 99 GLY 100 PRO 101 SER 102 SER 103 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2E7B "Solution Structure Of The 6th Ig-Like Domain From Human Kiaa1556" 100.00 103 100.00 100.00 7.40e-67 PDB 2YZ8 "Crystal Structure Of The 32th Ig-Like Domain Of Human Obscurin (Kiaa1556)" 100.00 103 99.03 99.03 1.30e-65 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' 'E. coli' Escherichia coli . plasmid P051017-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.39mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.39 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 293 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'Ig-like domain, residues 8-97' _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 8 8 PRO HA H 4.420 0.030 1 2 8 8 PRO HB2 H 1.830 0.030 2 3 8 8 PRO HB3 H 2.256 0.030 2 4 8 8 PRO HD2 H 3.591 0.030 1 5 8 8 PRO HD3 H 3.591 0.030 1 6 8 8 PRO HG2 H 1.937 0.030 2 7 8 8 PRO HG3 H 2.007 0.030 2 8 8 8 PRO C C 176.515 0.300 1 9 8 8 PRO CA C 62.803 0.300 1 10 8 8 PRO CB C 32.128 0.300 1 11 8 8 PRO CD C 49.717 0.300 1 12 8 8 PRO CG C 27.146 0.300 1 13 9 9 VAL H H 8.243 0.030 1 14 9 9 VAL HA H 3.526 0.030 1 15 9 9 VAL HB H 1.806 0.030 1 16 9 9 VAL HG1 H 0.728 0.030 1 17 9 9 VAL HG2 H 0.393 0.030 1 18 9 9 VAL C C 174.867 0.300 1 19 9 9 VAL CA C 63.747 0.300 1 20 9 9 VAL CB C 31.804 0.300 1 21 9 9 VAL CG1 C 21.470 0.300 2 22 9 9 VAL CG2 C 22.491 0.300 2 23 9 9 VAL N N 122.732 0.300 1 24 10 10 ARG H H 8.391 0.030 1 25 10 10 ARG HA H 4.502 0.030 1 26 10 10 ARG HB2 H 1.725 0.030 1 27 10 10 ARG HB3 H 1.725 0.030 1 28 10 10 ARG HD2 H 3.105 0.030 2 29 10 10 ARG HD3 H 3.177 0.030 2 30 10 10 ARG HG2 H 1.298 0.030 2 31 10 10 ARG HG3 H 1.526 0.030 2 32 10 10 ARG C C 174.743 0.300 1 33 10 10 ARG CA C 53.350 0.300 1 34 10 10 ARG CB C 33.500 0.300 1 35 10 10 ARG CD C 43.249 0.300 1 36 10 10 ARG CG C 26.189 0.300 1 37 10 10 ARG N N 124.586 0.300 1 38 11 11 PHE H H 9.083 0.030 1 39 11 11 PHE HA H 4.547 0.030 1 40 11 11 PHE HB2 H 2.859 0.030 2 41 11 11 PHE HB3 H 2.630 0.030 2 42 11 11 PHE HD1 H 7.013 0.030 1 43 11 11 PHE HD2 H 7.013 0.030 1 44 11 11 PHE HE1 H 7.093 0.030 1 45 11 11 PHE HE2 H 7.093 0.030 1 46 11 11 PHE HZ H 6.661 0.030 1 47 11 11 PHE C C 175.181 0.300 1 48 11 11 PHE CA C 60.352 0.300 1 49 11 11 PHE CB C 37.139 0.300 1 50 11 11 PHE CD1 C 131.018 0.300 1 51 11 11 PHE CD2 C 131.018 0.300 1 52 11 11 PHE CE1 C 131.840 0.300 1 53 11 11 PHE CE2 C 131.840 0.300 1 54 11 11 PHE CZ C 129.169 0.300 1 55 11 11 PHE N N 117.952 0.300 1 56 12 12 GLN H H 8.606 0.030 1 57 12 12 GLN HA H 4.176 0.030 1 58 12 12 GLN HB2 H 1.788 0.030 2 59 12 12 GLN HB3 H 1.565 0.030 2 60 12 12 GLN HE21 H 7.611 0.030 2 61 12 12 GLN HE22 H 6.825 0.030 2 62 12 12 GLN HG2 H 2.240 0.030 1 63 12 12 GLN HG3 H 2.240 0.030 1 64 12 12 GLN C C 176.208 0.300 1 65 12 12 GLN CA C 56.991 0.300 1 66 12 12 GLN CB C 30.380 0.300 1 67 12 12 GLN CG C 33.256 0.300 1 68 12 12 GLN N N 129.516 0.300 1 69 12 12 GLN NE2 N 111.982 0.300 1 70 13 13 GLU H H 8.039 0.030 1 71 13 13 GLU HA H 4.694 0.030 1 72 13 13 GLU HB2 H 1.793 0.030 2 73 13 13 GLU HB3 H 2.080 0.030 2 74 13 13 GLU HG2 H 2.252 0.030 2 75 13 13 GLU HG3 H 2.181 0.030 2 76 13 13 GLU C C 174.826 0.300 1 77 13 13 GLU CA C 55.585 0.300 1 78 13 13 GLU CB C 31.433 0.300 1 79 13 13 GLU CG C 35.630 0.300 1 80 13 13 GLU N N 117.056 0.300 1 81 14 14 ALA H H 8.433 0.030 1 82 14 14 ALA HA H 4.171 0.030 1 83 14 14 ALA HB H 1.493 0.030 1 84 14 14 ALA C C 178.011 0.300 1 85 14 14 ALA CA C 51.145 0.300 1 86 14 14 ALA CB C 20.747 0.300 1 87 14 14 ALA N N 126.648 0.300 1 88 15 15 LEU H H 7.759 0.030 1 89 15 15 LEU HA H 4.256 0.030 1 90 15 15 LEU HB2 H 1.274 0.030 2 91 15 15 LEU HB3 H 1.334 0.030 2 92 15 15 LEU HD1 H 0.805 0.030 1 93 15 15 LEU HD2 H 1.039 0.030 1 94 15 15 LEU HG H 1.417 0.030 1 95 15 15 LEU C C 176.109 0.300 1 96 15 15 LEU CA C 55.593 0.300 1 97 15 15 LEU CB C 44.089 0.300 1 98 15 15 LEU CD1 C 26.163 0.300 2 99 15 15 LEU CD2 C 23.727 0.300 2 100 15 15 LEU CG C 26.893 0.300 1 101 15 15 LEU N N 119.117 0.300 1 102 16 16 LYS H H 8.189 0.030 1 103 16 16 LYS HA H 4.696 0.030 1 104 16 16 LYS HB2 H 1.891 0.030 2 105 16 16 LYS HB3 H 1.721 0.030 2 106 16 16 LYS HD2 H 1.745 0.030 2 107 16 16 LYS HD3 H 1.772 0.030 2 108 16 16 LYS HE2 H 3.096 0.030 1 109 16 16 LYS HE3 H 3.096 0.030 1 110 16 16 LYS HG2 H 1.538 0.030 1 111 16 16 LYS HG3 H 1.538 0.030 1 112 16 16 LYS C C 175.098 0.300 1 113 16 16 LYS CA C 54.346 0.300 1 114 16 16 LYS CB C 35.557 0.300 1 115 16 16 LYS CD C 29.195 0.300 1 116 16 16 LYS CE C 42.232 0.300 1 117 16 16 LYS CG C 24.416 0.300 1 118 16 16 LYS N N 120.023 0.300 1 119 17 17 ASP H H 8.298 0.030 1 120 17 17 ASP HA H 4.701 0.030 1 121 17 17 ASP HB2 H 2.765 0.030 2 122 17 17 ASP HB3 H 2.578 0.030 2 123 17 17 ASP C C 175.989 0.300 1 124 17 17 ASP CA C 55.308 0.300 1 125 17 17 ASP CB C 40.970 0.300 1 126 17 17 ASP N N 121.403 0.300 1 127 18 18 LEU H H 8.197 0.030 1 128 18 18 LEU HA H 4.802 0.030 1 129 18 18 LEU HB2 H 1.602 0.030 2 130 18 18 LEU HB3 H 1.477 0.030 2 131 18 18 LEU HD1 H 0.874 0.030 1 132 18 18 LEU HD2 H 0.892 0.030 1 133 18 18 LEU HG H 1.603 0.030 1 134 18 18 LEU C C 174.196 0.300 1 135 18 18 LEU CA C 54.779 0.300 1 136 18 18 LEU CB C 46.639 0.300 1 137 18 18 LEU CD1 C 25.558 0.300 2 138 18 18 LEU CD2 C 24.631 0.300 2 139 18 18 LEU CG C 26.782 0.300 1 140 18 18 LEU N N 120.834 0.300 1 141 19 19 GLU H H 8.374 0.030 1 142 19 19 GLU HA H 5.538 0.030 1 143 19 19 GLU HB2 H 1.905 0.030 1 144 19 19 GLU HB3 H 1.905 0.030 1 145 19 19 GLU HG2 H 2.018 0.030 2 146 19 19 GLU HG3 H 2.167 0.030 2 147 19 19 GLU C C 175.394 0.300 1 148 19 19 GLU CA C 54.569 0.300 1 149 19 19 GLU CB C 31.576 0.300 1 150 19 19 GLU CG C 36.211 0.300 1 151 19 19 GLU N N 124.682 0.300 1 152 20 20 VAL H H 8.666 0.030 1 153 20 20 VAL HA H 4.457 0.030 1 154 20 20 VAL HB H 1.757 0.030 1 155 20 20 VAL HG1 H 0.928 0.030 1 156 20 20 VAL HG2 H 0.753 0.030 1 157 20 20 VAL C C 173.532 0.300 1 158 20 20 VAL CA C 59.817 0.300 1 159 20 20 VAL CB C 36.266 0.300 1 160 20 20 VAL CG1 C 22.321 0.300 2 161 20 20 VAL CG2 C 21.520 0.300 2 162 20 20 VAL N N 122.913 0.300 1 163 21 21 LEU H H 7.994 0.030 1 164 21 21 LEU HA H 4.487 0.030 1 165 21 21 LEU HB2 H 1.493 0.030 2 166 21 21 LEU HB3 H 1.591 0.030 2 167 21 21 LEU HD1 H 0.847 0.030 1 168 21 21 LEU HD2 H 0.869 0.030 1 169 21 21 LEU HG H 1.862 0.030 1 170 21 21 LEU C C 176.772 0.300 1 171 21 21 LEU CA C 55.038 0.300 1 172 21 21 LEU CB C 43.733 0.300 1 173 21 21 LEU CD1 C 24.673 0.300 2 174 21 21 LEU CD2 C 24.401 0.300 2 175 21 21 LEU CG C 26.574 0.300 1 176 21 21 LEU N N 125.053 0.300 1 177 22 22 GLU H H 8.313 0.030 1 178 22 22 GLU HA H 3.460 0.030 1 179 22 22 GLU HB2 H 2.080 0.030 2 180 22 22 GLU HB3 H 1.806 0.030 2 181 22 22 GLU HG2 H 2.294 0.030 1 182 22 22 GLU HG3 H 2.294 0.030 1 183 22 22 GLU C C 174.851 0.300 1 184 22 22 GLU CA C 57.193 0.300 1 185 22 22 GLU CB C 30.244 0.300 1 186 22 22 GLU CG C 35.216 0.300 1 187 22 22 GLU N N 121.290 0.300 1 188 23 23 GLY H H 9.051 0.030 1 189 23 23 GLY HA2 H 4.415 0.030 2 190 23 23 GLY HA3 H 3.654 0.030 2 191 23 23 GLY C C 175.292 0.300 1 192 23 23 GLY CA C 44.645 0.300 1 193 23 23 GLY N N 111.956 0.300 1 194 24 24 GLY H H 7.597 0.030 1 195 24 24 GLY HA2 H 3.750 0.030 2 196 24 24 GLY HA3 H 4.398 0.030 2 197 24 24 GLY C C 170.244 0.300 1 198 24 24 GLY CA C 44.325 0.300 1 199 24 24 GLY N N 108.904 0.300 1 200 25 25 ALA H H 7.964 0.030 1 201 25 25 ALA HA H 5.280 0.030 1 202 25 25 ALA HB H 1.146 0.030 1 203 25 25 ALA C C 176.931 0.300 1 204 25 25 ALA CA C 50.091 0.300 1 205 25 25 ALA CB C 21.745 0.300 1 206 25 25 ALA N N 120.474 0.300 1 207 26 26 ALA H H 8.767 0.030 1 208 26 26 ALA HA H 4.730 0.030 1 209 26 26 ALA HB H 1.139 0.030 1 210 26 26 ALA C C 175.091 0.300 1 211 26 26 ALA CA C 49.991 0.300 1 212 26 26 ALA CB C 23.077 0.300 1 213 26 26 ALA N N 123.922 0.300 1 214 27 27 THR H H 8.301 0.030 1 215 27 27 THR HA H 4.858 0.030 1 216 27 27 THR HB H 3.862 0.030 1 217 27 27 THR HG2 H 0.948 0.030 1 218 27 27 THR C C 173.124 0.300 1 219 27 27 THR CA C 62.025 0.300 1 220 27 27 THR CB C 69.379 0.300 1 221 27 27 THR CG2 C 21.363 0.300 1 222 27 27 THR N N 117.287 0.300 1 223 28 28 LEU H H 9.578 0.030 1 224 28 28 LEU HA H 4.557 0.030 1 225 28 28 LEU HB2 H 1.623 0.030 2 226 28 28 LEU HB3 H 1.708 0.030 2 227 28 28 LEU HD1 H 0.758 0.030 1 228 28 28 LEU HD2 H 0.476 0.030 1 229 28 28 LEU HG H 1.517 0.030 1 230 28 28 LEU C C 174.435 0.300 1 231 28 28 LEU CA C 55.281 0.300 1 232 28 28 LEU CB C 42.816 0.300 1 233 28 28 LEU CD1 C 25.825 0.300 2 234 28 28 LEU CD2 C 25.477 0.300 2 235 28 28 LEU CG C 28.890 0.300 1 236 28 28 LEU N N 131.066 0.300 1 237 29 29 ARG H H 7.931 0.030 1 238 29 29 ARG HA H 5.849 0.030 1 239 29 29 ARG HB2 H 1.804 0.030 2 240 29 29 ARG HB3 H 1.690 0.030 2 241 29 29 ARG HD2 H 3.177 0.030 1 242 29 29 ARG HD3 H 3.177 0.030 1 243 29 29 ARG HE H 7.632 0.030 1 244 29 29 ARG HG2 H 1.643 0.030 2 245 29 29 ARG HG3 H 1.547 0.030 2 246 29 29 ARG C C 174.999 0.300 1 247 29 29 ARG CA C 54.455 0.300 1 248 29 29 ARG CB C 34.772 0.300 1 249 29 29 ARG CD C 43.667 0.300 1 250 29 29 ARG CG C 28.105 0.300 1 251 29 29 ARG N N 120.670 0.300 1 252 29 29 ARG NE N 85.500 0.300 1 253 30 30 CYS H H 9.226 0.030 1 254 30 30 CYS HA H 4.770 0.030 1 255 30 30 CYS HB2 H 3.243 0.030 2 256 30 30 CYS HB3 H 2.916 0.030 2 257 30 30 CYS C C 172.054 0.300 1 258 30 30 CYS CA C 56.592 0.300 1 259 30 30 CYS CB C 30.629 0.300 1 260 30 30 CYS N N 117.659 0.300 1 261 31 31 VAL H H 8.608 0.030 1 262 31 31 VAL HA H 5.195 0.030 1 263 31 31 VAL HB H 1.745 0.030 1 264 31 31 VAL HG1 H 0.904 0.030 1 265 31 31 VAL HG2 H 1.017 0.030 1 266 31 31 VAL C C 177.014 0.300 1 267 31 31 VAL CA C 61.449 0.300 1 268 31 31 VAL CB C 36.946 0.300 1 269 31 31 VAL CG1 C 21.752 0.300 2 270 31 31 VAL CG2 C 21.048 0.300 2 271 31 31 VAL N N 116.831 0.300 1 272 32 32 LEU H H 9.143 0.030 1 273 32 32 LEU HA H 4.649 0.030 1 274 32 32 LEU HB2 H 1.429 0.030 2 275 32 32 LEU HB3 H 1.833 0.030 2 276 32 32 LEU HD1 H 0.495 0.030 1 277 32 32 LEU HD2 H -0.255 0.030 1 278 32 32 LEU HG H 1.478 0.030 1 279 32 32 LEU C C 176.965 0.300 1 280 32 32 LEU CA C 54.510 0.300 1 281 32 32 LEU CB C 45.602 0.300 1 282 32 32 LEU CD1 C 26.252 0.300 2 283 32 32 LEU CD2 C 22.193 0.300 2 284 32 32 LEU CG C 26.409 0.300 1 285 32 32 LEU N N 128.633 0.300 1 286 33 33 SER H H 9.045 0.030 1 287 33 33 SER HA H 4.027 0.030 1 288 33 33 SER HB2 H 3.638 0.030 2 289 33 33 SER HB3 H 4.140 0.030 2 290 33 33 SER C C 173.748 0.300 1 291 33 33 SER CA C 60.253 0.300 1 292 33 33 SER CB C 63.060 0.300 1 293 33 33 SER N N 113.094 0.300 1 294 34 34 SER H H 7.279 0.030 1 295 34 34 SER HA H 4.360 0.030 1 296 34 34 SER HB2 H 3.644 0.030 2 297 34 34 SER HB3 H 3.727 0.030 2 298 34 34 SER C C 171.432 0.300 1 299 34 34 SER CA C 56.775 0.300 1 300 34 34 SER CB C 64.725 0.300 1 301 34 34 SER N N 113.673 0.300 1 302 35 35 VAL H H 8.083 0.030 1 303 35 35 VAL HA H 3.124 0.030 1 304 35 35 VAL HB H 1.867 0.030 1 305 35 35 VAL HG1 H 0.863 0.030 1 306 35 35 VAL HG2 H 0.725 0.030 1 307 35 35 VAL C C 174.584 0.300 1 308 35 35 VAL CA C 65.625 0.300 1 309 35 35 VAL CB C 30.617 0.300 1 310 35 35 VAL CG1 C 21.418 0.300 2 311 35 35 VAL CG2 C 20.882 0.300 2 312 35 35 VAL N N 118.031 0.300 1 313 36 36 ALA H H 6.743 0.030 1 314 36 36 ALA HA H 4.297 0.030 1 315 36 36 ALA HB H 0.537 0.030 1 316 36 36 ALA C C 173.336 0.300 1 317 36 36 ALA CA C 51.106 0.300 1 318 36 36 ALA CB C 21.907 0.300 1 319 36 36 ALA N N 130.018 0.300 1 320 37 37 ALA H H 7.934 0.030 1 321 37 37 ALA HA H 4.409 0.030 1 322 37 37 ALA HB H 1.389 0.030 1 323 37 37 ALA C C 174.444 0.300 1 324 37 37 ALA CA C 50.703 0.300 1 325 37 37 ALA CB C 21.366 0.300 1 326 37 37 ALA N N 118.927 0.300 1 327 38 38 PRO HA H 4.942 0.030 1 328 38 38 PRO HB2 H 2.463 0.030 2 329 38 38 PRO HB3 H 2.240 0.030 2 330 38 38 PRO HD2 H 3.633 0.030 2 331 38 38 PRO HD3 H 3.718 0.030 2 332 38 38 PRO HG2 H 2.083 0.030 2 333 38 38 PRO HG3 H 1.932 0.030 2 334 38 38 PRO C C 175.872 0.300 1 335 38 38 PRO CA C 62.326 0.300 1 336 38 38 PRO CB C 34.779 0.300 1 337 38 38 PRO CD C 50.182 0.300 1 338 38 38 PRO CG C 24.068 0.300 1 339 39 39 VAL H H 8.438 0.030 1 340 39 39 VAL HA H 5.128 0.030 1 341 39 39 VAL HB H 2.205 0.030 1 342 39 39 VAL HG1 H 0.935 0.030 1 343 39 39 VAL HG2 H 0.803 0.030 1 344 39 39 VAL C C 175.692 0.300 1 345 39 39 VAL CA C 59.875 0.300 1 346 39 39 VAL CB C 33.642 0.300 1 347 39 39 VAL CG1 C 21.396 0.300 2 348 39 39 VAL CG2 C 18.282 0.300 2 349 39 39 VAL N N 112.042 0.300 1 350 40 40 LYS H H 8.724 0.030 1 351 40 40 LYS HA H 4.816 0.030 1 352 40 40 LYS HB2 H 1.686 0.030 1 353 40 40 LYS HB3 H 1.686 0.030 1 354 40 40 LYS HD2 H 1.581 0.030 1 355 40 40 LYS HD3 H 1.581 0.030 1 356 40 40 LYS HE2 H 2.828 0.030 1 357 40 40 LYS HE3 H 2.828 0.030 1 358 40 40 LYS HG2 H 1.285 0.030 2 359 40 40 LYS HG3 H 1.501 0.030 2 360 40 40 LYS C C 175.110 0.300 1 361 40 40 LYS CA C 55.292 0.300 1 362 40 40 LYS CB C 35.943 0.300 1 363 40 40 LYS CD C 29.473 0.300 1 364 40 40 LYS CE C 41.668 0.300 1 365 40 40 LYS CG C 24.607 0.300 1 366 40 40 LYS N N 123.111 0.300 1 367 41 41 TRP H H 9.562 0.030 1 368 41 41 TRP HA H 5.805 0.030 1 369 41 41 TRP HB2 H 3.007 0.030 2 370 41 41 TRP HB3 H 3.140 0.030 2 371 41 41 TRP HD1 H 7.206 0.030 1 372 41 41 TRP HE1 H 10.928 0.030 1 373 41 41 TRP HE3 H 7.505 0.030 1 374 41 41 TRP HH2 H 6.831 0.030 1 375 41 41 TRP HZ2 H 7.073 0.030 1 376 41 41 TRP HZ3 H 6.701 0.030 1 377 41 41 TRP C C 176.374 0.300 1 378 41 41 TRP CA C 56.177 0.300 1 379 41 41 TRP CB C 32.266 0.300 1 380 41 41 TRP CD1 C 127.452 0.300 1 381 41 41 TRP CE3 C 121.267 0.300 1 382 41 41 TRP CH2 C 124.466 0.300 1 383 41 41 TRP CZ2 C 115.165 0.300 1 384 41 41 TRP CZ3 C 120.889 0.300 1 385 41 41 TRP N N 129.188 0.300 1 386 41 41 TRP NE1 N 131.300 0.300 1 387 42 42 CYS H H 9.302 0.030 1 388 42 42 CYS HA H 5.553 0.030 1 389 42 42 CYS HB2 H 2.580 0.030 2 390 42 42 CYS HB3 H 2.689 0.030 2 391 42 42 CYS C C 173.434 0.300 1 392 42 42 CYS CA C 57.009 0.300 1 393 42 42 CYS CB C 33.113 0.300 1 394 42 42 CYS N N 116.744 0.300 1 395 43 43 TYR H H 8.362 0.030 1 396 43 43 TYR HA H 4.772 0.030 1 397 43 43 TYR HB2 H 2.697 0.030 1 398 43 43 TYR HB3 H 2.697 0.030 1 399 43 43 TYR HD1 H 6.279 0.030 1 400 43 43 TYR HD2 H 6.279 0.030 1 401 43 43 TYR HE1 H 6.436 0.030 1 402 43 43 TYR HE2 H 6.436 0.030 1 403 43 43 TYR C C 176.711 0.300 1 404 43 43 TYR CA C 55.281 0.300 1 405 43 43 TYR CB C 40.757 0.300 1 406 43 43 TYR CD1 C 132.724 0.300 1 407 43 43 TYR CD2 C 132.724 0.300 1 408 43 43 TYR CE1 C 117.245 0.300 1 409 43 43 TYR CE2 C 117.245 0.300 1 410 43 43 TYR N N 121.603 0.300 1 411 44 44 GLY H H 8.740 0.030 1 412 44 44 GLY HA2 H 3.603 0.030 2 413 44 44 GLY HA3 H 3.352 0.030 2 414 44 44 GLY CA C 47.060 0.300 1 415 44 44 GLY N N 118.953 0.300 1 416 45 45 ASN HA H 4.674 0.030 1 417 45 45 ASN HB2 H 2.666 0.030 2 418 45 45 ASN HB3 H 2.897 0.030 2 419 45 45 ASN HD21 H 7.523 0.030 2 420 45 45 ASN HD22 H 6.862 0.030 2 421 45 45 ASN C C 174.585 0.300 1 422 45 45 ASN CA C 52.995 0.300 1 423 45 45 ASN CB C 38.604 0.300 1 424 45 45 ASN ND2 N 112.785 0.300 1 425 46 46 ASN H H 8.214 0.030 1 426 46 46 ASN HA H 4.858 0.030 1 427 46 46 ASN HB2 H 3.047 0.030 2 428 46 46 ASN HB3 H 2.766 0.030 2 429 46 46 ASN HD21 H 7.404 0.030 2 430 46 46 ASN HD22 H 7.052 0.030 2 431 46 46 ASN C C 173.973 0.300 1 432 46 46 ASN CA C 53.025 0.300 1 433 46 46 ASN CB C 40.137 0.300 1 434 46 46 ASN N N 119.351 0.300 1 435 46 46 ASN ND2 N 114.190 0.300 1 436 47 47 VAL H H 8.653 0.030 1 437 47 47 VAL HA H 4.441 0.030 1 438 47 47 VAL HB H 1.979 0.030 1 439 47 47 VAL HG1 H 1.037 0.030 1 440 47 47 VAL HG2 H 1.037 0.030 1 441 47 47 VAL C C 176.524 0.300 1 442 47 47 VAL CA C 63.031 0.300 1 443 47 47 VAL CB C 32.145 0.300 1 444 47 47 VAL CG1 C 22.493 0.300 2 445 47 47 VAL CG2 C 21.450 0.300 2 446 47 47 VAL N N 125.139 0.300 1 447 48 48 LEU H H 8.907 0.030 1 448 48 48 LEU HA H 4.352 0.030 1 449 48 48 LEU HB2 H 0.569 0.030 2 450 48 48 LEU HB3 H 1.491 0.030 2 451 48 48 LEU HD1 H 0.339 0.030 1 452 48 48 LEU HD2 H 0.452 0.030 1 453 48 48 LEU HG H 1.458 0.030 1 454 48 48 LEU C C 175.656 0.300 1 455 48 48 LEU CA C 54.246 0.300 1 456 48 48 LEU CB C 41.810 0.300 1 457 48 48 LEU CD1 C 20.946 0.300 2 458 48 48 LEU CD2 C 26.005 0.300 2 459 48 48 LEU CG C 26.007 0.300 1 460 48 48 LEU N N 128.163 0.300 1 461 49 49 ARG H H 8.188 0.030 1 462 49 49 ARG HA H 4.898 0.030 1 463 49 49 ARG HB2 H 1.738 0.030 2 464 49 49 ARG HB3 H 1.961 0.030 2 465 49 49 ARG HD2 H 3.297 0.030 1 466 49 49 ARG HD3 H 3.297 0.030 1 467 49 49 ARG HG2 H 1.724 0.030 1 468 49 49 ARG HG3 H 1.724 0.030 1 469 49 49 ARG C C 173.070 0.300 1 470 49 49 ARG CA C 52.339 0.300 1 471 49 49 ARG CB C 31.326 0.300 1 472 49 49 ARG CD C 43.203 0.300 1 473 49 49 ARG CG C 26.816 0.300 1 474 49 49 ARG N N 120.376 0.300 1 475 50 50 PRO HA H 4.577 0.030 1 476 50 50 PRO HB2 H 2.532 0.030 2 477 50 50 PRO HB3 H 2.116 0.030 2 478 50 50 PRO HD2 H 3.781 0.030 2 479 50 50 PRO HD3 H 3.842 0.030 2 480 50 50 PRO HG2 H 2.306 0.030 2 481 50 50 PRO HG3 H 2.127 0.030 2 482 50 50 PRO C C 177.241 0.300 1 483 50 50 PRO CA C 62.561 0.300 1 484 50 50 PRO CB C 32.585 0.300 1 485 50 50 PRO CD C 50.682 0.300 1 486 50 50 PRO CG C 28.028 0.300 1 487 51 51 GLY H H 8.767 0.030 1 488 51 51 GLY HA2 H 4.241 0.030 2 489 51 51 GLY HA3 H 4.044 0.030 2 490 51 51 GLY C C 172.954 0.300 1 491 51 51 GLY CA C 46.441 0.300 1 492 51 51 GLY N N 112.050 0.300 1 493 52 52 ASP HA H 4.294 0.030 1 494 52 52 ASP HB2 H 2.556 0.030 2 495 52 52 ASP HB3 H 2.598 0.030 2 496 52 52 ASP C C 176.992 0.300 1 497 52 52 ASP CA C 56.561 0.300 1 498 52 52 ASP CB C 40.544 0.300 1 499 53 53 LYS H H 7.980 0.030 1 500 53 53 LYS HA H 4.052 0.030 1 501 53 53 LYS HB2 H 1.361 0.030 2 502 53 53 LYS HB3 H 1.236 0.030 2 503 53 53 LYS HD2 H 1.682 0.030 2 504 53 53 LYS HD3 H 1.236 0.030 2 505 53 53 LYS HE2 H 2.400 0.030 2 506 53 53 LYS HE3 H 2.850 0.030 2 507 53 53 LYS HG2 H 0.738 0.030 2 508 53 53 LYS HG3 H 0.284 0.030 2 509 53 53 LYS C C 173.696 0.300 1 510 53 53 LYS CA C 56.492 0.300 1 511 53 53 LYS CB C 34.482 0.300 1 512 53 53 LYS CD C 28.185 0.300 1 513 53 53 LYS CE C 42.853 0.300 1 514 53 53 LYS CG C 24.130 0.300 1 515 53 53 LYS N N 120.345 0.300 1 516 54 54 TYR H H 7.305 0.030 1 517 54 54 TYR HA H 5.653 0.030 1 518 54 54 TYR HB2 H 2.738 0.030 2 519 54 54 TYR HB3 H 2.624 0.030 2 520 54 54 TYR HD1 H 7.222 0.030 1 521 54 54 TYR HD2 H 7.222 0.030 1 522 54 54 TYR HE1 H 6.807 0.030 1 523 54 54 TYR HE2 H 6.807 0.030 1 524 54 54 TYR C C 175.732 0.300 1 525 54 54 TYR CA C 54.782 0.300 1 526 54 54 TYR CB C 40.441 0.300 1 527 54 54 TYR CD1 C 133.854 0.300 1 528 54 54 TYR CD2 C 133.854 0.300 1 529 54 54 TYR CE1 C 118.029 0.300 1 530 54 54 TYR CE2 C 118.029 0.300 1 531 54 54 TYR N N 113.603 0.300 1 532 55 55 SER H H 8.920 0.030 1 533 55 55 SER HA H 4.892 0.030 1 534 55 55 SER HB2 H 3.558 0.030 2 535 55 55 SER HB3 H 3.793 0.030 2 536 55 55 SER C C 172.691 0.300 1 537 55 55 SER CA C 56.921 0.300 1 538 55 55 SER CB C 64.414 0.300 1 539 55 55 SER N N 116.273 0.300 1 540 56 56 LEU H H 8.347 0.030 1 541 56 56 LEU HA H 5.013 0.030 1 542 56 56 LEU HB2 H 1.553 0.030 2 543 56 56 LEU HB3 H 1.658 0.030 2 544 56 56 LEU HD1 H 0.612 0.030 1 545 56 56 LEU HD2 H 0.710 0.030 1 546 56 56 LEU HG H 1.332 0.030 1 547 56 56 LEU C C 176.114 0.300 1 548 56 56 LEU CA C 54.767 0.300 1 549 56 56 LEU CB C 43.882 0.300 1 550 56 56 LEU CD1 C 25.158 0.300 2 551 56 56 LEU CD2 C 27.080 0.300 2 552 56 56 LEU CG C 28.835 0.300 1 553 56 56 LEU N N 127.445 0.300 1 554 57 57 ARG H H 9.142 0.030 1 555 57 57 ARG HA H 4.780 0.030 1 556 57 57 ARG HB2 H 1.757 0.030 2 557 57 57 ARG HB3 H 1.818 0.030 2 558 57 57 ARG HD2 H 3.076 0.030 2 559 57 57 ARG HD3 H 3.190 0.030 2 560 57 57 ARG HG2 H 1.478 0.030 1 561 57 57 ARG HG3 H 1.478 0.030 1 562 57 57 ARG C C 174.630 0.300 1 563 57 57 ARG CA C 55.336 0.300 1 564 57 57 ARG CB C 34.482 0.300 1 565 57 57 ARG CD C 43.528 0.300 1 566 57 57 ARG CG C 27.829 0.300 1 567 57 57 ARG N N 122.447 0.300 1 568 58 58 GLN H H 8.767 0.030 1 569 58 58 GLN HA H 5.283 0.030 1 570 58 58 GLN HB2 H 1.993 0.030 2 571 58 58 GLN HB3 H 1.918 0.030 2 572 58 58 GLN HE21 H 7.451 0.030 2 573 58 58 GLN HE22 H 7.178 0.030 2 574 58 58 GLN HG2 H 2.404 0.030 2 575 58 58 GLN HG3 H 2.311 0.030 2 576 58 58 GLN C C 174.428 0.300 1 577 58 58 GLN CA C 54.925 0.300 1 578 58 58 GLN CB C 29.914 0.300 1 579 58 58 GLN CG C 32.937 0.300 1 580 58 58 GLN N N 125.700 0.300 1 581 58 58 GLN NE2 N 108.223 0.300 1 582 59 59 GLU H H 9.048 0.030 1 583 59 59 GLU HA H 4.630 0.030 1 584 59 59 GLU HB2 H 1.817 0.030 2 585 59 59 GLU HB3 H 2.019 0.030 2 586 59 59 GLU HG2 H 2.150 0.030 1 587 59 59 GLU HG3 H 2.150 0.030 1 588 59 59 GLU C C 176.065 0.300 1 589 59 59 GLU CA C 54.564 0.300 1 590 59 59 GLU CB C 30.864 0.300 1 591 59 59 GLU CG C 35.755 0.300 1 592 59 59 GLU N N 129.348 0.300 1 593 60 60 GLY HA2 H 4.017 0.030 2 594 60 60 GLY HA3 H 3.516 0.030 2 595 60 60 GLY C C 173.260 0.300 1 596 60 60 GLY CA C 47.525 0.300 1 597 61 61 ALA H H 9.118 0.030 1 598 61 61 ALA HA H 4.145 0.030 1 599 61 61 ALA HB H 1.286 0.030 1 600 61 61 ALA C C 175.164 0.300 1 601 61 61 ALA CA C 52.290 0.300 1 602 61 61 ALA CB C 19.236 0.300 1 603 61 61 ALA N N 131.266 0.300 1 604 62 62 MET H H 8.087 0.030 1 605 62 62 MET HA H 4.627 0.030 1 606 62 62 MET HB2 H 2.396 0.030 2 607 62 62 MET HB3 H 2.223 0.030 2 608 62 62 MET HE H 1.983 0.030 1 609 62 62 MET HG2 H 2.673 0.030 2 610 62 62 MET HG3 H 2.457 0.030 2 611 62 62 MET C C 173.983 0.300 1 612 62 62 MET CA C 56.483 0.300 1 613 62 62 MET CB C 33.197 0.300 1 614 62 62 MET CE C 16.836 0.300 1 615 62 62 MET CG C 32.060 0.300 1 616 62 62 MET N N 118.659 0.300 1 617 63 63 LEU H H 9.094 0.030 1 618 63 63 LEU HA H 5.202 0.030 1 619 63 63 LEU HB2 H 2.464 0.030 2 620 63 63 LEU HB3 H 1.948 0.030 2 621 63 63 LEU HD1 H 1.031 0.030 1 622 63 63 LEU HD2 H 1.008 0.030 1 623 63 63 LEU HG H 1.899 0.030 1 624 63 63 LEU C C 175.932 0.300 1 625 63 63 LEU CA C 53.620 0.300 1 626 63 63 LEU CB C 43.299 0.300 1 627 63 63 LEU CD1 C 25.897 0.300 2 628 63 63 LEU CD2 C 23.954 0.300 2 629 63 63 LEU CG C 27.500 0.300 1 630 63 63 LEU N N 128.293 0.300 1 631 64 64 GLU H H 8.710 0.030 1 632 64 64 GLU HA H 5.501 0.030 1 633 64 64 GLU HB2 H 1.823 0.030 2 634 64 64 GLU HB3 H 1.882 0.030 2 635 64 64 GLU HG2 H 2.050 0.030 2 636 64 64 GLU HG3 H 1.869 0.030 2 637 64 64 GLU C C 173.066 0.300 1 638 64 64 GLU CA C 54.727 0.300 1 639 64 64 GLU CB C 35.743 0.300 1 640 64 64 GLU CG C 38.372 0.300 1 641 64 64 GLU N N 120.455 0.300 1 642 65 65 LEU H H 8.578 0.030 1 643 65 65 LEU HA H 4.650 0.030 1 644 65 65 LEU HB2 H 0.554 0.030 2 645 65 65 LEU HB3 H -1.117 0.030 2 646 65 65 LEU HD1 H 0.361 0.030 1 647 65 65 LEU HD2 H 0.446 0.030 1 648 65 65 LEU HG H 0.908 0.030 1 649 65 65 LEU C C 174.566 0.300 1 650 65 65 LEU CA C 52.580 0.300 1 651 65 65 LEU CB C 42.387 0.300 1 652 65 65 LEU CD1 C 23.606 0.300 2 653 65 65 LEU CD2 C 27.572 0.300 2 654 65 65 LEU CG C 27.345 0.300 1 655 65 65 LEU N N 128.611 0.300 1 656 66 66 VAL H H 8.999 0.030 1 657 66 66 VAL HA H 5.073 0.030 1 658 66 66 VAL HB H 1.777 0.030 1 659 66 66 VAL HG1 H 0.829 0.030 1 660 66 66 VAL HG2 H 0.653 0.030 1 661 66 66 VAL C C 175.620 0.300 1 662 66 66 VAL CA C 60.188 0.300 1 663 66 66 VAL CB C 33.896 0.300 1 664 66 66 VAL CG1 C 20.905 0.300 2 665 66 66 VAL CG2 C 20.850 0.300 2 666 66 66 VAL N N 126.288 0.300 1 667 67 67 VAL H H 8.883 0.030 1 668 67 67 VAL HA H 4.429 0.030 1 669 67 67 VAL HB H 1.819 0.030 1 670 67 67 VAL HG1 H 0.827 0.030 1 671 67 67 VAL HG2 H 0.659 0.030 1 672 67 67 VAL C C 175.359 0.300 1 673 67 67 VAL CA C 61.101 0.300 1 674 67 67 VAL CB C 32.688 0.300 1 675 67 67 VAL CG1 C 22.373 0.300 2 676 67 67 VAL CG2 C 19.837 0.300 2 677 67 67 VAL N N 126.877 0.300 1 678 68 68 ARG H H 8.442 0.030 1 679 68 68 ARG HA H 4.284 0.030 1 680 68 68 ARG HB2 H 1.679 0.030 1 681 68 68 ARG HB3 H 1.679 0.030 1 682 68 68 ARG HD2 H 3.029 0.030 1 683 68 68 ARG HD3 H 3.029 0.030 1 684 68 68 ARG HG2 H 1.427 0.030 1 685 68 68 ARG HG3 H 1.427 0.030 1 686 68 68 ARG C C 174.977 0.300 1 687 68 68 ARG CA C 55.859 0.300 1 688 68 68 ARG CB C 32.443 0.300 1 689 68 68 ARG CD C 43.186 0.300 1 690 68 68 ARG CG C 28.799 0.300 1 691 68 68 ARG N N 123.517 0.300 1 692 69 69 ASN H H 8.636 0.030 1 693 69 69 ASN HA H 4.040 0.030 1 694 69 69 ASN HB2 H 2.503 0.030 2 695 69 69 ASN HB3 H 2.740 0.030 2 696 69 69 ASN HD21 H 7.724 0.030 2 697 69 69 ASN HD22 H 6.838 0.030 2 698 69 69 ASN C C 174.836 0.300 1 699 69 69 ASN CA C 53.428 0.300 1 700 69 69 ASN CB C 37.267 0.300 1 701 69 69 ASN N N 117.344 0.300 1 702 69 69 ASN ND2 N 113.715 0.300 1 703 70 70 LEU H H 8.276 0.030 1 704 70 70 LEU HA H 4.021 0.030 1 705 70 70 LEU HB2 H 1.148 0.030 2 706 70 70 LEU HB3 H 1.499 0.030 2 707 70 70 LEU HD1 H 0.641 0.030 1 708 70 70 LEU HD2 H 0.597 0.030 1 709 70 70 LEU HG H 1.612 0.030 1 710 70 70 LEU C C 178.414 0.300 1 711 70 70 LEU CA C 55.956 0.300 1 712 70 70 LEU CB C 43.500 0.300 1 713 70 70 LEU CD1 C 23.675 0.300 2 714 70 70 LEU CD2 C 27.062 0.300 2 715 70 70 LEU CG C 26.708 0.300 1 716 70 70 LEU N N 115.821 0.300 1 717 71 71 ARG H H 9.441 0.030 1 718 71 71 ARG HA H 4.872 0.030 1 719 71 71 ARG HB2 H 2.123 0.030 2 720 71 71 ARG HB3 H 1.560 0.030 2 721 71 71 ARG HD2 H 3.200 0.030 2 722 71 71 ARG HD3 H 3.311 0.030 2 723 71 71 ARG HG2 H 1.766 0.030 2 724 71 71 ARG HG3 H 1.812 0.030 2 725 71 71 ARG C C 174.923 0.300 1 726 71 71 ARG CA C 52.723 0.300 1 727 71 71 ARG CB C 31.410 0.300 1 728 71 71 ARG CD C 43.358 0.300 1 729 71 71 ARG CG C 25.918 0.300 1 730 71 71 ARG N N 123.249 0.300 1 731 72 72 PRO HA H 4.254 0.030 1 732 72 72 PRO HB2 H 1.922 0.030 2 733 72 72 PRO HB3 H 2.478 0.030 2 734 72 72 PRO HD2 H 3.791 0.030 2 735 72 72 PRO HD3 H 3.683 0.030 2 736 72 72 PRO HG2 H 1.661 0.030 2 737 72 72 PRO HG3 H 2.301 0.030 2 738 72 72 PRO C C 178.627 0.300 1 739 72 72 PRO CA C 66.521 0.300 1 740 72 72 PRO CB C 31.668 0.300 1 741 72 72 PRO CD C 50.321 0.300 1 742 72 72 PRO CG C 28.578 0.300 1 743 73 73 GLN H H 8.799 0.030 1 744 73 73 GLN HA H 4.323 0.030 1 745 73 73 GLN HB2 H 2.085 0.030 2 746 73 73 GLN HB3 H 2.177 0.030 2 747 73 73 GLN HE21 H 7.721 0.030 2 748 73 73 GLN HE22 H 6.955 0.030 2 749 73 73 GLN HG2 H 2.450 0.030 1 750 73 73 GLN HG3 H 2.450 0.030 1 751 73 73 GLN C C 175.752 0.300 1 752 73 73 GLN CA C 58.350 0.300 1 753 73 73 GLN CB C 27.725 0.300 1 754 73 73 GLN CG C 34.060 0.300 1 755 73 73 GLN N N 114.399 0.300 1 756 73 73 GLN NE2 N 112.424 0.300 1 757 74 74 ASP H H 8.495 0.030 1 758 74 74 ASP HA H 4.634 0.030 1 759 74 74 ASP HB2 H 2.900 0.030 2 760 74 74 ASP HB3 H 2.571 0.030 2 761 74 74 ASP C C 176.381 0.300 1 762 74 74 ASP CA C 55.807 0.300 1 763 74 74 ASP CB C 41.437 0.300 1 764 74 74 ASP N N 118.194 0.300 1 765 75 75 SER H H 7.905 0.030 1 766 75 75 SER HA H 4.722 0.030 1 767 75 75 SER HB2 H 4.100 0.030 2 768 75 75 SER HB3 H 4.414 0.030 2 769 75 75 SER C C 174.153 0.300 1 770 75 75 SER CA C 60.173 0.300 1 771 75 75 SER CB C 64.526 0.300 1 772 75 75 SER N N 115.906 0.300 1 773 76 76 GLY H H 9.612 0.030 1 774 76 76 GLY HA2 H 4.837 0.030 2 775 76 76 GLY HA3 H 4.021 0.030 2 776 76 76 GLY C C 171.199 0.300 1 777 76 76 GLY CA C 44.867 0.300 1 778 76 76 GLY N N 113.396 0.300 1 779 77 77 ARG H H 8.497 0.030 1 780 77 77 ARG HA H 5.054 0.030 1 781 77 77 ARG HB2 H 1.693 0.030 2 782 77 77 ARG HB3 H 1.622 0.030 2 783 77 77 ARG HD2 H 3.053 0.030 1 784 77 77 ARG HD3 H 3.053 0.030 1 785 77 77 ARG HG2 H 1.505 0.030 2 786 77 77 ARG HG3 H 1.417 0.030 2 787 77 77 ARG C C 175.647 0.300 1 788 77 77 ARG CA C 55.659 0.300 1 789 77 77 ARG CB C 31.235 0.300 1 790 77 77 ARG CD C 43.199 0.300 1 791 77 77 ARG CG C 27.125 0.300 1 792 77 77 ARG N N 122.050 0.300 1 793 78 78 TYR H H 9.456 0.030 1 794 78 78 TYR HA H 5.496 0.030 1 795 78 78 TYR HB2 H 2.810 0.030 1 796 78 78 TYR HB3 H 2.810 0.030 1 797 78 78 TYR HD1 H 7.138 0.030 1 798 78 78 TYR HD2 H 7.138 0.030 1 799 78 78 TYR HE1 H 6.612 0.030 1 800 78 78 TYR HE2 H 6.612 0.030 1 801 78 78 TYR C C 174.837 0.300 1 802 78 78 TYR CA C 56.982 0.300 1 803 78 78 TYR CB C 42.101 0.300 1 804 78 78 TYR CD1 C 132.812 0.300 1 805 78 78 TYR CD2 C 132.812 0.300 1 806 78 78 TYR CE1 C 117.863 0.300 1 807 78 78 TYR CE2 C 117.863 0.300 1 808 78 78 TYR N N 128.367 0.300 1 809 79 79 SER H H 9.274 0.030 1 810 79 79 SER HA H 5.422 0.030 1 811 79 79 SER HB2 H 3.555 0.030 2 812 79 79 SER HB3 H 3.591 0.030 2 813 79 79 SER C C 171.622 0.300 1 814 79 79 SER CA C 56.047 0.300 1 815 79 79 SER CB C 67.442 0.300 1 816 79 79 SER N N 112.857 0.300 1 817 80 80 CYS H H 8.642 0.030 1 818 80 80 CYS HA H 4.619 0.030 1 819 80 80 CYS HB2 H 0.808 0.030 2 820 80 80 CYS HB3 H 1.480 0.030 2 821 80 80 CYS C C 173.036 0.300 1 822 80 80 CYS CA C 57.497 0.300 1 823 80 80 CYS CB C 28.401 0.300 1 824 80 80 CYS N N 122.336 0.300 1 825 81 81 SER H H 8.836 0.030 1 826 81 81 SER HA H 5.837 0.030 1 827 81 81 SER HB2 H 3.582 0.030 2 828 81 81 SER HB3 H 3.846 0.030 2 829 81 81 SER C C 172.993 0.300 1 830 81 81 SER CA C 57.255 0.300 1 831 81 81 SER CB C 67.049 0.300 1 832 81 81 SER N N 121.325 0.300 1 833 82 82 PHE H H 8.770 0.030 1 834 82 82 PHE HA H 4.559 0.030 1 835 82 82 PHE HB2 H 2.752 0.030 2 836 82 82 PHE HB3 H 2.398 0.030 2 837 82 82 PHE HD1 H 6.957 0.030 1 838 82 82 PHE HD2 H 6.957 0.030 1 839 82 82 PHE HE1 H 7.007 0.030 1 840 82 82 PHE HE2 H 7.007 0.030 1 841 82 82 PHE HZ H 7.186 0.030 1 842 82 82 PHE C C 175.205 0.300 1 843 82 82 PHE CA C 58.323 0.300 1 844 82 82 PHE CB C 41.748 0.300 1 845 82 82 PHE CD1 C 131.422 0.300 1 846 82 82 PHE CD2 C 131.422 0.300 1 847 82 82 PHE CE1 C 131.028 0.300 1 848 82 82 PHE CE2 C 131.028 0.300 1 849 82 82 PHE CZ C 130.034 0.300 1 850 82 82 PHE N N 122.802 0.300 1 851 83 83 GLY H H 8.372 0.030 1 852 83 83 GLY HA2 H 3.325 0.030 2 853 83 83 GLY HA3 H 3.572 0.030 2 854 83 83 GLY C C 174.875 0.300 1 855 83 83 GLY CA C 46.953 0.300 1 856 83 83 GLY N N 118.011 0.300 1 857 84 84 ASP H H 8.509 0.030 1 858 84 84 ASP HA H 4.559 0.030 1 859 84 84 ASP HB2 H 2.938 0.030 2 860 84 84 ASP HB3 H 2.628 0.030 2 861 84 84 ASP C C 175.883 0.300 1 862 84 84 ASP CA C 53.765 0.300 1 863 84 84 ASP CB C 40.179 0.300 1 864 84 84 ASP N N 126.452 0.300 1 865 85 85 GLN H H 8.374 0.030 1 866 85 85 GLN HA H 4.692 0.030 1 867 85 85 GLN HB2 H 2.387 0.030 2 868 85 85 GLN HB3 H 2.383 0.030 2 869 85 85 GLN HE21 H 7.728 0.030 2 870 85 85 GLN HE22 H 7.004 0.030 2 871 85 85 GLN HG2 H 2.697 0.030 2 872 85 85 GLN HG3 H 2.763 0.030 2 873 85 85 GLN C C 175.636 0.300 1 874 85 85 GLN CA C 54.110 0.300 1 875 85 85 GLN CB C 30.367 0.300 1 876 85 85 GLN CG C 33.426 0.300 1 877 85 85 GLN N N 119.833 0.300 1 878 85 85 GLN NE2 N 116.369 0.300 1 879 86 86 THR H H 8.790 0.030 1 880 86 86 THR HA H 5.231 0.030 1 881 86 86 THR HB H 3.735 0.030 1 882 86 86 THR HG2 H 0.990 0.030 1 883 86 86 THR C C 172.853 0.300 1 884 86 86 THR CA C 61.741 0.300 1 885 86 86 THR CB C 72.498 0.300 1 886 86 86 THR CG2 C 21.520 0.300 1 887 86 86 THR N N 118.823 0.300 1 888 87 87 THR H H 8.580 0.030 1 889 87 87 THR HA H 4.731 0.030 1 890 87 87 THR HB H 3.486 0.030 1 891 87 87 THR HG2 H 0.071 0.030 1 892 87 87 THR C C 170.941 0.300 1 893 87 87 THR CA C 58.837 0.300 1 894 87 87 THR CB C 70.297 0.300 1 895 87 87 THR CG2 C 18.279 0.300 1 896 87 87 THR N N 123.344 0.300 1 897 88 88 SER H H 7.963 0.030 1 898 88 88 SER HA H 5.516 0.030 1 899 88 88 SER HB2 H 3.557 0.030 1 900 88 88 SER HB3 H 3.557 0.030 1 901 88 88 SER C C 171.842 0.300 1 902 88 88 SER CA C 57.284 0.300 1 903 88 88 SER CB C 66.606 0.300 1 904 88 88 SER N N 120.653 0.300 1 905 89 89 ALA H H 9.164 0.030 1 906 89 89 ALA HA H 4.594 0.030 1 907 89 89 ALA HB H 1.250 0.030 1 908 89 89 ALA C C 175.190 0.300 1 909 89 89 ALA CA C 51.572 0.300 1 910 89 89 ALA CB C 23.855 0.300 1 911 89 89 ALA N N 123.071 0.300 1 912 90 90 THR H H 9.141 0.030 1 913 90 90 THR HA H 4.962 0.030 1 914 90 90 THR HB H 3.883 0.030 1 915 90 90 THR HG2 H 1.066 0.030 1 916 90 90 THR C C 174.054 0.300 1 917 90 90 THR CA C 62.168 0.300 1 918 90 90 THR CB C 69.970 0.300 1 919 90 90 THR CG2 C 22.016 0.300 1 920 90 90 THR N N 116.037 0.300 1 921 91 91 LEU H H 9.491 0.030 1 922 91 91 LEU HA H 5.219 0.030 1 923 91 91 LEU HB2 H 1.162 0.030 2 924 91 91 LEU HB3 H 2.364 0.030 2 925 91 91 LEU HD1 H 0.498 0.030 1 926 91 91 LEU HD2 H 0.649 0.030 1 927 91 91 LEU HG H 1.332 0.030 1 928 91 91 LEU C C 175.672 0.300 1 929 91 91 LEU CA C 53.395 0.300 1 930 91 91 LEU CB C 44.926 0.300 1 931 91 91 LEU CD1 C 25.150 0.300 2 932 91 91 LEU CD2 C 24.586 0.300 2 933 91 91 LEU CG C 28.048 0.300 1 934 91 91 LEU N N 131.058 0.300 1 935 92 92 THR H H 9.227 0.030 1 936 92 92 THR HA H 4.441 0.030 1 937 92 92 THR HB H 3.989 0.030 1 938 92 92 THR HG2 H 1.153 0.030 1 939 92 92 THR C C 172.207 0.300 1 940 92 92 THR CA C 62.568 0.300 1 941 92 92 THR CB C 70.032 0.300 1 942 92 92 THR CG2 C 20.996 0.300 1 943 92 92 THR N N 125.674 0.300 1 944 93 93 VAL H H 8.579 0.030 1 945 93 93 VAL HA H 4.904 0.030 1 946 93 93 VAL HB H 1.934 0.030 1 947 93 93 VAL HG1 H 0.479 0.030 1 948 93 93 VAL HG2 H 0.717 0.030 1 949 93 93 VAL C C 175.933 0.300 1 950 93 93 VAL CA C 60.210 0.300 1 951 93 93 VAL CB C 32.210 0.300 1 952 93 93 VAL CG1 C 20.791 0.300 2 953 93 93 VAL CG2 C 21.228 0.300 2 954 93 93 VAL N N 127.972 0.300 1 955 94 94 THR H H 8.687 0.030 1 956 94 94 THR HA H 4.254 0.030 1 957 94 94 THR HB H 4.026 0.030 1 958 94 94 THR HG2 H 1.167 0.030 1 959 94 94 THR C C 173.188 0.300 1 960 94 94 THR CA C 61.456 0.300 1 961 94 94 THR CB C 69.713 0.300 1 962 94 94 THR CG2 C 22.308 0.300 1 963 94 94 THR N N 124.414 0.300 1 964 95 95 ALA H H 8.469 0.030 1 965 95 95 ALA HA H 4.476 0.030 1 966 95 95 ALA HB H 1.366 0.030 1 967 95 95 ALA C C 178.132 0.300 1 968 95 95 ALA CA C 51.677 0.300 1 969 95 95 ALA CB C 19.940 0.300 1 970 95 95 ALA N N 126.452 0.300 1 971 96 96 LEU H H 9.081 0.030 1 972 96 96 LEU HA H 4.418 0.030 1 973 96 96 LEU HB2 H 1.538 0.030 1 974 96 96 LEU HB3 H 1.538 0.030 1 975 96 96 LEU HD1 H 0.912 0.030 1 976 96 96 LEU HD2 H 0.976 0.030 1 977 96 96 LEU HG H 1.680 0.030 1 978 96 96 LEU C C 175.701 0.300 1 979 96 96 LEU CA C 53.373 0.300 1 980 96 96 LEU CB C 41.454 0.300 1 981 96 96 LEU CD1 C 25.316 0.300 2 982 96 96 LEU CD2 C 23.705 0.300 2 983 96 96 LEU CG C 27.275 0.300 1 984 96 96 LEU N N 123.802 0.300 1 985 97 97 PRO HA H 4.455 0.030 1 986 97 97 PRO HB2 H 2.321 0.030 2 987 97 97 PRO HB3 H 1.935 0.030 2 988 97 97 PRO HD2 H 3.664 0.030 2 989 97 97 PRO HD3 H 3.865 0.030 2 990 97 97 PRO HG2 H 2.049 0.030 1 991 97 97 PRO HG3 H 2.049 0.030 1 992 97 97 PRO C C 176.923 0.300 1 993 97 97 PRO CA C 63.196 0.300 1 994 97 97 PRO CB C 31.969 0.300 1 995 97 97 PRO CD C 50.507 0.300 1 996 97 97 PRO CG C 27.421 0.300 1 997 98 98 SER H H 8.415 0.030 1 998 98 98 SER HA H 4.471 0.030 1 999 98 98 SER HB2 H 3.883 0.030 1 1000 98 98 SER HB3 H 3.883 0.030 1 1001 98 98 SER C C 174.692 0.300 1 1002 98 98 SER CA C 58.147 0.300 1 1003 98 98 SER CB C 63.919 0.300 1 1004 98 98 SER N N 116.235 0.300 1 1005 99 99 GLY H H 8.238 0.030 1 1006 99 99 GLY HA2 H 4.094 0.030 1 1007 99 99 GLY HA3 H 4.094 0.030 1 1008 99 99 GLY C C 171.762 0.300 1 1009 99 99 GLY CA C 44.541 0.300 1 1010 99 99 GLY N N 110.713 0.300 1 1011 100 100 PRO HA H 4.674 0.030 1 1012 100 100 PRO HB2 H 2.174 0.030 2 1013 100 100 PRO HB3 H 2.409 0.030 2 1014 100 100 PRO HD2 H 3.583 0.030 2 1015 100 100 PRO HD3 H 3.533 0.030 2 1016 100 100 PRO HG2 H 1.950 0.030 2 1017 100 100 PRO HG3 H 1.857 0.030 2 1018 100 100 PRO CA C 62.572 0.300 1 1019 100 100 PRO CB C 34.695 0.300 1 1020 100 100 PRO CD C 50.354 0.300 1 1021 100 100 PRO CG C 24.725 0.300 1 1022 102 102 SER H H 8.212 0.030 1 1023 102 102 SER HA H 4.528 0.030 1 1024 102 102 SER HB2 H 3.898 0.030 1 1025 102 102 SER HB3 H 3.898 0.030 1 1026 102 102 SER C C 173.932 0.300 1 1027 102 102 SER CA C 58.412 0.300 1 1028 102 102 SER CB C 63.913 0.300 1 1029 103 103 GLY H H 8.074 0.030 1 1030 103 103 GLY HA2 H 3.764 0.030 2 1031 103 103 GLY HA3 H 3.802 0.030 2 1032 103 103 GLY C C 179.028 0.300 1 1033 103 103 GLY CA C 46.235 0.300 1 1034 103 103 GLY N N 116.925 0.300 1 stop_ save_