data_10085 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first RRM domain in heterogeneous nuclear ribonucleoprotein H ; _BMRB_accession_number 10085 _BMRB_flat_file_name bmr10085.str _Entry_type original _Submission_date 2007-01-24 _Accession_date 2007-01-24 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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" 572 "13C chemical shifts" 427 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the first RRM domain in heterogeneous nuclear ribonucleoprotein H ; _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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 'Heterogeneous nuclear ribonucleoprotein H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Heterogeneous nuclear ribonucleoprotein H' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RRM domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSSGSSGNSPDTANDGFVRL RGLPFGCSKEEIVQFFSGLE IVPNGMTLPVDFQGRSTGEA FVQFASQEIAEKALKKHKER IGHRYIEIFKSSRAEVRTSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 SER 10 PRO 11 ASP 12 THR 13 ALA 14 ASN 15 ASP 16 GLY 17 PHE 18 VAL 19 ARG 20 LEU 21 ARG 22 GLY 23 LEU 24 PRO 25 PHE 26 GLY 27 CYS 28 SER 29 LYS 30 GLU 31 GLU 32 ILE 33 VAL 34 GLN 35 PHE 36 PHE 37 SER 38 GLY 39 LEU 40 GLU 41 ILE 42 VAL 43 PRO 44 ASN 45 GLY 46 MET 47 THR 48 LEU 49 PRO 50 VAL 51 ASP 52 PHE 53 GLN 54 GLY 55 ARG 56 SER 57 THR 58 GLY 59 GLU 60 ALA 61 PHE 62 VAL 63 GLN 64 PHE 65 ALA 66 SER 67 GLN 68 GLU 69 ILE 70 ALA 71 GLU 72 LYS 73 ALA 74 LEU 75 LYS 76 LYS 77 HIS 78 LYS 79 GLU 80 ARG 81 ILE 82 GLY 83 HIS 84 ARG 85 TYR 86 ILE 87 GLU 88 ILE 89 PHE 90 LYS 91 SER 92 SER 93 ARG 94 ALA 95 GLU 96 VAL 97 ARG 98 THR 99 SER 100 GLY 101 PRO 102 SER 103 SER 104 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-05 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 1WG5 "Solution Structure Of The First Rrm Domain In Heterogeneous Nuclear Ribonucleoprotein H" 100.00 104 100.00 100.00 2.35e-67 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 p040223-24 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 0.8 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.863 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.29 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 Bruker _Model AVANCE _Field_strength 700 _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_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 298 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_ _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 'Heterogeneous nuclear ribonucleoprotein H' _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 6 6 SER HA H 4.478 0.030 1 2 6 6 SER HB2 H 3.877 0.030 1 3 6 6 SER HB3 H 3.877 0.030 1 4 6 6 SER C C 173.989 0.300 1 5 6 6 SER CA C 58.488 0.300 1 6 6 6 SER CB C 64.108 0.300 1 7 7 7 GLY H H 8.056 0.030 1 8 7 7 GLY HA2 H 3.776 0.030 1 9 7 7 GLY HA3 H 3.776 0.030 1 10 7 7 GLY C C 179.001 0.300 1 11 7 7 GLY CA C 46.275 0.300 1 12 7 7 GLY N N 116.945 0.300 1 13 8 8 ASN HA H 4.752 0.030 1 14 8 8 ASN HB2 H 2.821 0.030 2 15 8 8 ASN HB3 H 2.729 0.030 2 16 8 8 ASN HD21 H 7.564 0.030 2 17 8 8 ASN HD22 H 6.915 0.030 2 18 8 8 ASN C C 174.961 0.300 1 19 8 8 ASN CA C 52.994 0.300 1 20 8 8 ASN CB C 39.197 0.300 1 21 8 8 ASN ND2 N 112.950 0.300 1 22 9 9 SER H H 8.332 0.030 1 23 9 9 SER HB2 H 3.887 0.030 1 24 9 9 SER HB3 H 3.887 0.030 1 25 9 9 SER C C 172.916 0.300 1 26 9 9 SER CA C 56.526 0.300 1 27 9 9 SER CB C 63.426 0.300 1 28 9 9 SER N N 117.437 0.300 1 29 10 10 PRO HA H 4.453 0.030 1 30 10 10 PRO HB2 H 2.297 0.030 2 31 10 10 PRO HB3 H 1.953 0.030 2 32 10 10 PRO HG2 H 2.026 0.030 1 33 10 10 PRO HG3 H 2.026 0.030 1 34 10 10 PRO HD2 H 3.809 0.030 2 35 10 10 PRO HD3 H 3.755 0.030 2 36 10 10 PRO C C 176.788 0.300 1 37 10 10 PRO CA C 63.725 0.300 1 38 10 10 PRO CB C 32.142 0.300 1 39 10 10 PRO CG C 27.346 0.300 1 40 10 10 PRO CD C 50.796 0.300 1 41 11 11 ASP H H 8.418 0.030 1 42 11 11 ASP HA H 4.642 0.030 1 43 11 11 ASP HB2 H 2.759 0.030 2 44 11 11 ASP HB3 H 2.640 0.030 2 45 11 11 ASP C C 176.788 0.300 1 46 11 11 ASP CA C 54.711 0.300 1 47 11 11 ASP CB C 41.066 0.300 1 48 11 11 ASP N N 119.801 0.300 1 49 12 12 THR H H 8.026 0.030 1 50 12 12 THR HA H 4.367 0.030 1 51 12 12 THR HB H 4.380 0.030 1 52 12 12 THR HG2 H 1.226 0.030 1 53 12 12 THR C C 174.875 0.300 1 54 12 12 THR CA C 61.922 0.300 1 55 12 12 THR CB C 69.754 0.300 1 56 12 12 THR CG2 C 21.677 0.300 1 57 12 12 THR N N 113.280 0.300 1 58 13 13 ALA H H 8.199 0.030 1 59 13 13 ALA HA H 4.343 0.030 1 60 13 13 ALA HB H 1.465 0.030 1 61 13 13 ALA C C 177.813 0.300 1 62 13 13 ALA CA C 53.223 0.300 1 63 13 13 ALA CB C 19.319 0.300 1 64 13 13 ALA N N 125.586 0.300 1 65 14 14 ASN H H 8.438 0.030 1 66 14 14 ASN HA H 4.925 0.030 1 67 14 14 ASN HB2 H 2.975 0.030 2 68 14 14 ASN HB3 H 2.798 0.030 2 69 14 14 ASN HD21 H 7.009 0.030 2 70 14 14 ASN HD22 H 7.759 0.030 2 71 14 14 ASN C C 175.015 0.300 1 72 14 14 ASN CA C 53.527 0.300 1 73 14 14 ASN CB C 39.379 0.300 1 74 14 14 ASN N N 117.678 0.300 1 75 14 14 ASN ND2 N 113.514 0.300 1 76 15 15 ASP H H 8.222 0.030 1 77 15 15 ASP HA H 4.862 0.030 1 78 15 15 ASP HB2 H 2.932 0.030 2 79 15 15 ASP HB3 H 2.869 0.030 2 80 15 15 ASP C C 176.689 0.300 1 81 15 15 ASP CA C 54.209 0.300 1 82 15 15 ASP CB C 42.168 0.300 1 83 15 15 ASP N N 119.312 0.300 1 84 16 16 GLY H H 8.634 0.030 1 85 16 16 GLY HA2 H 3.771 0.030 1 86 16 16 GLY HA3 H 3.771 0.030 1 87 16 16 GLY C C 174.067 0.300 1 88 16 16 GLY CA C 45.831 0.300 1 89 16 16 GLY N N 107.071 0.300 1 90 17 17 PHE H H 8.454 0.030 1 91 17 17 PHE HA H 5.255 0.030 1 92 17 17 PHE HB2 H 2.903 0.030 2 93 17 17 PHE HB3 H 2.583 0.030 2 94 17 17 PHE HD1 H 7.091 0.030 1 95 17 17 PHE HD2 H 7.091 0.030 1 96 17 17 PHE HE1 H 7.268 0.030 1 97 17 17 PHE HE2 H 7.268 0.030 1 98 17 17 PHE HZ H 7.084 0.030 1 99 17 17 PHE C C 177.707 0.300 1 100 17 17 PHE CA C 59.606 0.300 1 101 17 17 PHE CB C 41.321 0.300 1 102 17 17 PHE CD1 C 131.408 0.300 1 103 17 17 PHE CD2 C 131.408 0.300 1 104 17 17 PHE CE1 C 131.443 0.300 1 105 17 17 PHE CE2 C 131.443 0.300 1 106 17 17 PHE CZ C 129.808 0.300 1 107 17 17 PHE N N 118.702 0.300 1 108 18 18 VAL H H 9.331 0.030 1 109 18 18 VAL HA H 4.991 0.030 1 110 18 18 VAL HB H 2.266 0.030 1 111 18 18 VAL HG1 H 0.946 0.030 1 112 18 18 VAL HG2 H 0.950 0.030 1 113 18 18 VAL C C 172.885 0.300 1 114 18 18 VAL CA C 59.940 0.300 1 115 18 18 VAL CB C 35.497 0.300 1 116 18 18 VAL CG1 C 21.239 0.300 2 117 18 18 VAL CG2 C 21.656 0.300 2 118 18 18 VAL N N 116.462 0.300 1 119 19 19 ARG H H 9.480 0.030 1 120 19 19 ARG HA H 5.210 0.030 1 121 19 19 ARG HB2 H 1.792 0.030 2 122 19 19 ARG HB3 H 1.637 0.030 2 123 19 19 ARG HG2 H 1.192 0.030 2 124 19 19 ARG HG3 H 0.878 0.030 2 125 19 19 ARG HD2 H 3.200 0.030 2 126 19 19 ARG HD3 H 3.061 0.030 2 127 19 19 ARG HE H 7.468 0.030 1 128 19 19 ARG C C 173.762 0.300 1 129 19 19 ARG CA C 53.897 0.300 1 130 19 19 ARG CB C 34.611 0.300 1 131 19 19 ARG CG C 27.519 0.300 1 132 19 19 ARG CD C 43.748 0.300 1 133 19 19 ARG N N 123.644 0.300 1 134 19 19 ARG NE N 83.049 0.300 1 135 20 20 LEU H H 9.320 0.030 1 136 20 20 LEU HA H 5.733 0.030 1 137 20 20 LEU HB2 H 1.552 0.030 2 138 20 20 LEU HB3 H 1.440 0.030 2 139 20 20 LEU HG H 1.792 0.030 1 140 20 20 LEU HD1 H 0.951 0.030 1 141 20 20 LEU HD2 H 0.931 0.030 1 142 20 20 LEU C C 176.882 0.300 1 143 20 20 LEU CA C 53.167 0.300 1 144 20 20 LEU CB C 44.512 0.300 1 145 20 20 LEU CG C 28.805 0.300 1 146 20 20 LEU CD1 C 25.970 0.300 2 147 20 20 LEU CD2 C 26.331 0.300 2 148 20 20 LEU N N 124.843 0.300 1 149 21 21 ARG H H 9.166 0.030 1 150 21 21 ARG HA H 4.921 0.030 1 151 21 21 ARG HB2 H 2.008 0.030 2 152 21 21 ARG HB3 H 1.846 0.030 2 153 21 21 ARG HG2 H 1.722 0.030 1 154 21 21 ARG HG3 H 1.722 0.030 1 155 21 21 ARG HD2 H 3.224 0.030 1 156 21 21 ARG HD3 H 3.224 0.030 1 157 21 21 ARG C C 174.231 0.300 1 158 21 21 ARG CA C 55.717 0.300 1 159 21 21 ARG CB C 34.648 0.300 1 160 21 21 ARG CG C 27.676 0.300 1 161 21 21 ARG CD C 44.007 0.300 1 162 21 21 ARG N N 119.688 0.300 1 163 22 22 GLY H H 8.072 0.030 1 164 22 22 GLY HA2 H 4.558 0.030 2 165 22 22 GLY HA3 H 3.643 0.030 2 166 22 22 GLY C C 174.623 0.300 1 167 22 22 GLY CA C 45.046 0.300 1 168 22 22 GLY N N 110.727 0.300 1 169 23 23 LEU H H 8.246 0.030 1 170 23 23 LEU HA H 3.888 0.030 1 171 23 23 LEU HB2 H 1.330 0.030 2 172 23 23 LEU HB3 H 1.149 0.030 2 173 23 23 LEU HG H 1.370 0.030 1 174 23 23 LEU HD1 H 0.554 0.030 1 175 23 23 LEU HD2 H 0.630 0.030 1 176 23 23 LEU C C 175.057 0.300 1 177 23 23 LEU CA C 53.483 0.300 1 178 23 23 LEU CB C 40.828 0.300 1 179 23 23 LEU CG C 26.953 0.300 1 180 23 23 LEU CD1 C 26.133 0.300 2 181 23 23 LEU CD2 C 23.348 0.300 2 182 23 23 LEU N N 118.133 0.300 1 183 24 24 PRO HA H 4.297 0.030 1 184 24 24 PRO HB2 H 2.195 0.030 2 185 24 24 PRO HB3 H 1.872 0.030 2 186 24 24 PRO HG2 H 1.897 0.030 1 187 24 24 PRO HG3 H 1.897 0.030 1 188 24 24 PRO HD2 H 3.456 0.030 2 189 24 24 PRO HD3 H 3.254 0.030 2 190 24 24 PRO C C 177.033 0.300 1 191 24 24 PRO CA C 62.191 0.300 1 192 24 24 PRO CB C 31.974 0.300 1 193 24 24 PRO CG C 27.501 0.300 1 194 24 24 PRO CD C 49.835 0.300 1 195 25 25 PHE H H 8.599 0.030 1 196 25 25 PHE HA H 4.278 0.030 1 197 25 25 PHE HB2 H 3.113 0.030 2 198 25 25 PHE HB3 H 3.002 0.030 2 199 25 25 PHE HD1 H 7.268 0.030 1 200 25 25 PHE HD2 H 7.268 0.030 1 201 25 25 PHE HE1 H 7.358 0.030 1 202 25 25 PHE HE2 H 7.358 0.030 1 203 25 25 PHE C C 177.508 0.300 1 204 25 25 PHE CA C 59.728 0.300 1 205 25 25 PHE CB C 38.415 0.300 1 206 25 25 PHE CD1 C 131.576 0.300 1 207 25 25 PHE CD2 C 131.576 0.300 1 208 25 25 PHE CE1 C 131.569 0.300 1 209 25 25 PHE CE2 C 131.569 0.300 1 210 25 25 PHE N N 123.721 0.300 1 211 26 26 GLY H H 8.429 0.030 1 212 26 26 GLY HA2 H 3.883 0.030 2 213 26 26 GLY HA3 H 3.579 0.030 2 214 26 26 GLY C C 173.926 0.300 1 215 26 26 GLY CA C 45.155 0.300 1 216 26 26 GLY N N 113.754 0.300 1 217 27 27 CYS H H 7.398 0.030 1 218 27 27 CYS HA H 4.205 0.030 1 219 27 27 CYS HB2 H 2.840 0.030 2 220 27 27 CYS HB3 H 2.619 0.030 2 221 27 27 CYS C C 173.692 0.300 1 222 27 27 CYS CA C 60.436 0.300 1 223 27 27 CYS CB C 27.284 0.300 1 224 27 27 CYS N N 120.328 0.300 1 225 28 28 SER H H 8.722 0.030 1 226 28 28 SER HA H 4.752 0.030 1 227 28 28 SER HB2 H 4.403 0.030 2 228 28 28 SER HB3 H 4.042 0.030 2 229 28 28 SER C C 175.219 0.300 1 230 28 28 SER CA C 56.869 0.300 1 231 28 28 SER CB C 66.912 0.300 1 232 28 28 SER N N 124.307 0.300 1 233 29 29 LYS H H 8.907 0.030 1 234 29 29 LYS HA H 3.917 0.030 1 235 29 29 LYS HB2 H 1.841 0.030 1 236 29 29 LYS HB3 H 1.841 0.030 1 237 29 29 LYS HG2 H 1.660 0.030 2 238 29 29 LYS HG3 H 1.374 0.030 2 239 29 29 LYS HD2 H 1.775 0.030 1 240 29 29 LYS HD3 H 1.775 0.030 1 241 29 29 LYS HE2 H 3.044 0.030 2 242 29 29 LYS HE3 H 2.920 0.030 2 243 29 29 LYS C C 178.421 0.300 1 244 29 29 LYS CA C 60.599 0.300 1 245 29 29 LYS CB C 32.325 0.300 1 246 29 29 LYS CG C 26.725 0.300 1 247 29 29 LYS CD C 29.899 0.300 1 248 29 29 LYS CE C 42.220 0.300 1 249 29 29 LYS N N 120.190 0.300 1 250 30 30 GLU H H 8.713 0.030 1 251 30 30 GLU HA H 3.908 0.030 1 252 30 30 GLU HB2 H 2.093 0.030 2 253 30 30 GLU HB3 H 1.911 0.030 2 254 30 30 GLU HG2 H 2.458 0.030 2 255 30 30 GLU HG3 H 2.264 0.030 2 256 30 30 GLU C C 179.305 0.300 1 257 30 30 GLU CA C 60.647 0.300 1 258 30 30 GLU CB C 28.747 0.300 1 259 30 30 GLU CG C 37.178 0.300 1 260 30 30 GLU N N 117.840 0.300 1 261 31 31 GLU H H 7.804 0.030 1 262 31 31 GLU HA H 3.960 0.030 1 263 31 31 GLU HB2 H 2.394 0.030 2 264 31 31 GLU HB3 H 1.850 0.030 2 265 31 31 GLU HG2 H 2.247 0.030 1 266 31 31 GLU HG3 H 2.247 0.030 1 267 31 31 GLU C C 179.581 0.300 1 268 31 31 GLU CA C 59.561 0.300 1 269 31 31 GLU CB C 30.288 0.300 1 270 31 31 GLU CG C 38.028 0.300 1 271 31 31 GLU N N 119.273 0.300 1 272 32 32 ILE H H 7.487 0.030 1 273 32 32 ILE HA H 3.466 0.030 1 274 32 32 ILE HB H 2.178 0.030 1 275 32 32 ILE HG12 H 1.707 0.030 2 276 32 32 ILE HG13 H 0.559 0.030 2 277 32 32 ILE HG2 H 0.963 0.030 1 278 32 32 ILE HD1 H 0.654 0.030 1 279 32 32 ILE C C 177.251 0.300 1 280 32 32 ILE CA C 65.557 0.300 1 281 32 32 ILE CB C 37.380 0.300 1 282 32 32 ILE CG1 C 29.089 0.300 1 283 32 32 ILE CG2 C 18.303 0.300 1 284 32 32 ILE CD1 C 13.745 0.300 1 285 32 32 ILE N N 122.372 0.300 1 286 33 33 VAL H H 8.219 0.030 1 287 33 33 VAL HA H 3.576 0.030 1 288 33 33 VAL HB H 2.164 0.030 1 289 33 33 VAL HG1 H 1.068 0.030 1 290 33 33 VAL HG2 H 0.951 0.030 1 291 33 33 VAL C C 179.252 0.300 1 292 33 33 VAL CA C 67.235 0.300 1 293 33 33 VAL CB C 31.729 0.300 1 294 33 33 VAL CG1 C 23.445 0.300 2 295 33 33 VAL CG2 C 20.975 0.300 2 296 33 33 VAL N N 120.625 0.300 1 297 34 34 GLN H H 7.739 0.030 1 298 34 34 GLN HA H 4.042 0.030 1 299 34 34 GLN HB2 H 2.109 0.030 1 300 34 34 GLN HB3 H 2.109 0.030 1 301 34 34 GLN HG2 H 2.473 0.030 1 302 34 34 GLN HG3 H 2.473 0.030 1 303 34 34 GLN HE21 H 7.533 0.030 2 304 34 34 GLN HE22 H 6.848 0.030 2 305 34 34 GLN C C 179.353 0.300 1 306 34 34 GLN CA C 58.103 0.300 1 307 34 34 GLN CB C 28.367 0.300 1 308 34 34 GLN CG C 33.748 0.300 1 309 34 34 GLN N N 116.007 0.300 1 310 34 34 GLN NE2 N 112.109 0.300 1 311 35 35 PHE H H 8.040 0.030 1 312 35 35 PHE HA H 4.194 0.030 1 313 35 35 PHE HB2 H 2.988 0.030 2 314 35 35 PHE HB3 H 2.917 0.030 2 315 35 35 PHE HD1 H 6.160 0.030 1 316 35 35 PHE HD2 H 6.160 0.030 1 317 35 35 PHE HE1 H 6.759 0.030 1 318 35 35 PHE HE2 H 6.759 0.030 1 319 35 35 PHE HZ H 7.024 0.030 1 320 35 35 PHE C C 176.572 0.300 1 321 35 35 PHE CA C 60.941 0.300 1 322 35 35 PHE CB C 38.908 0.300 1 323 35 35 PHE CD1 C 131.577 0.300 1 324 35 35 PHE CD2 C 131.577 0.300 1 325 35 35 PHE CE1 C 130.762 0.300 1 326 35 35 PHE CE2 C 130.762 0.300 1 327 35 35 PHE CZ C 129.003 0.300 1 328 35 35 PHE N N 123.894 0.300 1 329 36 36 PHE H H 7.620 0.030 1 330 36 36 PHE HA H 4.752 0.030 1 331 36 36 PHE HB2 H 3.985 0.030 2 332 36 36 PHE HB3 H 2.949 0.030 2 333 36 36 PHE HD1 H 7.328 0.030 1 334 36 36 PHE HD2 H 7.328 0.030 1 335 36 36 PHE HE1 H 7.379 0.030 1 336 36 36 PHE HE2 H 7.379 0.030 1 337 36 36 PHE HZ H 7.288 0.030 1 338 36 36 PHE C C 174.722 0.300 1 339 36 36 PHE CA C 56.281 0.300 1 340 36 36 PHE CB C 38.081 0.300 1 341 36 36 PHE CD1 C 132.066 0.300 1 342 36 36 PHE CD2 C 132.066 0.300 1 343 36 36 PHE CE1 C 131.433 0.300 1 344 36 36 PHE CE2 C 131.433 0.300 1 345 36 36 PHE CZ C 128.466 0.300 1 346 36 36 PHE N N 115.574 0.300 1 347 37 37 SER H H 7.032 0.030 1 348 37 37 SER HA H 4.155 0.030 1 349 37 37 SER HB2 H 4.105 0.030 2 350 37 37 SER HB3 H 3.843 0.030 2 351 37 37 SER C C 176.326 0.300 1 352 37 37 SER CA C 60.805 0.300 1 353 37 37 SER CB C 63.128 0.300 1 354 37 37 SER N N 113.995 0.300 1 355 38 38 GLY H H 8.938 0.030 1 356 38 38 GLY HA2 H 4.256 0.030 2 357 38 38 GLY HA3 H 3.680 0.030 2 358 38 38 GLY C C 173.663 0.300 1 359 38 38 GLY CA C 45.144 0.300 1 360 38 38 GLY N N 114.736 0.300 1 361 39 39 LEU H H 8.340 0.030 1 362 39 39 LEU HA H 4.594 0.030 1 363 39 39 LEU HB2 H 2.222 0.030 2 364 39 39 LEU HB3 H 0.983 0.030 2 365 39 39 LEU HG H 1.460 0.030 1 366 39 39 LEU HD1 H 0.615 0.030 1 367 39 39 LEU HD2 H 0.720 0.030 1 368 39 39 LEU C C 175.314 0.300 1 369 39 39 LEU CA C 53.551 0.300 1 370 39 39 LEU CB C 41.419 0.300 1 371 39 39 LEU CG C 26.627 0.300 1 372 39 39 LEU CD1 C 25.717 0.300 2 373 39 39 LEU CD2 C 23.455 0.300 2 374 39 39 LEU N N 122.515 0.300 1 375 40 40 GLU H H 7.925 0.030 1 376 40 40 GLU HA H 4.093 0.030 1 377 40 40 GLU HB2 H 1.978 0.030 1 378 40 40 GLU HB3 H 1.978 0.030 1 379 40 40 GLU HG2 H 2.247 0.030 2 380 40 40 GLU HG3 H 1.963 0.030 2 381 40 40 GLU C C 174.535 0.300 1 382 40 40 GLU CA C 58.390 0.300 1 383 40 40 GLU CB C 30.387 0.300 1 384 40 40 GLU CG C 35.955 0.300 1 385 40 40 GLU N N 123.914 0.300 1 386 41 41 ILE H H 8.411 0.030 1 387 41 41 ILE HA H 3.973 0.030 1 388 41 41 ILE HB H 1.500 0.030 1 389 41 41 ILE HG12 H 1.819 0.030 2 390 41 41 ILE HG13 H -0.049 0.030 2 391 41 41 ILE HG2 H 0.733 0.030 1 392 41 41 ILE HD1 H 0.823 0.030 1 393 41 41 ILE C C 176.976 0.300 1 394 41 41 ILE CA C 60.939 0.300 1 395 41 41 ILE CB C 39.852 0.300 1 396 41 41 ILE CG1 C 28.961 0.300 1 397 41 41 ILE CG2 C 16.069 0.300 1 398 41 41 ILE CD1 C 14.644 0.300 1 399 41 41 ILE N N 131.020 0.300 1 400 42 42 VAL H H 7.849 0.030 1 401 42 42 VAL HA H 4.250 0.030 1 402 42 42 VAL HB H 2.039 0.030 1 403 42 42 VAL HG1 H 0.771 0.030 1 404 42 42 VAL HG2 H 0.591 0.030 1 405 42 42 VAL C C 174.051 0.300 1 406 42 42 VAL CA C 61.229 0.300 1 407 42 42 VAL CB C 30.361 0.300 1 408 42 42 VAL CG1 C 20.839 0.300 2 409 42 42 VAL CG2 C 19.354 0.300 2 410 42 42 VAL N N 123.815 0.300 1 411 43 43 PRO HA H 4.268 0.030 1 412 43 43 PRO HB2 H 2.272 0.030 2 413 43 43 PRO HB3 H 1.773 0.030 2 414 43 43 PRO HG2 H 2.091 0.030 2 415 43 43 PRO HG3 H 1.969 0.030 2 416 43 43 PRO HD2 H 3.907 0.030 2 417 43 43 PRO HD3 H 3.554 0.030 2 418 43 43 PRO CA C 64.053 0.300 1 419 43 43 PRO CB C 31.460 0.300 1 420 43 43 PRO CG C 28.115 0.300 1 421 43 43 PRO CD C 50.588 0.300 1 422 44 44 ASN H H 9.006 0.030 1 423 44 44 ASN HA H 4.545 0.030 1 424 44 44 ASN HB2 H 3.042 0.030 2 425 44 44 ASN HB3 H 2.864 0.030 2 426 44 44 ASN HD21 H 7.619 0.030 2 427 44 44 ASN HD22 H 6.949 0.030 2 428 44 44 ASN C C 176.589 0.300 1 429 44 44 ASN CA C 54.574 0.300 1 430 44 44 ASN CB C 37.400 0.300 1 431 44 44 ASN N N 118.012 0.300 1 432 44 44 ASN ND2 N 113.916 0.300 1 433 45 45 GLY H H 8.104 0.030 1 434 45 45 GLY HA2 H 4.168 0.030 2 435 45 45 GLY HA3 H 3.551 0.030 2 436 45 45 GLY C C 173.815 0.300 1 437 45 45 GLY CA C 46.628 0.300 1 438 45 45 GLY N N 105.228 0.300 1 439 46 46 MET H H 7.929 0.030 1 440 46 46 MET HA H 5.388 0.030 1 441 46 46 MET HB2 H 2.060 0.030 2 442 46 46 MET HB3 H 1.749 0.030 2 443 46 46 MET HG2 H 2.322 0.030 1 444 46 46 MET HG3 H 2.322 0.030 1 445 46 46 MET HE H 2.040 0.030 1 446 46 46 MET C C 175.178 0.300 1 447 46 46 MET CA C 54.640 0.300 1 448 46 46 MET CB C 36.424 0.300 1 449 46 46 MET CG C 32.445 0.300 1 450 46 46 MET CE C 17.761 0.300 1 451 46 46 MET N N 119.011 0.300 1 452 47 47 THR H H 9.179 0.030 1 453 47 47 THR HA H 4.503 0.030 1 454 47 47 THR HB H 4.129 0.030 1 455 47 47 THR HG2 H 1.155 0.030 1 456 47 47 THR C C 173.007 0.300 1 457 47 47 THR CA C 62.482 0.300 1 458 47 47 THR CB C 71.140 0.300 1 459 47 47 THR CG2 C 21.396 0.300 1 460 47 47 THR N N 121.200 0.300 1 461 48 48 LEU H H 9.189 0.030 1 462 48 48 LEU HA H 5.173 0.030 1 463 48 48 LEU HB2 H 1.818 0.030 2 464 48 48 LEU HB3 H 1.642 0.030 2 465 48 48 LEU HG H 1.594 0.030 1 466 48 48 LEU HD1 H 0.831 0.030 1 467 48 48 LEU HD2 H 0.829 0.030 1 468 48 48 LEU C C 173.782 0.300 1 469 48 48 LEU CA C 52.786 0.300 1 470 48 48 LEU CB C 41.945 0.300 1 471 48 48 LEU CG C 28.874 0.300 1 472 48 48 LEU CD1 C 25.096 0.300 2 473 48 48 LEU CD2 C 25.210 0.300 2 474 48 48 LEU N N 131.283 0.300 1 475 49 49 PRO HA H 4.433 0.030 1 476 49 49 PRO HB2 H 2.250 0.030 2 477 49 49 PRO HB3 H 1.948 0.030 2 478 49 49 PRO HG2 H 2.164 0.030 2 479 49 49 PRO HG3 H 2.080 0.030 2 480 49 49 PRO HD2 H 3.938 0.030 2 481 49 49 PRO HD3 H 3.901 0.030 2 482 49 49 PRO C C 176.050 0.300 1 483 49 49 PRO CA C 62.903 0.300 1 484 49 49 PRO CB C 32.548 0.300 1 485 49 49 PRO CG C 27.599 0.300 1 486 49 49 PRO CD C 51.264 0.300 1 487 50 50 VAL H H 8.051 0.030 1 488 50 50 VAL HA H 5.078 0.030 1 489 50 50 VAL HB H 1.804 0.030 1 490 50 50 VAL HG1 H 0.821 0.030 1 491 50 50 VAL HG2 H 0.956 0.030 1 492 50 50 VAL C C 175.834 0.300 1 493 50 50 VAL CA C 58.881 0.300 1 494 50 50 VAL CB C 35.958 0.300 1 495 50 50 VAL CG1 C 21.593 0.300 2 496 50 50 VAL CG2 C 18.277 0.300 2 497 50 50 VAL N N 113.375 0.300 1 498 51 51 ASP H H 8.730 0.030 1 499 51 51 ASP HA H 4.783 0.030 1 500 51 51 ASP HB2 H 3.368 0.030 2 501 51 51 ASP HB3 H 2.585 0.030 2 502 51 51 ASP C C 178.813 0.300 1 503 51 51 ASP CA C 52.111 0.300 1 504 51 51 ASP CB C 41.856 0.300 1 505 51 51 ASP N N 121.197 0.300 1 506 52 52 PHE H H 8.283 0.030 1 507 52 52 PHE HA H 4.467 0.030 1 508 52 52 PHE HB2 H 3.253 0.030 2 509 52 52 PHE HB3 H 3.218 0.030 2 510 52 52 PHE HD1 H 7.331 0.030 1 511 52 52 PHE HD2 H 7.331 0.030 1 512 52 52 PHE HE1 H 7.395 0.030 1 513 52 52 PHE HE2 H 7.395 0.030 1 514 52 52 PHE C C 176.162 0.300 1 515 52 52 PHE CA C 59.599 0.300 1 516 52 52 PHE CB C 38.366 0.300 1 517 52 52 PHE CD1 C 131.833 0.300 1 518 52 52 PHE CD2 C 131.833 0.300 1 519 52 52 PHE CE1 C 131.703 0.300 1 520 52 52 PHE CE2 C 131.703 0.300 1 521 52 52 PHE N N 116.678 0.300 1 522 53 53 GLN H H 8.003 0.030 1 523 53 53 GLN HA H 4.375 0.030 1 524 53 53 GLN HB2 H 2.039 0.030 2 525 53 53 GLN HB3 H 1.888 0.030 2 526 53 53 GLN HG2 H 1.988 0.030 2 527 53 53 GLN HG3 H 1.764 0.030 2 528 53 53 GLN HE21 H 7.394 0.030 2 529 53 53 GLN HE22 H 6.811 0.030 2 530 53 53 GLN C C 176.127 0.300 1 531 53 53 GLN CA C 55.221 0.300 1 532 53 53 GLN CB C 29.008 0.300 1 533 53 53 GLN CG C 34.278 0.300 1 534 53 53 GLN N N 118.573 0.300 1 535 53 53 GLN NE2 N 111.984 0.300 1 536 54 54 GLY H H 8.249 0.030 1 537 54 54 GLY HA2 H 4.179 0.030 2 538 54 54 GLY HA3 H 3.532 0.030 2 539 54 54 GLY C C 174.060 0.300 1 540 54 54 GLY CA C 45.608 0.300 1 541 54 54 GLY N N 108.849 0.300 1 542 55 55 ARG H H 8.410 0.030 1 543 55 55 ARG HA H 4.462 0.030 1 544 55 55 ARG HB2 H 1.940 0.030 2 545 55 55 ARG HB3 H 1.836 0.030 2 546 55 55 ARG HG2 H 1.660 0.030 2 547 55 55 ARG HG3 H 1.558 0.030 2 548 55 55 ARG HD2 H 3.167 0.030 2 549 55 55 ARG HD3 H 3.090 0.030 2 550 55 55 ARG C C 176.215 0.300 1 551 55 55 ARG CA C 55.252 0.300 1 552 55 55 ARG CB C 31.133 0.300 1 553 55 55 ARG CG C 27.310 0.300 1 554 55 55 ARG CD C 43.410 0.300 1 555 55 55 ARG N N 121.924 0.300 1 556 56 56 SER H H 8.635 0.030 1 557 56 56 SER HA H 4.661 0.030 1 558 56 56 SER HB2 H 4.167 0.030 2 559 56 56 SER HB3 H 3.816 0.030 2 560 56 56 SER C C 176.338 0.300 1 561 56 56 SER CA C 59.062 0.300 1 562 56 56 SER CB C 63.869 0.300 1 563 56 56 SER N N 116.755 0.300 1 564 57 57 THR H H 7.923 0.030 1 565 57 57 THR HA H 4.422 0.030 1 566 57 57 THR HB H 4.559 0.030 1 567 57 57 THR HG2 H 1.081 0.030 1 568 57 57 THR C C 176.267 0.300 1 569 57 57 THR CA C 62.189 0.300 1 570 57 57 THR CB C 69.698 0.300 1 571 57 57 THR CG2 C 22.217 0.300 1 572 57 57 THR N N 114.607 0.300 1 573 58 58 GLY H H 8.657 0.030 1 574 58 58 GLY HA2 H 4.314 0.030 2 575 58 58 GLY HA3 H 3.771 0.030 2 576 58 58 GLY C C 172.428 0.300 1 577 58 58 GLY CA C 45.831 0.300 1 578 58 58 GLY N N 111.060 0.300 1 579 59 59 GLU H H 7.264 0.030 1 580 59 59 GLU HA H 5.314 0.030 1 581 59 59 GLU HB2 H 1.841 0.030 2 582 59 59 GLU HB3 H 1.709 0.030 2 583 59 59 GLU HG2 H 2.234 0.030 2 584 59 59 GLU HG3 H 2.048 0.030 2 585 59 59 GLU C C 175.577 0.300 1 586 59 59 GLU CA C 53.700 0.300 1 587 59 59 GLU CB C 34.608 0.300 1 588 59 59 GLU CG C 37.361 0.300 1 589 59 59 GLU N N 116.369 0.300 1 590 60 60 ALA H H 8.038 0.030 1 591 60 60 ALA HA H 5.032 0.030 1 592 60 60 ALA HB H 1.239 0.030 1 593 60 60 ALA C C 174.769 0.300 1 594 60 60 ALA CA C 51.484 0.300 1 595 60 60 ALA CB C 23.599 0.300 1 596 60 60 ALA N N 117.768 0.300 1 597 61 61 PHE H H 9.175 0.030 1 598 61 61 PHE HA H 5.550 0.030 1 599 61 61 PHE HB2 H 3.079 0.030 2 600 61 61 PHE HB3 H 3.008 0.030 2 601 61 61 PHE HD1 H 7.170 0.030 1 602 61 61 PHE HD2 H 7.170 0.030 1 603 61 61 PHE C C 175.091 0.300 1 604 61 61 PHE CA C 57.335 0.300 1 605 61 61 PHE CB C 42.552 0.300 1 606 61 61 PHE CD1 C 132.326 0.300 1 607 61 61 PHE CD2 C 132.326 0.300 1 608 61 61 PHE N N 118.338 0.300 1 609 62 62 VAL H H 9.041 0.030 1 610 62 62 VAL HA H 4.582 0.030 1 611 62 62 VAL HB H 1.500 0.030 1 612 62 62 VAL HG1 H 0.747 0.030 1 613 62 62 VAL HG2 H -0.100 0.030 1 614 62 62 VAL C C 172.463 0.300 1 615 62 62 VAL CA C 60.941 0.300 1 616 62 62 VAL CB C 35.164 0.300 1 617 62 62 VAL CG1 C 21.697 0.300 2 618 62 62 VAL CG2 C 22.375 0.300 2 619 62 62 VAL N N 122.905 0.300 1 620 63 63 GLN H H 8.348 0.030 1 621 63 63 GLN HA H 3.951 0.030 1 622 63 63 GLN HB2 H 1.652 0.030 2 623 63 63 GLN HB3 H 0.650 0.030 2 624 63 63 GLN HG2 H 1.783 0.030 2 625 63 63 GLN HG3 H 0.914 0.030 2 626 63 63 GLN HE21 H 7.409 0.030 2 627 63 63 GLN HE22 H 6.590 0.030 2 628 63 63 GLN C C 174.195 0.300 1 629 63 63 GLN CA C 53.825 0.300 1 630 63 63 GLN CB C 28.179 0.300 1 631 63 63 GLN CG C 32.776 0.300 1 632 63 63 GLN N N 127.170 0.300 1 633 63 63 GLN NE2 N 109.350 0.300 1 634 64 64 PHE H H 8.434 0.030 1 635 64 64 PHE HA H 4.836 0.030 1 636 64 64 PHE HB2 H 3.068 0.030 2 637 64 64 PHE HB3 H 2.799 0.030 2 638 64 64 PHE HD1 H 6.991 0.030 1 639 64 64 PHE HD2 H 6.991 0.030 1 640 64 64 PHE HE1 H 6.548 0.030 1 641 64 64 PHE HE2 H 6.548 0.030 1 642 64 64 PHE C C 176.823 0.300 1 643 64 64 PHE CA C 58.801 0.300 1 644 64 64 PHE CB C 40.656 0.300 1 645 64 64 PHE CD1 C 131.525 0.300 1 646 64 64 PHE CD2 C 131.525 0.300 1 647 64 64 PHE CE1 C 130.710 0.300 1 648 64 64 PHE CE2 C 130.710 0.300 1 649 64 64 PHE N N 124.459 0.300 1 650 65 65 ALA H H 8.304 0.030 1 651 65 65 ALA HA H 3.788 0.030 1 652 65 65 ALA HB H 1.300 0.030 1 653 65 65 ALA C C 175.758 0.300 1 654 65 65 ALA CA C 54.303 0.300 1 655 65 65 ALA CB C 18.762 0.300 1 656 65 65 ALA N N 117.766 0.300 1 657 66 66 SER H H 7.268 0.030 1 658 66 66 SER HA H 4.690 0.030 1 659 66 66 SER HB2 H 4.293 0.030 2 660 66 66 SER HB3 H 4.019 0.030 2 661 66 66 SER C C 174.290 0.300 1 662 66 66 SER CA C 56.491 0.300 1 663 66 66 SER CB C 66.637 0.300 1 664 66 66 SER N N 107.771 0.300 1 665 67 67 GLN H H 9.268 0.030 1 666 67 67 GLN HA H 4.040 0.030 1 667 67 67 GLN HB2 H 2.189 0.030 2 668 67 67 GLN HB3 H 2.036 0.030 2 669 67 67 GLN HG2 H 2.478 0.030 1 670 67 67 GLN HG3 H 2.478 0.030 1 671 67 67 GLN HE21 H 7.823 0.030 2 672 67 67 GLN HE22 H 6.941 0.030 2 673 67 67 GLN C C 177.187 0.300 1 674 67 67 GLN CA C 58.682 0.300 1 675 67 67 GLN CB C 28.003 0.300 1 676 67 67 GLN CG C 33.248 0.300 1 677 67 67 GLN N N 122.316 0.300 1 678 67 67 GLN NE2 N 111.879 0.300 1 679 68 68 GLU H H 8.552 0.030 1 680 68 68 GLU HA H 3.978 0.030 1 681 68 68 GLU HB2 H 2.070 0.030 2 682 68 68 GLU HB3 H 1.899 0.030 2 683 68 68 GLU HG2 H 2.285 0.030 2 684 68 68 GLU HG3 H 2.255 0.030 2 685 68 68 GLU C C 179.399 0.300 1 686 68 68 GLU CA C 59.989 0.300 1 687 68 68 GLU CB C 29.185 0.300 1 688 68 68 GLU CG C 36.800 0.300 1 689 68 68 GLU N N 119.844 0.300 1 690 69 69 ILE H H 7.646 0.030 1 691 69 69 ILE HA H 3.461 0.030 1 692 69 69 ILE HB H 1.724 0.030 1 693 69 69 ILE HG12 H 1.626 0.030 2 694 69 69 ILE HG13 H 1.145 0.030 2 695 69 69 ILE HG2 H 0.932 0.030 1 696 69 69 ILE HD1 H 1.051 0.030 1 697 69 69 ILE C C 177.292 0.300 1 698 69 69 ILE CA C 65.024 0.300 1 699 69 69 ILE CB C 38.612 0.300 1 700 69 69 ILE CG1 C 29.924 0.300 1 701 69 69 ILE CG2 C 20.628 0.300 1 702 69 69 ILE CD1 C 14.319 0.300 1 703 69 69 ILE N N 120.464 0.300 1 704 70 70 ALA H H 7.592 0.030 1 705 70 70 ALA HA H 3.380 0.030 1 706 70 70 ALA HB H 1.453 0.030 1 707 70 70 ALA C C 178.907 0.300 1 708 70 70 ALA CA C 54.989 0.300 1 709 70 70 ALA CB C 17.932 0.300 1 710 70 70 ALA N N 122.238 0.300 1 711 71 71 GLU H H 8.207 0.030 1 712 71 71 GLU HA H 3.887 0.030 1 713 71 71 GLU HB2 H 2.099 0.030 2 714 71 71 GLU HB3 H 2.026 0.030 2 715 71 71 GLU HG2 H 2.447 0.030 2 716 71 71 GLU HG3 H 2.333 0.030 2 717 71 71 GLU C C 179.861 0.300 1 718 71 71 GLU CA C 59.419 0.300 1 719 71 71 GLU CB C 28.959 0.300 1 720 71 71 GLU CG C 36.713 0.300 1 721 71 71 GLU N N 115.648 0.300 1 722 72 72 LYS H H 7.299 0.030 1 723 72 72 LYS HA H 3.921 0.030 1 724 72 72 LYS HB2 H 1.990 0.030 2 725 72 72 LYS HB3 H 1.721 0.030 2 726 72 72 LYS HG2 H 1.645 0.030 2 727 72 72 LYS HG3 H 1.360 0.030 2 728 72 72 LYS HD2 H 1.615 0.030 2 729 72 72 LYS HD3 H 1.533 0.030 2 730 72 72 LYS HE2 H 2.924 0.030 2 731 72 72 LYS HE3 H 2.869 0.030 2 732 72 72 LYS C C 179.985 0.300 1 733 72 72 LYS CA C 59.488 0.300 1 734 72 72 LYS CB C 32.299 0.300 1 735 72 72 LYS CG C 25.883 0.300 1 736 72 72 LYS CD C 29.560 0.300 1 737 72 72 LYS CE C 42.220 0.300 1 738 72 72 LYS N N 119.558 0.300 1 739 73 73 ALA H H 7.764 0.030 1 740 73 73 ALA HA H 3.619 0.030 1 741 73 73 ALA HB H 0.722 0.030 1 742 73 73 ALA C C 179.317 0.300 1 743 73 73 ALA CA C 55.265 0.300 1 744 73 73 ALA CB C 19.474 0.300 1 745 73 73 ALA N N 124.473 0.300 1 746 74 74 LEU H H 7.707 0.030 1 747 74 74 LEU HA H 3.823 0.030 1 748 74 74 LEU HB2 H 1.842 0.030 2 749 74 74 LEU HB3 H 1.553 0.030 2 750 74 74 LEU HG H 1.824 0.030 1 751 74 74 LEU HD1 H 0.898 0.030 1 752 74 74 LEU HD2 H 0.776 0.030 1 753 74 74 LEU C C 179.428 0.300 1 754 74 74 LEU CA C 57.573 0.300 1 755 74 74 LEU CB C 41.707 0.300 1 756 74 74 LEU CG C 27.278 0.300 1 757 74 74 LEU CD1 C 25.759 0.300 2 758 74 74 LEU CD2 C 23.875 0.300 2 759 74 74 LEU N N 114.964 0.300 1 760 75 75 LYS H H 7.319 0.030 1 761 75 75 LYS HA H 4.236 0.030 1 762 75 75 LYS HB2 H 2.046 0.030 2 763 75 75 LYS HB3 H 1.915 0.030 2 764 75 75 LYS HG2 H 1.717 0.030 2 765 75 75 LYS HG3 H 1.564 0.030 2 766 75 75 LYS HD2 H 1.712 0.030 1 767 75 75 LYS HD3 H 1.712 0.030 1 768 75 75 LYS HE2 H 3.003 0.030 1 769 75 75 LYS HE3 H 3.003 0.030 1 770 75 75 LYS C C 177.625 0.300 1 771 75 75 LYS CA C 57.488 0.300 1 772 75 75 LYS CB C 31.830 0.300 1 773 75 75 LYS CG C 25.251 0.300 1 774 75 75 LYS CD C 28.790 0.300 1 775 75 75 LYS CE C 42.121 0.300 1 776 75 75 LYS N N 116.540 0.300 1 777 76 76 LYS H H 7.801 0.030 1 778 76 76 LYS HA H 4.239 0.030 1 779 76 76 LYS HB2 H 1.949 0.030 2 780 76 76 LYS HB3 H 1.836 0.030 2 781 76 76 LYS HG2 H 1.423 0.030 2 782 76 76 LYS HG3 H 1.290 0.030 2 783 76 76 LYS HD2 H 1.492 0.030 2 784 76 76 LYS HD3 H 1.200 0.030 2 785 76 76 LYS HE2 H 2.501 0.030 2 786 76 76 LYS HE3 H 2.384 0.030 2 787 76 76 LYS C C 174.161 0.300 1 788 76 76 LYS CA C 56.458 0.300 1 789 76 76 LYS CB C 30.741 0.300 1 790 76 76 LYS CG C 24.572 0.300 1 791 76 76 LYS CD C 28.639 0.300 1 792 76 76 LYS CE C 40.982 0.300 1 793 76 76 LYS N N 118.260 0.300 1 794 77 77 HIS H H 7.279 0.030 1 795 77 77 HIS HA H 4.309 0.030 1 796 77 77 HIS HB2 H 3.262 0.030 2 797 77 77 HIS HB3 H 3.054 0.030 2 798 77 77 HIS HD2 H 7.039 0.030 1 799 77 77 HIS HE1 H 7.463 0.030 1 800 77 77 HIS C C 175.787 0.300 1 801 77 77 HIS CA C 58.716 0.300 1 802 77 77 HIS CB C 32.167 0.300 1 803 77 77 HIS CD2 C 118.446 0.300 1 804 77 77 HIS CE1 C 137.977 0.300 1 805 77 77 HIS N N 119.671 0.300 1 806 78 78 LYS H H 8.793 0.030 1 807 78 78 LYS HA H 3.614 0.030 1 808 78 78 LYS HB2 H 1.887 0.030 1 809 78 78 LYS HB3 H 1.887 0.030 1 810 78 78 LYS HG2 H 0.617 0.030 1 811 78 78 LYS HG3 H 0.617 0.030 1 812 78 78 LYS HD2 H 1.383 0.030 1 813 78 78 LYS HD3 H 1.383 0.030 1 814 78 78 LYS HE2 H 2.742 0.030 1 815 78 78 LYS HE3 H 2.742 0.030 1 816 78 78 LYS C C 176.420 0.300 1 817 78 78 LYS CA C 59.068 0.300 1 818 78 78 LYS CB C 28.969 0.300 1 819 78 78 LYS CG C 24.939 0.300 1 820 78 78 LYS CD C 28.866 0.300 1 821 78 78 LYS CE C 41.823 0.300 1 822 78 78 LYS N N 121.345 0.300 1 823 79 79 GLU H H 8.119 0.030 1 824 79 79 GLU HA H 4.539 0.030 1 825 79 79 GLU HB2 H 2.334 0.030 2 826 79 79 GLU HB3 H 2.290 0.030 2 827 79 79 GLU HG2 H 2.354 0.030 2 828 79 79 GLU HG3 H 2.238 0.030 2 829 79 79 GLU C C 175.238 0.300 1 830 79 79 GLU CA C 57.289 0.300 1 831 79 79 GLU CB C 30.029 0.300 1 832 79 79 GLU CG C 37.617 0.300 1 833 79 79 GLU N N 118.144 0.300 1 834 80 80 ARG H H 8.168 0.030 1 835 80 80 ARG HA H 5.029 0.030 1 836 80 80 ARG HB2 H 1.448 0.030 2 837 80 80 ARG HB3 H 1.384 0.030 2 838 80 80 ARG HG2 H 1.178 0.030 2 839 80 80 ARG HG3 H 0.738 0.030 2 840 80 80 ARG HD2 H 2.743 0.030 2 841 80 80 ARG HD3 H 2.668 0.030 2 842 80 80 ARG HE H 6.809 0.030 1 843 80 80 ARG C C 177.608 0.300 1 844 80 80 ARG CA C 55.928 0.300 1 845 80 80 ARG CB C 33.652 0.300 1 846 80 80 ARG CG C 27.355 0.300 1 847 80 80 ARG CD C 43.634 0.300 1 848 80 80 ARG N N 116.926 0.300 1 849 81 81 ILE H H 7.996 0.030 1 850 81 81 ILE HA H 3.936 0.030 1 851 81 81 ILE HB H 1.117 0.030 1 852 81 81 ILE HG12 H 0.930 0.030 2 853 81 81 ILE HG13 H 0.566 0.030 2 854 81 81 ILE HG2 H 0.645 0.030 1 855 81 81 ILE HD1 H 0.053 0.030 1 856 81 81 ILE C C 176.098 0.300 1 857 81 81 ILE CA C 62.119 0.300 1 858 81 81 ILE CB C 39.832 0.300 1 859 81 81 ILE CG1 C 28.074 0.300 1 860 81 81 ILE CG2 C 16.835 0.300 1 861 81 81 ILE CD1 C 12.536 0.300 1 862 81 81 ILE N N 121.112 0.300 1 863 82 82 GLY H H 8.798 0.030 1 864 82 82 GLY HA2 H 3.835 0.030 2 865 82 82 GLY HA3 H 3.535 0.030 2 866 82 82 GLY C C 174.718 0.300 1 867 82 82 GLY CA C 47.019 0.300 1 868 82 82 GLY N N 116.700 0.300 1 869 83 83 HIS HA H 4.476 0.030 1 870 83 83 HIS HB2 H 3.117 0.030 1 871 83 83 HIS HB3 H 3.117 0.030 1 872 83 83 HIS HD2 H 6.948 0.030 1 873 83 83 HIS HE1 H 7.790 0.030 1 874 83 83 HIS C C 175.137 0.300 1 875 83 83 HIS CA C 56.285 0.300 1 876 83 83 HIS CB C 30.472 0.300 1 877 83 83 HIS CD2 C 119.295 0.300 1 878 83 83 HIS CE1 C 138.776 0.300 1 879 84 84 ARG H H 7.792 0.030 1 880 84 84 ARG HA H 4.392 0.030 1 881 84 84 ARG HB2 H 1.919 0.030 2 882 84 84 ARG HB3 H 1.674 0.030 2 883 84 84 ARG HG2 H 1.323 0.030 2 884 84 84 ARG HG3 H 1.287 0.030 2 885 84 84 ARG HD2 H 3.081 0.030 1 886 84 84 ARG HD3 H 3.081 0.030 1 887 84 84 ARG C C 174.505 0.300 1 888 84 84 ARG CA C 54.142 0.300 1 889 84 84 ARG CB C 31.587 0.300 1 890 84 84 ARG CG C 26.502 0.300 1 891 84 84 ARG CD C 42.389 0.300 1 892 84 84 ARG N N 120.708 0.300 1 893 85 85 TYR H H 8.239 0.030 1 894 85 85 TYR HA H 4.363 0.030 1 895 85 85 TYR HB2 H 2.798 0.030 2 896 85 85 TYR HB3 H 2.574 0.030 2 897 85 85 TYR HD1 H 7.200 0.030 1 898 85 85 TYR HD2 H 7.200 0.030 1 899 85 85 TYR HE1 H 6.818 0.030 1 900 85 85 TYR HE2 H 6.818 0.030 1 901 85 85 TYR C C 175.279 0.300 1 902 85 85 TYR CA C 58.022 0.300 1 903 85 85 TYR CB C 38.639 0.300 1 904 85 85 TYR CD1 C 133.715 0.300 1 905 85 85 TYR CD2 C 133.715 0.300 1 906 85 85 TYR CE1 C 117.992 0.300 1 907 85 85 TYR CE2 C 117.992 0.300 1 908 85 85 TYR N N 120.256 0.300 1 909 86 86 ILE H H 8.621 0.030 1 910 86 86 ILE HA H 4.353 0.030 1 911 86 86 ILE HB H 1.854 0.030 1 912 86 86 ILE HG12 H 1.302 0.030 2 913 86 86 ILE HG13 H 0.623 0.030 2 914 86 86 ILE HG2 H 0.607 0.030 1 915 86 86 ILE HD1 H 0.301 0.030 1 916 86 86 ILE C C 175.331 0.300 1 917 86 86 ILE CA C 58.777 0.300 1 918 86 86 ILE CB C 37.655 0.300 1 919 86 86 ILE CG1 C 26.640 0.300 1 920 86 86 ILE CG2 C 17.925 0.300 1 921 86 86 ILE CD1 C 11.695 0.300 1 922 86 86 ILE N N 123.798 0.300 1 923 87 87 GLU H H 8.405 0.030 1 924 87 87 GLU HA H 4.895 0.030 1 925 87 87 GLU HB2 H 2.034 0.030 1 926 87 87 GLU HB3 H 2.034 0.030 1 927 87 87 GLU HG2 H 2.317 0.030 2 928 87 87 GLU HG3 H 1.953 0.030 2 929 87 87 GLU C C 175.046 0.300 1 930 87 87 GLU CA C 54.725 0.300 1 931 87 87 GLU CB C 33.253 0.300 1 932 87 87 GLU CG C 37.539 0.300 1 933 87 87 GLU N N 124.820 0.300 1 934 88 88 ILE HA H 4.912 0.030 1 935 88 88 ILE HB H 1.632 0.030 1 936 88 88 ILE HG12 H 1.056 0.030 2 937 88 88 ILE HG13 H 1.791 0.030 2 938 88 88 ILE HG2 H 0.910 0.030 1 939 88 88 ILE HD1 H 1.101 0.030 1 940 88 88 ILE C C 173.310 0.300 1 941 88 88 ILE CA C 60.890 0.300 1 942 88 88 ILE CB C 41.296 0.300 1 943 88 88 ILE CG1 C 28.147 0.300 1 944 88 88 ILE CG2 C 17.971 0.300 1 945 88 88 ILE CD1 C 15.087 0.300 1 946 89 89 PHE H H 9.216 0.030 1 947 89 89 PHE HA H 4.918 0.030 1 948 89 89 PHE HB2 H 3.329 0.030 2 949 89 89 PHE HB3 H 2.653 0.030 2 950 89 89 PHE HD1 H 7.119 0.030 1 951 89 89 PHE HD2 H 7.119 0.030 1 952 89 89 PHE HE1 H 7.198 0.030 1 953 89 89 PHE HE2 H 7.198 0.030 1 954 89 89 PHE C C 176.057 0.300 1 955 89 89 PHE CA C 55.151 0.300 1 956 89 89 PHE CB C 43.144 0.300 1 957 89 89 PHE CD1 C 132.333 0.300 1 958 89 89 PHE CD2 C 132.333 0.300 1 959 89 89 PHE CE1 C 130.897 0.300 1 960 89 89 PHE CE2 C 130.897 0.300 1 961 89 89 PHE N N 122.481 0.300 1 962 90 90 LYS H H 9.171 0.030 1 963 90 90 LYS HA H 4.216 0.030 1 964 90 90 LYS HB2 H 2.044 0.030 2 965 90 90 LYS HB3 H 1.919 0.030 2 966 90 90 LYS HG2 H 1.806 0.030 2 967 90 90 LYS HG3 H 1.728 0.030 2 968 90 90 LYS HD2 H 1.859 0.030 2 969 90 90 LYS HD3 H 1.805 0.030 2 970 90 90 LYS HE2 H 3.107 0.030 1 971 90 90 LYS HE3 H 3.107 0.030 1 972 90 90 LYS C C 176.256 0.300 1 973 90 90 LYS CA C 58.757 0.300 1 974 90 90 LYS CB C 32.481 0.300 1 975 90 90 LYS CG C 25.592 0.300 1 976 90 90 LYS CD C 29.282 0.300 1 977 90 90 LYS CE C 42.220 0.300 1 978 90 90 LYS N N 123.642 0.300 1 979 91 91 SER H H 7.978 0.030 1 980 91 91 SER HA H 4.844 0.030 1 981 91 91 SER HB2 H 3.925 0.030 2 982 91 91 SER HB3 H 3.259 0.030 2 983 91 91 SER C C 173.399 0.300 1 984 91 91 SER CA C 55.121 0.300 1 985 91 91 SER CB C 65.411 0.300 1 986 91 91 SER N N 120.959 0.300 1 987 92 92 SER H H 9.195 0.030 1 988 92 92 SER HA H 4.978 0.030 1 989 92 92 SER HB2 H 4.019 0.030 1 990 92 92 SER HB3 H 4.019 0.030 1 991 92 92 SER C C 173.382 0.300 1 992 92 92 SER CA C 57.315 0.300 1 993 92 92 SER CB C 65.722 0.300 1 994 92 92 SER N N 115.040 0.300 1 995 93 93 ARG H H 8.959 0.030 1 996 93 93 ARG HA H 2.636 0.030 1 997 93 93 ARG HB2 H 1.682 0.030 2 998 93 93 ARG HB3 H 1.571 0.030 2 999 93 93 ARG HG2 H 1.395 0.030 1 1000 93 93 ARG HG3 H 1.395 0.030 1 1001 93 93 ARG HD2 H 3.109 0.030 2 1002 93 93 ARG HD3 H 3.260 0.030 2 1003 93 93 ARG C C 178.041 0.300 1 1004 93 93 ARG CA C 58.672 0.300 1 1005 93 93 ARG CB C 30.002 0.300 1 1006 93 93 ARG CG C 27.147 0.300 1 1007 93 93 ARG CD C 43.129 0.300 1 1008 93 93 ARG N N 122.582 0.300 1 1009 94 94 ALA H H 7.918 0.030 1 1010 94 94 ALA HA H 3.913 0.030 1 1011 94 94 ALA HB H 1.282 0.030 1 1012 94 94 ALA C C 178.790 0.300 1 1013 94 94 ALA CA C 54.022 0.300 1 1014 94 94 ALA CB C 18.508 0.300 1 1015 94 94 ALA N N 118.248 0.300 1 1016 95 95 GLU H H 7.318 0.030 1 1017 95 95 GLU HA H 3.872 0.030 1 1018 95 95 GLU HB2 H 2.076 0.030 2 1019 95 95 GLU HB3 H 1.976 0.030 2 1020 95 95 GLU HG2 H 2.293 0.030 1 1021 95 95 GLU HG3 H 2.293 0.030 1 1022 95 95 GLU C C 176.361 0.300 1 1023 95 95 GLU CA C 57.302 0.300 1 1024 95 95 GLU CB C 30.288 0.300 1 1025 95 95 GLU CG C 37.163 0.300 1 1026 95 95 GLU N N 116.489 0.300 1 1027 96 96 VAL H H 6.737 0.030 1 1028 96 96 VAL HA H 1.685 0.030 1 1029 96 96 VAL HB H 1.555 0.030 1 1030 96 96 VAL HG1 H 0.474 0.030 1 1031 96 96 VAL HG2 H 0.539 0.030 1 1032 96 96 VAL C C 176.204 0.300 1 1033 96 96 VAL CA C 64.547 0.300 1 1034 96 96 VAL CB C 30.879 0.300 1 1035 96 96 VAL CG1 C 22.147 0.300 2 1036 96 96 VAL CG2 C 21.126 0.300 2 1037 96 96 VAL N N 117.811 0.300 1 1038 97 97 ARG H H 6.648 0.030 1 1039 97 97 ARG HA H 4.467 0.030 1 1040 97 97 ARG HB2 H 1.888 0.030 2 1041 97 97 ARG HB3 H 1.743 0.030 2 1042 97 97 ARG HG2 H 1.735 0.030 2 1043 97 97 ARG HG3 H 1.616 0.030 2 1044 97 97 ARG HD2 H 3.262 0.030 2 1045 97 97 ARG HD3 H 3.112 0.030 2 1046 97 97 ARG HE H 7.284 0.030 1 1047 97 97 ARG C C 175.349 0.300 1 1048 97 97 ARG CA C 55.275 0.300 1 1049 97 97 ARG CB C 31.569 0.300 1 1050 97 97 ARG CG C 26.641 0.300 1 1051 97 97 ARG CD C 43.302 0.300 1 1052 97 97 ARG N N 122.046 0.300 1 1053 98 98 THR H H 8.029 0.030 1 1054 98 98 THR HA H 4.288 0.030 1 1055 98 98 THR HB H 4.413 0.030 1 1056 98 98 THR HG2 H 1.169 0.030 1 1057 98 98 THR C C 175.004 0.300 1 1058 98 98 THR CA C 61.879 0.300 1 1059 98 98 THR CB C 69.379 0.300 1 1060 98 98 THR CG2 C 21.793 0.300 1 1061 98 98 THR N N 108.819 0.300 1 1062 99 99 SER H H 7.731 0.030 1 1063 99 99 SER HA H 5.055 0.030 1 1064 99 99 SER HB2 H 3.941 0.030 2 1065 99 99 SER HB3 H 3.891 0.030 2 1066 99 99 SER C C 174.225 0.300 1 1067 99 99 SER CA C 57.596 0.300 1 1068 99 99 SER CB C 65.176 0.300 1 1069 99 99 SER N N 117.233 0.300 1 1070 100 100 GLY H H 7.994 0.030 1 1071 100 100 GLY HA2 H 4.196 0.030 2 1072 100 100 GLY HA3 H 4.028 0.030 2 1073 100 100 GLY C C 179.867 0.300 1 1074 100 100 GLY CA C 45.046 0.300 1 1075 100 100 GLY N N 108.737 0.300 1 1076 101 101 PRO HA H 4.507 0.030 1 1077 101 101 PRO HB2 H 2.301 0.030 2 1078 101 101 PRO HB3 H 1.994 0.030 2 1079 101 101 PRO HG2 H 2.023 0.030 1 1080 101 101 PRO HG3 H 2.023 0.030 1 1081 101 101 PRO HD2 H 3.640 0.030 1 1082 101 101 PRO HD3 H 3.640 0.030 1 1083 101 101 PRO C C 177.057 0.300 1 1084 101 101 PRO CA C 63.027 0.300 1 1085 101 101 PRO CB C 32.248 0.300 1 1086 101 101 PRO CG C 27.048 0.300 1 1087 101 101 PRO CD C 49.702 0.300 1 1088 102 102 SER H H 8.535 0.030 1 1089 102 102 SER HA H 4.500 0.030 1 1090 102 102 SER HB2 H 3.900 0.030 1 1091 102 102 SER HB3 H 3.900 0.030 1 1092 102 102 SER C C 174.835 0.300 1 1093 102 102 SER CA C 58.685 0.300 1 1094 102 102 SER CB C 64.143 0.300 1 1095 102 102 SER N N 115.919 0.300 1 stop_ save_