data_25494 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; First and second KH domains of hnRNP E1 ; _BMRB_accession_number 25494 _BMRB_flat_file_name bmr25494.str _Entry_type original _Submission_date 2015-02-19 _Accession_date 2015-02-19 _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 Li Yang . . 2 Hennig Mirko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 527 "13C chemical shifts" 421 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-30 original BMRB . stop_ _Original_release_date 2016-06-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (15)N and (13)C backbone resonance assignments of the N-terminal, tandem KH domains of human hnRNP E1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26143480 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yang . . 2 Mirko Hennig . . stop_ _Journal_abbreviation 'Biomol NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 431 _Page_last 434 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'First and Second KH domains of hnRNP E1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common First_and_Second_KH_domains_of_hnRNP_E1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MLTIRLLMHGKEVGSIIGKK GESVKRIREESGARINISEG NSPERIITLTGPTNAIFKAF AMIIDKLEEDINSSMTNSTA ASRPPVTLRLVVPATQAGSL IGKGGAKIKEIRESTGAQVQ VAGDMLPNSTERAITIAGVP QSVTEAVKQISLVMLETLWL EHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 MET 2 14 LEU 3 15 THR 4 16 ILE 5 17 ARG 6 18 LEU 7 19 LEU 8 20 MET 9 21 HIS 10 22 GLY 11 23 LYS 12 24 GLU 13 25 VAL 14 26 GLY 15 27 SER 16 28 ILE 17 29 ILE 18 30 GLY 19 31 LYS 20 32 LYS 21 33 GLY 22 34 GLU 23 35 SER 24 36 VAL 25 37 LYS 26 38 ARG 27 39 ILE 28 40 ARG 29 41 GLU 30 42 GLU 31 43 SER 32 44 GLY 33 45 ALA 34 46 ARG 35 47 ILE 36 48 ASN 37 49 ILE 38 50 SER 39 51 GLU 40 52 GLY 41 53 ASN 42 54 SER 43 55 PRO 44 56 GLU 45 57 ARG 46 58 ILE 47 59 ILE 48 60 THR 49 61 LEU 50 62 THR 51 63 GLY 52 64 PRO 53 65 THR 54 66 ASN 55 67 ALA 56 68 ILE 57 69 PHE 58 70 LYS 59 71 ALA 60 72 PHE 61 73 ALA 62 74 MET 63 75 ILE 64 76 ILE 65 77 ASP 66 78 LYS 67 79 LEU 68 80 GLU 69 81 GLU 70 82 ASP 71 83 ILE 72 84 ASN 73 85 SER 74 86 SER 75 87 MET 76 88 THR 77 89 ASN 78 90 SER 79 91 THR 80 92 ALA 81 93 ALA 82 94 SER 83 95 ARG 84 96 PRO 85 97 PRO 86 98 VAL 87 99 THR 88 100 LEU 89 101 ARG 90 102 LEU 91 103 VAL 92 104 VAL 93 105 PRO 94 106 ALA 95 107 THR 96 108 GLN 97 109 ALA 98 110 GLY 99 111 SER 100 112 LEU 101 113 ILE 102 114 GLY 103 115 LYS 104 116 GLY 105 117 GLY 106 118 ALA 107 119 LYS 108 120 ILE 109 121 LYS 110 122 GLU 111 123 ILE 112 124 ARG 113 125 GLU 114 126 SER 115 127 THR 116 128 GLY 117 129 ALA 118 130 GLN 119 131 VAL 120 132 GLN 121 133 VAL 122 134 ALA 123 135 GLY 124 136 ASP 125 137 MET 126 138 LEU 127 139 PRO 128 140 ASN 129 141 SER 130 142 THR 131 143 GLU 132 144 ARG 133 145 ALA 134 146 ILE 135 147 THR 136 148 ILE 137 149 ALA 138 150 GLY 139 151 VAL 140 152 PRO 141 153 GLN 142 154 SER 143 155 VAL 144 156 THR 145 157 GLU 146 158 ALA 147 159 VAL 148 160 LYS 149 161 GLN 150 162 ILE 151 163 SER 152 164 LEU 153 165 VAL 154 166 MET 155 167 LEU 156 168 GLU 157 169 THR 158 170 LEU 159 171 TRP 160 172 LEU 161 173 GLU 162 174 HIS 163 175 HIS 164 176 HIS 165 177 HIS 166 178 HIS 167 179 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukarya 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_name $entity 'recombinant technology' . Escherichia coli . pET-23a 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 300 uM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 300 uM [U-15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 300 uM '[U-13C; U-15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 800 . mM pH 5.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D HNHA' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 14 2 LEU H H 8.786 0.007 1 2 14 2 LEU HA H 4.479 0.000 1 3 14 2 LEU HB2 H 1.695 0.000 2 4 14 2 LEU HB3 H 1.538 0.000 2 5 14 2 LEU C C 174.579 0.000 1 6 14 2 LEU CA C 55.102 0.000 1 7 14 2 LEU CB C 44.164 0.056 1 8 14 2 LEU N N 125.884 0.049 1 9 15 3 THR H H 7.929 0.007 1 10 15 3 THR HA H 5.215 0.000 1 11 15 3 THR HB H 3.861 0.000 1 12 15 3 THR C C 173.688 0.000 1 13 15 3 THR CA C 61.768 0.000 1 14 15 3 THR CB C 71.203 0.024 1 15 15 3 THR N N 118.900 0.057 1 16 16 4 ILE H H 9.046 0.006 1 17 16 4 ILE HA H 4.536 0.000 1 18 16 4 ILE HB H 1.750 0.007 1 19 16 4 ILE C C 173.618 0.000 1 20 16 4 ILE CA C 58.794 0.000 1 21 16 4 ILE CB C 40.763 0.066 1 22 16 4 ILE N N 126.517 0.055 1 23 17 5 ARG H H 9.050 0.005 1 24 17 5 ARG HA H 4.517 0.000 1 25 17 5 ARG HB2 H 1.770 0.000 1 26 17 5 ARG HB3 H 1.770 0.000 1 27 17 5 ARG C C 174.555 0.000 1 28 17 5 ARG CA C 54.826 0.000 1 29 17 5 ARG CB C 32.937 0.068 1 30 17 5 ARG N N 126.811 0.060 1 31 18 6 LEU H H 9.249 0.007 1 32 18 6 LEU HA H 5.394 0.020 1 33 18 6 LEU HB2 H 1.682 0.000 1 34 18 6 LEU HB3 H 1.682 0.000 1 35 18 6 LEU C C 175.444 0.000 1 36 18 6 LEU CA C 52.799 0.029 1 37 18 6 LEU CB C 44.835 0.000 1 38 18 6 LEU N N 122.284 0.040 1 39 19 7 LEU H H 8.724 0.005 1 40 19 7 LEU HA H 4.854 0.024 1 41 19 7 LEU HB2 H 1.259 0.000 2 42 19 7 LEU HB3 H 1.232 0.000 2 43 19 7 LEU C C 176.266 0.000 1 44 19 7 LEU CA C 54.058 0.046 1 45 19 7 LEU CB C 43.670 0.000 1 46 19 7 LEU N N 124.227 0.043 1 47 20 8 MET H H 9.146 0.007 1 48 20 8 MET HA H 4.837 0.012 1 49 20 8 MET HB2 H 2.070 0.000 1 50 20 8 MET HB3 H 2.070 0.000 1 51 20 8 MET C C 174.656 0.000 1 52 20 8 MET CA C 54.610 0.094 1 53 20 8 MET CB C 37.085 0.000 1 54 20 8 MET N N 126.685 0.058 1 55 21 9 HIS H H 8.830 0.005 1 56 21 9 HIS HA H 5.066 0.019 1 57 21 9 HIS HB2 H 3.482 0.000 2 58 21 9 HIS HB3 H 3.102 0.000 2 59 21 9 HIS CA C 54.661 0.072 1 60 21 9 HIS CB C 30.472 0.000 1 61 21 9 HIS N N 118.403 0.034 1 62 22 10 GLY H H 9.006 0.004 1 63 22 10 GLY HA2 H 3.673 0.000 1 64 22 10 GLY HA3 H 3.673 0.000 1 65 22 10 GLY C C 176.764 0.000 1 66 22 10 GLY CA C 48.111 0.000 1 67 22 10 GLY N N 111.105 0.041 1 68 23 11 LYS H H 9.155 0.012 1 69 23 11 LYS HA H 4.143 0.000 1 70 23 11 LYS HB2 H 1.884 0.000 1 71 23 11 LYS HB3 H 1.884 0.000 1 72 23 11 LYS C C 178.761 0.000 1 73 23 11 LYS CA C 59.157 0.000 1 74 23 11 LYS CB C 32.194 0.000 1 75 23 11 LYS N N 123.420 0.048 1 76 24 12 GLU H H 7.588 0.005 1 77 24 12 GLU HA H 4.084 0.000 1 78 24 12 GLU HB2 H 1.940 0.017 2 79 24 12 GLU HB3 H 1.916 0.000 2 80 24 12 GLU C C 178.516 0.000 1 81 24 12 GLU CA C 58.914 0.000 1 82 24 12 GLU CB C 30.194 0.054 1 83 24 12 GLU N N 118.709 0.059 1 84 25 13 VAL H H 7.750 0.008 1 85 25 13 VAL HA H 3.549 0.012 1 86 25 13 VAL HB H 2.094 0.011 1 87 25 13 VAL C C 177.719 0.000 1 88 25 13 VAL CA C 66.475 0.096 1 89 25 13 VAL CB C 31.436 0.019 1 90 25 13 VAL N N 117.161 0.043 1 91 26 14 GLY H H 8.048 0.006 1 92 26 14 GLY HA2 H 3.939 0.000 2 93 26 14 GLY HA3 H 3.811 0.000 2 94 26 14 GLY C C 176.909 0.000 1 95 26 14 GLY CA C 47.258 0.000 1 96 26 14 GLY N N 106.385 0.035 1 97 27 15 SER H H 7.675 0.004 1 98 27 15 SER HA H 4.264 0.000 1 99 27 15 SER HB2 H 3.940 0.000 1 100 27 15 SER HB3 H 3.940 0.000 1 101 27 15 SER C C 175.472 0.000 1 102 27 15 SER CA C 61.311 0.000 1 103 27 15 SER CB C 63.025 0.034 1 104 27 15 SER N N 117.347 0.032 1 105 28 16 ILE H H 7.580 0.003 1 106 28 16 ILE HA H 3.947 0.000 1 107 28 16 ILE HB H 1.720 0.000 1 108 28 16 ILE C C 176.470 0.000 1 109 28 16 ILE CA C 63.348 0.000 1 110 28 16 ILE CB C 37.122 0.000 1 111 28 16 ILE N N 118.165 0.000 1 112 29 17 ILE H H 8.204 0.005 1 113 29 17 ILE HA H 3.714 0.000 1 114 29 17 ILE HB H 1.944 0.010 1 115 29 17 ILE C C 178.966 0.000 1 116 29 17 ILE CA C 65.404 0.000 1 117 29 17 ILE CB C 38.740 0.042 1 118 29 17 ILE N N 117.527 0.044 1 119 30 18 GLY H H 7.815 0.004 1 120 30 18 GLY HA2 H 4.236 0.000 2 121 30 18 GLY HA3 H 3.991 0.000 2 122 30 18 GLY C C 174.362 0.000 1 123 30 18 GLY CA C 44.001 0.000 1 124 30 18 GLY N N 106.401 0.033 1 125 31 19 LYS H H 9.031 0.004 1 126 31 19 LYS HA H 4.154 0.000 1 127 31 19 LYS HB2 H 1.831 0.000 1 128 31 19 LYS HB3 H 1.831 0.000 1 129 31 19 LYS CA C 57.939 0.000 1 130 31 19 LYS CB C 33.947 0.000 1 131 31 19 LYS N N 123.255 0.032 1 132 32 20 LYS H H 9.525 0.011 1 133 32 20 LYS HA H 4.140 0.000 1 134 32 20 LYS HB2 H 1.833 0.000 1 135 32 20 LYS HB3 H 1.833 0.000 1 136 32 20 LYS N N 122.017 0.083 1 137 33 21 GLY H H 7.666 0.008 1 138 33 21 GLY HA2 H 3.856 0.000 1 139 33 21 GLY HA3 H 3.856 0.000 1 140 33 21 GLY CA C 46.456 0.000 1 141 33 21 GLY N N 106.105 0.172 1 142 34 22 GLU C C 178.690 0.000 1 143 35 23 SER H H 7.890 0.007 1 144 35 23 SER HA H 4.224 0.000 1 145 35 23 SER HB2 H 3.704 0.000 1 146 35 23 SER HB3 H 3.704 0.000 1 147 35 23 SER C C 176.415 0.000 1 148 35 23 SER CA C 60.979 0.000 1 149 35 23 SER CB C 61.833 0.000 1 150 35 23 SER N N 115.448 0.041 1 151 36 24 VAL H H 7.841 0.005 1 152 36 24 VAL HA H 4.047 0.000 1 153 36 24 VAL HB H 1.919 0.000 1 154 36 24 VAL C C 176.483 0.000 1 155 36 24 VAL CA C 65.380 0.000 1 156 36 24 VAL CB C 30.695 0.000 1 157 36 24 VAL N N 122.060 0.034 1 158 37 25 LYS H H 7.661 0.005 1 159 37 25 LYS HA H 4.064 0.000 1 160 37 25 LYS HB2 H 1.890 0.000 1 161 37 25 LYS HB3 H 1.890 0.000 1 162 37 25 LYS C C 177.999 0.000 1 163 37 25 LYS CA C 60.451 0.000 1 164 37 25 LYS CB C 32.882 0.068 1 165 37 25 LYS N N 122.936 0.026 1 166 38 26 ARG H H 7.406 0.000 1 167 38 26 ARG HA H 4.058 0.000 1 168 38 26 ARG HB2 H 2.023 0.000 1 169 38 26 ARG HB3 H 2.023 0.000 1 170 38 26 ARG C C 178.812 0.000 1 171 38 26 ARG CA C 59.362 0.000 1 172 38 26 ARG CB C 29.640 0.045 1 173 38 26 ARG N N 119.049 0.035 1 174 39 27 ILE H H 8.320 0.006 1 175 39 27 ILE HA H 3.972 0.000 1 176 39 27 ILE HB H 2.050 0.000 1 177 39 27 ILE C C 180.544 0.000 1 178 39 27 ILE CA C 65.736 0.000 1 179 39 27 ILE CB C 38.299 0.000 1 180 39 27 ILE N N 118.809 0.032 1 181 40 28 ARG H H 8.760 0.004 1 182 40 28 ARG HA H 3.949 0.000 1 183 40 28 ARG HB2 H 2.041 0.000 1 184 40 28 ARG HB3 H 2.041 0.000 1 185 40 28 ARG C C 178.377 0.000 1 186 40 28 ARG CA C 60.702 0.000 1 187 40 28 ARG CB C 30.917 0.000 1 188 40 28 ARG N N 123.418 0.052 1 189 41 29 GLU H H 8.372 0.000 1 190 41 29 GLU HA H 4.220 0.000 1 191 41 29 GLU HB2 H 2.011 0.000 2 192 41 29 GLU HB3 H 2.006 0.000 2 193 41 29 GLU C C 179.213 0.000 1 194 41 29 GLU CA C 59.472 0.000 1 195 41 29 GLU CB C 29.664 0.000 1 196 41 29 GLU N N 118.798 0.042 1 197 42 30 GLU H H 8.753 0.005 1 198 42 30 GLU HA H 4.227 0.000 1 199 42 30 GLU HB2 H 2.021 0.000 1 200 42 30 GLU HB3 H 2.021 0.000 1 201 42 30 GLU C C 178.300 0.000 1 202 42 30 GLU CA C 58.333 0.000 1 203 42 30 GLU CB C 29.963 0.000 1 204 42 30 GLU N N 115.925 0.035 1 205 43 31 SER H H 8.175 0.006 1 206 43 31 SER HA H 4.229 0.000 1 207 43 31 SER HB2 H 3.848 0.000 1 208 43 31 SER HB3 H 3.848 0.000 1 209 43 31 SER C C 175.071 0.000 1 210 43 31 SER CA C 60.907 0.000 1 211 43 31 SER CB C 64.731 0.000 1 212 43 31 SER N N 111.547 0.037 1 213 44 32 GLY H H 7.768 0.006 1 214 44 32 GLY HA2 H 4.233 0.000 2 215 44 32 GLY HA3 H 3.824 0.000 2 216 44 32 GLY C C 174.374 0.000 1 217 44 32 GLY CA C 45.834 0.000 1 218 44 32 GLY N N 109.279 0.043 1 219 45 33 ALA H H 8.423 0.006 1 220 45 33 ALA HA H 4.390 0.000 1 221 45 33 ALA HB H 1.377 0.000 1 222 45 33 ALA C C 176.412 0.000 1 223 45 33 ALA CA C 51.162 0.000 1 224 45 33 ALA CB C 18.596 0.000 1 225 45 33 ALA N N 123.178 0.040 1 226 46 34 ARG H H 8.523 0.007 1 227 46 34 ARG HA H 4.489 0.000 1 228 46 34 ARG HB2 H 1.744 0.000 1 229 46 34 ARG HB3 H 1.744 0.000 1 230 46 34 ARG C C 176.053 0.000 1 231 46 34 ARG CA C 55.816 0.000 1 232 46 34 ARG CB C 29.992 0.000 1 233 46 34 ARG N N 120.624 0.038 1 234 47 35 ILE H H 8.594 0.003 1 235 47 35 ILE HA H 5.030 0.007 1 236 47 35 ILE HB H 1.491 0.000 1 237 47 35 ILE C C 174.613 0.000 1 238 47 35 ILE CA C 59.950 0.072 1 239 47 35 ILE CB C 40.493 0.000 1 240 47 35 ILE N N 123.337 0.048 1 241 48 36 ASN H H 8.929 0.005 1 242 48 36 ASN HA H 5.150 0.006 1 243 48 36 ASN HB2 H 2.698 0.000 2 244 48 36 ASN HB3 H 2.531 0.000 2 245 48 36 ASN C C 173.084 0.000 1 246 48 36 ASN CA C 51.963 0.060 1 247 48 36 ASN CB C 42.402 0.000 1 248 48 36 ASN N N 126.245 0.055 1 249 49 37 ILE H H 8.922 0.007 1 250 49 37 ILE HA H 4.739 0.000 1 251 49 37 ILE HB H 1.734 0.000 1 252 49 37 ILE C C 175.763 0.000 1 253 49 37 ILE CA C 60.548 0.000 1 254 49 37 ILE CB C 39.560 0.000 1 255 49 37 ILE N N 124.134 0.031 1 256 50 38 SER H H 8.600 0.004 1 257 50 38 SER HA H 4.320 0.000 1 258 50 38 SER HB2 H 4.045 0.000 1 259 50 38 SER HB3 H 4.045 0.000 1 260 50 38 SER C C 173.670 0.000 1 261 50 38 SER CA C 59.599 0.000 1 262 50 38 SER CB C 63.764 0.000 1 263 50 38 SER N N 123.928 0.028 1 264 51 39 GLU H H 8.681 0.003 1 265 51 39 GLU HA H 4.340 0.000 1 266 51 39 GLU HB2 H 2.105 0.000 2 267 51 39 GLU HB3 H 1.985 0.000 2 268 51 39 GLU C C 176.938 0.000 1 269 51 39 GLU CA C 56.561 0.000 1 270 51 39 GLU CB C 30.968 0.000 1 271 51 39 GLU N N 121.149 0.039 1 272 52 40 GLY H H 8.502 0.004 1 273 52 40 GLY HA2 H 4.211 0.000 2 274 52 40 GLY HA3 H 3.922 0.000 2 275 52 40 GLY C C 173.471 0.000 1 276 52 40 GLY CA C 45.178 0.000 1 277 52 40 GLY N N 110.104 0.043 1 278 53 41 ASN H H 8.477 0.004 1 279 53 41 ASN HA H 4.828 0.000 1 280 53 41 ASN HB2 H 2.800 0.000 1 281 53 41 ASN HB3 H 2.800 0.000 1 282 53 41 ASN C C 175.190 0.000 1 283 53 41 ASN CA C 52.863 0.000 1 284 53 41 ASN CB C 38.383 0.000 1 285 53 41 ASN N N 118.226 0.038 1 286 54 42 SER H H 7.812 0.004 1 287 54 42 SER HA H 4.827 0.000 1 288 54 42 SER HB2 H 4.087 0.000 2 289 54 42 SER HB3 H 3.880 0.000 2 290 54 42 SER CA C 56.613 0.000 1 291 54 42 SER CB C 63.985 0.000 1 292 54 42 SER N N 116.556 0.040 1 293 55 43 PRO C C 177.070 0.000 1 294 56 44 GLU H H 7.603 0.004 1 295 56 44 GLU HA H 4.823 0.000 1 296 56 44 GLU HB2 H 2.039 0.000 1 297 56 44 GLU HB3 H 2.039 0.000 1 298 56 44 GLU C C 175.554 0.000 1 299 56 44 GLU CA C 55.045 0.000 1 300 56 44 GLU CB C 30.615 0.000 1 301 56 44 GLU N N 115.633 0.038 1 302 57 45 ARG H H 8.619 0.006 1 303 57 45 ARG HA H 4.499 0.000 1 304 57 45 ARG HB2 H 1.544 0.000 2 305 57 45 ARG HB3 H 1.542 0.000 2 306 57 45 ARG C C 173.885 0.000 1 307 57 45 ARG CA C 53.648 0.000 1 308 57 45 ARG CB C 33.774 0.000 1 309 57 45 ARG N N 121.433 0.034 1 310 58 46 ILE H H 8.476 0.006 1 311 58 46 ILE HA H 5.157 0.003 1 312 58 46 ILE HB H 1.684 0.000 1 313 58 46 ILE HG12 H 0.745 0.000 1 314 58 46 ILE HG13 H 0.745 0.000 1 315 58 46 ILE C C 177.072 0.000 1 316 58 46 ILE CA C 59.102 0.112 1 317 58 46 ILE CB C 33.552 0.000 1 318 58 46 ILE N N 121.460 0.042 1 319 59 47 ILE H H 9.482 0.008 1 320 59 47 ILE HA H 4.909 0.014 1 321 59 47 ILE HB H 1.817 0.000 1 322 59 47 ILE HG12 H 0.757 0.000 1 323 59 47 ILE HG13 H 0.757 0.000 1 324 59 47 ILE C C 174.774 0.000 1 325 59 47 ILE CA C 59.896 0.065 1 326 59 47 ILE CB C 39.432 0.000 1 327 59 47 ILE N N 130.540 0.055 1 328 60 48 THR H H 9.307 0.007 1 329 60 48 THR HA H 5.057 0.016 1 330 60 48 THR HB H 3.927 0.011 1 331 60 48 THR C C 173.802 0.000 1 332 60 48 THR CA C 62.462 0.097 1 333 60 48 THR CB C 69.695 0.086 1 334 60 48 THR N N 123.843 0.056 1 335 61 49 LEU H H 9.562 0.005 1 336 61 49 LEU HA H 5.019 0.000 1 337 61 49 LEU HB2 H 1.735 0.000 1 338 61 49 LEU HB3 H 1.735 0.000 1 339 61 49 LEU C C 175.347 0.000 1 340 61 49 LEU CA C 53.714 0.000 1 341 61 49 LEU CB C 44.782 0.000 1 342 61 49 LEU N N 128.477 0.049 1 343 62 50 THR H H 8.731 0.004 1 344 62 50 THR HA H 5.345 0.021 1 345 62 50 THR HB H 4.007 0.008 1 346 62 50 THR C C 173.184 0.000 1 347 62 50 THR CA C 60.673 0.098 1 348 62 50 THR CB C 72.059 0.035 1 349 62 50 THR N N 115.197 0.044 1 350 63 51 GLY H H 8.247 0.005 1 351 63 51 GLY HA2 H 4.012 0.000 1 352 63 51 GLY HA3 H 4.012 0.000 1 353 63 51 GLY CA C 44.769 0.000 1 354 63 51 GLY N N 110.946 0.038 1 355 64 52 PRO C C 177.519 0.000 1 356 65 53 THR H H 8.849 0.007 1 357 65 53 THR HA H 3.397 0.000 1 358 65 53 THR HB H 3.848 0.000 1 359 65 53 THR C C 175.184 0.000 1 360 65 53 THR CA C 67.187 0.053 1 361 65 53 THR CB C 68.147 0.059 1 362 65 53 THR N N 119.562 0.060 1 363 66 54 ASN H H 8.836 0.006 1 364 66 54 ASN HA H 4.293 0.011 1 365 66 54 ASN HB2 H 2.773 0.000 1 366 66 54 ASN HB3 H 2.773 0.000 1 367 66 54 ASN C C 177.729 0.000 1 368 66 54 ASN CA C 56.557 0.016 1 369 66 54 ASN CB C 37.293 0.000 1 370 66 54 ASN N N 115.918 0.053 1 371 67 55 ALA H H 7.090 0.006 1 372 67 55 ALA HA H 4.387 0.000 1 373 67 55 ALA HB H 1.383 0.000 1 374 67 55 ALA C C 179.571 0.000 1 375 67 55 ALA CA C 54.847 0.000 1 376 67 55 ALA CB C 18.633 0.000 1 377 67 55 ALA N N 123.202 0.041 1 378 68 56 ILE H H 7.834 0.010 1 379 68 56 ILE HA H 3.274 0.000 1 380 68 56 ILE HB H 1.770 0.000 1 381 68 56 ILE C C 178.051 0.000 1 382 68 56 ILE CA C 64.636 0.008 1 383 68 56 ILE CB C 36.721 0.000 1 384 68 56 ILE N N 118.175 0.042 1 385 69 57 PHE H H 8.270 0.004 1 386 69 57 PHE HA H 4.489 0.000 1 387 69 57 PHE HB2 H 3.216 0.000 1 388 69 57 PHE HB3 H 3.216 0.000 1 389 69 57 PHE C C 179.245 0.000 1 390 69 57 PHE CA C 60.095 0.000 1 391 69 57 PHE CB C 36.515 0.000 1 392 69 57 PHE N N 117.253 0.046 1 393 70 58 LYS H H 7.898 0.006 1 394 70 58 LYS HA H 4.314 0.000 1 395 70 58 LYS HB2 H 1.919 0.000 1 396 70 58 LYS HB3 H 1.919 0.000 1 397 70 58 LYS C C 178.372 0.000 1 398 70 58 LYS CA C 59.765 0.000 1 399 70 58 LYS CB C 32.206 0.000 1 400 70 58 LYS N N 122.819 0.059 1 401 71 59 ALA H H 8.351 0.005 1 402 71 59 ALA HA H 4.470 0.000 1 403 71 59 ALA HB H 1.360 0.000 1 404 71 59 ALA C C 179.690 0.000 1 405 71 59 ALA CA C 55.651 0.000 1 406 71 59 ALA CB C 17.530 0.000 1 407 71 59 ALA N N 121.963 0.055 1 408 72 60 PHE H H 8.947 0.004 1 409 72 60 PHE HA H 4.039 0.000 1 410 72 60 PHE HB2 H 3.193 0.000 2 411 72 60 PHE HB3 H 3.009 0.000 2 412 72 60 PHE C C 177.143 0.000 1 413 72 60 PHE CA C 61.332 0.000 1 414 72 60 PHE CB C 38.982 0.000 1 415 72 60 PHE N N 116.331 0.032 1 416 73 61 ALA H H 7.790 0.005 1 417 73 61 ALA HA H 4.016 0.000 1 418 73 61 ALA HB H 1.588 0.000 1 419 73 61 ALA C C 179.915 0.000 1 420 73 61 ALA CA C 55.595 0.000 1 421 73 61 ALA CB C 18.060 0.000 1 422 73 61 ALA N N 120.413 0.039 1 423 74 62 MET H H 7.816 0.005 1 424 74 62 MET HA H 3.924 0.000 1 425 74 62 MET HB2 H 2.158 0.000 1 426 74 62 MET HB3 H 2.158 0.000 1 427 74 62 MET C C 179.548 0.000 1 428 74 62 MET CA C 59.627 0.000 1 429 74 62 MET CB C 34.232 0.000 1 430 74 62 MET N N 116.237 0.044 1 431 75 63 ILE H H 8.449 0.006 1 432 75 63 ILE HA H 4.001 0.000 1 433 75 63 ILE HB H 1.965 0.000 1 434 75 63 ILE C C 176.907 0.000 1 435 75 63 ILE CA C 66.286 0.000 1 436 75 63 ILE CB C 38.188 0.000 1 437 75 63 ILE N N 122.118 0.051 1 438 76 64 ILE H H 8.404 0.003 1 439 76 64 ILE HA H 3.483 0.000 1 440 76 64 ILE HB H 1.908 0.000 1 441 76 64 ILE C C 177.452 0.000 1 442 76 64 ILE CA C 65.700 0.000 1 443 76 64 ILE CB C 36.977 0.000 1 444 76 64 ILE N N 120.400 0.047 1 445 77 65 ASP H H 8.018 0.004 1 446 77 65 ASP HA H 4.381 0.000 1 447 77 65 ASP HB2 H 2.806 0.000 1 448 77 65 ASP HB3 H 2.806 0.000 1 449 77 65 ASP C C 179.140 0.000 1 450 77 65 ASP CA C 57.652 0.000 1 451 77 65 ASP CB C 40.287 0.000 1 452 77 65 ASP N N 118.881 0.034 1 453 78 66 LYS H H 7.599 0.004 1 454 78 66 LYS HA H 4.139 0.000 1 455 78 66 LYS HB2 H 1.954 0.000 1 456 78 66 LYS HB3 H 1.954 0.000 1 457 78 66 LYS C C 178.905 0.000 1 458 78 66 LYS CA C 57.599 0.000 1 459 78 66 LYS CB C 30.942 0.000 1 460 78 66 LYS N N 120.046 0.040 1 461 79 67 LEU H H 8.269 0.006 1 462 79 67 LEU HA H 4.137 0.000 1 463 79 67 LEU HB2 H 1.942 0.000 1 464 79 67 LEU HB3 H 1.942 0.000 1 465 79 67 LEU C C 180.422 0.000 1 466 79 67 LEU CA C 57.942 0.000 1 467 79 67 LEU CB C 41.481 0.000 1 468 79 67 LEU N N 120.082 0.033 1 469 80 68 GLU H H 8.550 0.004 1 470 80 68 GLU HA H 4.159 0.000 1 471 80 68 GLU HB2 H 2.180 0.000 1 472 80 68 GLU HB3 H 2.180 0.000 1 473 80 68 GLU C C 177.976 0.000 1 474 80 68 GLU CA C 58.352 0.000 1 475 80 68 GLU CB C 28.667 0.000 1 476 80 68 GLU N N 119.134 0.060 1 477 81 69 GLU H H 8.102 0.004 1 478 81 69 GLU HA H 4.096 0.000 1 479 81 69 GLU HB2 H 2.203 0.000 1 480 81 69 GLU HB3 H 2.203 0.000 1 481 81 69 GLU C C 178.820 0.000 1 482 81 69 GLU CA C 59.247 0.000 1 483 81 69 GLU CB C 29.367 0.000 1 484 81 69 GLU N N 120.651 0.033 1 485 82 70 ASP H H 7.928 0.004 1 486 82 70 ASP HA H 4.563 0.000 1 487 82 70 ASP HB2 H 2.777 0.000 1 488 82 70 ASP HB3 H 2.777 0.000 1 489 82 70 ASP C C 178.595 0.000 1 490 82 70 ASP CA C 56.631 0.000 1 491 82 70 ASP CB C 40.799 0.000 1 492 82 70 ASP N N 119.234 0.035 1 493 83 71 ILE H H 7.941 0.005 1 494 83 71 ILE HA H 3.890 0.015 1 495 83 71 ILE HB H 1.963 0.000 1 496 83 71 ILE C C 178.184 0.000 1 497 83 71 ILE CA C 64.495 0.000 1 498 83 71 ILE CB C 38.293 0.000 1 499 83 71 ILE N N 121.518 0.044 1 500 84 72 ASN H H 8.426 0.005 1 501 84 72 ASN HA H 4.598 0.000 1 502 84 72 ASN HB2 H 2.883 0.000 1 503 84 72 ASN HB3 H 2.883 0.000 1 504 84 72 ASN C C 177.218 0.000 1 505 84 72 ASN CA C 55.383 0.000 1 506 84 72 ASN CB C 38.535 0.000 1 507 84 72 ASN N N 119.462 0.048 1 508 85 73 SER H H 8.221 0.006 1 509 85 73 SER HA H 4.403 0.000 1 510 85 73 SER HB2 H 4.034 0.000 1 511 85 73 SER HB3 H 4.034 0.000 1 512 85 73 SER C C 175.323 0.000 1 513 85 73 SER CA C 60.300 0.000 1 514 85 73 SER CB C 63.418 0.000 1 515 85 73 SER N N 115.307 0.052 1 516 86 74 SER H H 7.981 0.007 1 517 86 74 SER HA H 4.540 0.000 1 518 86 74 SER HB2 H 3.992 0.000 1 519 86 74 SER HB3 H 3.992 0.000 1 520 86 74 SER C C 174.830 0.000 1 521 86 74 SER CA C 59.279 0.000 1 522 86 74 SER CB C 63.897 0.000 1 523 86 74 SER N N 116.532 0.059 1 524 87 75 MET H H 7.954 0.006 1 525 87 75 MET HA H 4.615 0.000 1 526 87 75 MET HB2 H 2.647 0.000 1 527 87 75 MET C C 176.740 0.000 1 528 87 75 MET CA C 55.658 0.000 1 529 87 75 MET CB C 32.648 0.000 1 530 87 75 MET N N 121.435 0.042 1 531 88 76 THR H H 8.098 0.005 1 532 88 76 THR HA H 4.313 0.000 1 533 88 76 THR HB H 4.271 0.000 1 534 88 76 THR C C 174.683 0.000 1 535 88 76 THR CA C 62.916 0.000 1 536 88 76 THR CB C 69.574 0.079 1 537 88 76 THR N N 114.534 0.039 1 538 89 77 ASN H H 8.426 0.004 1 539 89 77 ASN HA H 4.786 0.004 1 540 89 77 ASN HB2 H 2.850 0.000 1 541 89 77 ASN HB3 H 2.850 0.000 1 542 89 77 ASN C C 175.296 0.000 1 543 89 77 ASN CA C 53.398 0.060 1 544 89 77 ASN CB C 38.698 0.000 1 545 89 77 ASN N N 119.937 0.042 1 546 90 78 SER H H 8.186 0.004 1 547 90 78 SER HA H 4.544 0.000 1 548 90 78 SER HB2 H 3.914 0.000 1 549 90 78 SER HB3 H 3.914 0.000 1 550 90 78 SER C C 175.078 0.000 1 551 90 78 SER CA C 58.723 0.000 1 552 90 78 SER CB C 64.028 0.000 1 553 90 78 SER N N 115.442 0.043 1 554 91 79 THR H H 8.218 0.004 1 555 91 79 THR HA H 4.435 0.000 1 556 91 79 THR HB H 4.396 0.001 1 557 91 79 THR C C 174.739 0.000 1 558 91 79 THR CA C 61.917 0.000 1 559 91 79 THR CB C 69.681 0.038 1 560 91 79 THR N N 114.767 0.040 1 561 92 80 ALA H H 8.248 0.003 1 562 92 80 ALA HA H 4.277 0.005 1 563 92 80 ALA HB H 1.416 0.000 1 564 92 80 ALA C C 177.792 0.000 1 565 92 80 ALA CA C 53.155 0.065 1 566 92 80 ALA CB C 19.028 0.000 1 567 92 80 ALA N N 125.472 0.036 1 568 93 81 ALA H H 8.173 0.010 1 569 93 81 ALA HA H 4.271 0.000 1 570 93 81 ALA HB H 1.409 0.000 1 571 93 81 ALA C C 177.714 0.000 1 572 93 81 ALA CA C 52.965 0.000 1 573 93 81 ALA CB C 19.253 0.000 1 574 93 81 ALA N N 121.632 0.045 1 575 94 82 SER H H 7.915 0.003 1 576 94 82 SER HA H 4.470 0.000 1 577 94 82 SER HB2 H 3.838 0.000 1 578 94 82 SER HB3 H 3.838 0.000 1 579 94 82 SER C C 173.811 0.000 1 580 94 82 SER CA C 57.919 0.000 1 581 94 82 SER CB C 64.029 0.000 1 582 94 82 SER N N 113.484 0.036 1 583 95 83 ARG H H 8.249 0.005 1 584 95 83 ARG HA H 4.647 0.000 1 585 95 83 ARG HB2 H 1.726 0.000 1 586 95 83 ARG HB3 H 1.726 0.000 1 587 95 83 ARG CA C 54.118 0.000 1 588 95 83 ARG CB C 30.431 0.000 1 589 95 83 ARG N N 123.811 0.033 1 590 97 85 PRO C C 176.517 0.000 1 591 98 86 VAL H H 8.283 0.004 1 592 98 86 VAL HA H 4.612 0.000 1 593 98 86 VAL HB H 2.040 0.000 1 594 98 86 VAL CA C 61.487 0.000 1 595 98 86 VAL CB C 33.619 0.000 1 596 98 86 VAL N N 118.072 0.039 1 597 99 87 THR H H 8.101 0.006 1 598 99 87 THR HA H 5.242 0.002 1 599 99 87 THR HB H 3.875 0.000 1 600 99 87 THR C C 173.320 0.000 1 601 99 87 THR CA C 61.715 0.053 1 602 99 87 THR CB C 70.833 0.038 1 603 99 87 THR N N 119.329 0.043 1 604 100 88 LEU H H 9.350 0.006 1 605 100 88 LEU HA H 4.686 0.000 1 606 100 88 LEU HB2 H 1.544 0.000 2 607 100 88 LEU HB3 H 1.546 0.000 2 608 100 88 LEU C C 175.025 0.000 1 609 100 88 LEU CA C 53.049 0.000 1 610 100 88 LEU CB C 46.136 0.000 1 611 100 88 LEU N N 126.122 0.039 1 612 101 89 ARG H H 9.216 0.006 1 613 101 89 ARG HA H 5.242 0.000 1 614 101 89 ARG HB2 H 2.261 0.000 2 615 101 89 ARG HB3 H 2.245 0.000 2 616 101 89 ARG C C 174.425 0.000 1 617 101 89 ARG CA C 54.418 0.000 1 618 101 89 ARG CB C 31.523 0.000 1 619 101 89 ARG N N 121.145 0.033 1 620 102 90 LEU H H 9.050 0.003 1 621 102 90 LEU HA H 5.092 0.000 1 622 102 90 LEU HB2 H 1.628 0.000 1 623 102 90 LEU HB3 H 1.628 0.000 1 624 102 90 LEU C C 176.266 0.000 1 625 102 90 LEU CA C 54.243 0.000 1 626 102 90 LEU CB C 45.220 0.000 1 627 102 90 LEU N N 125.506 0.078 1 628 103 91 VAL H H 8.629 0.005 1 629 103 91 VAL HA H 4.518 0.019 1 630 103 91 VAL HB H 1.730 0.000 1 631 103 91 VAL C C 176.081 0.000 1 632 103 91 VAL CA C 62.220 0.031 1 633 103 91 VAL CB C 32.505 0.000 1 634 103 91 VAL N N 123.617 0.057 1 635 104 92 VAL H H 9.029 0.008 1 636 104 92 VAL N N 123.258 0.058 1 637 105 93 PRO C C 177.994 0.000 1 638 106 94 ALA H H 9.088 0.005 1 639 106 94 ALA HA H 3.918 0.007 1 640 106 94 ALA HB H 1.463 0.000 1 641 106 94 ALA C C 180.483 0.000 1 642 106 94 ALA CA C 56.278 0.000 1 643 106 94 ALA CB C 18.190 0.000 1 644 106 94 ALA N N 126.898 0.033 1 645 107 95 THR H H 8.350 0.003 1 646 107 95 THR HA H 4.081 0.000 1 647 107 95 THR HB H 4.235 0.000 1 648 107 95 THR C C 176.867 0.000 1 649 107 95 THR CA C 64.631 0.000 1 650 107 95 THR CB C 68.279 0.048 1 651 107 95 THR N N 108.833 0.046 1 652 108 96 GLN H H 7.331 0.005 1 653 108 96 GLN HA H 4.385 0.000 1 654 108 96 GLN HB2 H 2.351 0.000 1 655 108 96 GLN HB3 H 2.351 0.000 1 656 108 96 GLN C C 177.470 0.000 1 657 108 96 GLN CA C 57.580 0.000 1 658 108 96 GLN CB C 29.381 0.000 1 659 108 96 GLN N N 120.415 0.045 1 660 109 97 ALA H H 7.888 0.005 1 661 109 97 ALA HA H 3.908 0.000 1 662 109 97 ALA HB H 1.330 0.014 1 663 109 97 ALA C C 178.843 0.000 1 664 109 97 ALA CA C 55.035 0.000 1 665 109 97 ALA CB C 18.041 0.005 1 666 109 97 ALA N N 121.149 0.040 1 667 110 98 GLY H H 8.290 0.004 1 668 110 98 GLY HA2 H 3.976 0.000 1 669 110 98 GLY HA3 H 3.976 0.000 1 670 110 98 GLY C C 176.500 0.000 1 671 110 98 GLY CA C 47.237 0.000 1 672 110 98 GLY N N 104.214 0.000 1 673 111 99 SER H H 7.776 0.005 1 674 111 99 SER HA H 4.323 0.000 1 675 111 99 SER HB2 H 3.902 0.000 1 676 111 99 SER HB3 H 3.902 0.000 1 677 111 99 SER C C 175.629 0.000 1 678 111 99 SER CA C 60.744 0.000 1 679 111 99 SER CB C 63.165 0.000 1 680 111 99 SER N N 116.509 0.030 1 681 112 100 LEU H H 7.624 0.010 1 682 112 100 LEU HA H 4.143 0.000 1 683 112 100 LEU HB2 H 1.469 0.000 1 684 112 100 LEU HB3 H 1.469 0.000 1 685 112 100 LEU C C 176.432 0.000 1 686 112 100 LEU CA C 57.081 0.000 1 687 112 100 LEU CB C 42.617 0.000 1 688 112 100 LEU N N 120.228 0.046 1 689 113 101 ILE H H 7.447 0.007 1 690 113 101 ILE HA H 4.197 0.000 1 691 113 101 ILE HB H 2.021 0.000 1 692 113 101 ILE C C 177.496 0.000 1 693 113 101 ILE CA C 62.049 0.000 1 694 113 101 ILE CB C 39.023 0.000 1 695 113 101 ILE N N 110.529 0.062 1 696 114 102 GLY H H 7.760 0.006 1 697 114 102 GLY HA2 H 4.084 0.000 1 698 114 102 GLY HA3 H 4.084 0.000 1 699 114 102 GLY C C 174.476 0.000 1 700 114 102 GLY CA C 45.059 0.000 1 701 114 102 GLY N N 108.474 0.048 1 702 115 103 LYS H H 9.141 0.010 1 703 115 103 LYS HA H 4.098 0.013 1 704 115 103 LYS HB2 H 1.919 0.000 1 705 115 103 LYS HB3 H 1.919 0.000 1 706 115 103 LYS C C 178.612 0.000 1 707 115 103 LYS CA C 57.366 0.000 1 708 115 103 LYS CB C 30.679 0.000 1 709 115 103 LYS N N 122.025 0.045 1 710 116 104 GLY H H 8.909 0.003 1 711 116 104 GLY HA2 H 3.934 0.000 1 712 116 104 GLY HA3 H 3.934 0.000 1 713 116 104 GLY C C 175.586 0.000 1 714 116 104 GLY CA C 46.337 0.001 1 715 116 104 GLY N N 109.850 0.101 1 716 117 105 GLY H H 7.861 0.008 1 717 117 105 GLY HA2 H 4.081 0.000 1 718 117 105 GLY HA3 H 4.081 0.000 1 719 117 105 GLY C C 175.934 0.000 1 720 117 105 GLY CA C 46.244 0.000 1 721 117 105 GLY N N 107.987 0.042 1 722 118 106 ALA H H 7.598 0.006 1 723 118 106 ALA HA H 4.051 0.000 1 724 118 106 ALA HB H 1.542 0.000 1 725 118 106 ALA C C 180.202 0.000 1 726 118 106 ALA CA C 55.913 0.000 1 727 118 106 ALA CB C 18.848 0.000 1 728 118 106 ALA N N 122.455 0.030 1 729 119 107 LYS H H 8.820 0.004 1 730 119 107 LYS HA H 4.258 0.000 1 731 119 107 LYS HB2 H 1.928 0.000 1 732 119 107 LYS HB3 H 1.928 0.000 1 733 119 107 LYS C C 178.796 0.000 1 734 119 107 LYS CA C 58.129 0.000 1 735 119 107 LYS CB C 31.254 0.000 1 736 119 107 LYS N N 117.388 0.035 1 737 120 108 ILE H H 7.438 0.000 1 738 120 108 ILE HA H 3.761 0.006 1 739 120 108 ILE HB H 1.969 0.000 1 740 120 108 ILE C C 177.426 0.000 1 741 120 108 ILE CA C 64.249 0.050 1 742 120 108 ILE CB C 36.962 0.004 1 743 120 108 ILE N N 118.212 0.037 1 744 121 109 LYS H H 7.917 0.007 1 745 121 109 LYS HA H 3.977 0.000 1 746 121 109 LYS HB2 H 1.963 0.000 1 747 121 109 LYS HB3 H 1.963 0.000 1 748 121 109 LYS C C 178.366 0.000 1 749 121 109 LYS CA C 60.527 0.000 1 750 121 109 LYS CB C 32.605 0.000 1 751 121 109 LYS N N 121.532 0.024 1 752 122 110 GLU H H 7.799 0.004 1 753 122 110 GLU HA H 4.110 0.000 1 754 122 110 GLU HB2 H 2.262 0.000 2 755 122 110 GLU HB3 H 2.251 0.000 2 756 122 110 GLU C C 179.682 0.000 1 757 122 110 GLU CA C 59.416 0.000 1 758 122 110 GLU CB C 29.464 0.000 1 759 122 110 GLU N N 119.053 0.031 1 760 123 111 ILE H H 8.143 0.012 1 761 123 111 ILE HA H 3.878 0.000 1 762 123 111 ILE HB H 1.943 0.000 1 763 123 111 ILE C C 179.872 0.000 1 764 123 111 ILE CA C 65.633 0.000 1 765 123 111 ILE CB C 38.732 0.085 1 766 123 111 ILE N N 121.229 0.037 1 767 124 112 ARG H H 8.693 0.004 1 768 124 112 ARG HA H 4.184 0.000 1 769 124 112 ARG HB2 H 2.068 0.000 1 770 124 112 ARG HB3 H 2.068 0.000 1 771 124 112 ARG C C 179.402 0.000 1 772 124 112 ARG CA C 60.469 0.000 1 773 124 112 ARG CB C 30.884 0.000 1 774 124 112 ARG N N 123.865 0.032 1 775 125 113 GLU H H 8.332 0.005 1 776 125 113 GLU HA H 4.090 0.000 1 777 125 113 GLU HB2 H 2.084 0.000 1 778 125 113 GLU HB3 H 2.084 0.000 1 779 125 113 GLU C C 178.837 0.000 1 780 125 113 GLU CA C 59.195 0.000 1 781 125 113 GLU CB C 29.364 0.000 1 782 125 113 GLU N N 118.308 0.039 1 783 126 114 SER H H 8.383 0.007 1 784 126 114 SER HA H 4.345 0.000 1 785 126 114 SER HB2 H 4.043 0.000 1 786 126 114 SER HB3 H 4.043 0.000 1 787 126 114 SER C C 176.824 0.000 1 788 126 114 SER CA C 60.756 0.000 1 789 126 114 SER CB C 63.714 0.000 1 790 126 114 SER N N 112.348 0.042 1 791 127 115 THR H H 7.857 0.007 1 792 127 115 THR HA H 4.513 0.004 1 793 127 115 THR HB H 4.383 0.000 1 794 127 115 THR C C 176.730 0.000 1 795 127 115 THR CA C 63.106 0.039 1 796 127 115 THR CB C 71.882 0.000 1 797 127 115 THR N N 107.645 0.038 1 798 128 116 GLY H H 8.162 0.009 1 799 128 116 GLY HA2 H 4.299 0.000 1 800 128 116 GLY HA3 H 4.299 0.000 1 801 128 116 GLY C C 174.018 0.000 1 802 128 116 GLY CA C 45.769 0.000 1 803 128 116 GLY N N 111.484 0.064 1 804 129 117 ALA H H 8.032 0.006 1 805 129 117 ALA HA H 4.446 0.000 1 806 129 117 ALA HB H 0.953 0.000 1 807 129 117 ALA C C 177.077 0.000 1 808 129 117 ALA CA C 51.371 0.000 1 809 129 117 ALA CB C 19.075 0.000 1 810 129 117 ALA N N 122.742 0.042 1 811 130 118 GLN H H 8.956 0.009 1 812 130 118 GLN HA H 4.457 0.000 1 813 130 118 GLN HB2 H 2.352 0.000 2 814 130 118 GLN HB3 H 2.343 0.000 2 815 130 118 GLN C C 176.044 0.000 1 816 130 118 GLN CA C 55.797 0.000 1 817 130 118 GLN CB C 29.135 0.000 1 818 130 118 GLN N N 120.003 0.044 1 819 131 119 VAL H H 7.797 0.008 1 820 131 119 VAL HA H 5.090 0.000 1 821 131 119 VAL HB H 1.764 0.000 1 822 131 119 VAL C C 174.665 0.000 1 823 131 119 VAL CA C 61.131 0.000 1 824 131 119 VAL CB C 34.807 0.000 1 825 131 119 VAL N N 124.323 0.045 1 826 132 120 GLN H H 8.933 0.006 1 827 132 120 GLN HA H 4.746 0.000 1 828 132 120 GLN HB2 H 2.018 0.000 2 829 132 120 GLN HB3 H 1.872 0.000 2 830 132 120 GLN HG2 H 2.216 0.000 1 831 132 120 GLN HG3 H 2.216 0.000 1 832 132 120 GLN C C 174.099 0.000 1 833 132 120 GLN CA C 54.340 0.000 1 834 132 120 GLN CB C 32.425 0.000 1 835 132 120 GLN N N 125.240 0.046 1 836 133 121 VAL H H 9.056 0.005 1 837 133 121 VAL HA H 4.272 0.000 1 838 133 121 VAL HB H 2.000 0.000 1 839 133 121 VAL C C 175.437 0.000 1 840 133 121 VAL CA C 62.393 0.000 1 841 133 121 VAL CB C 32.209 0.000 1 842 133 121 VAL N N 125.287 0.068 1 843 134 122 ALA H H 8.658 0.007 1 844 134 122 ALA HA H 4.431 0.018 1 845 134 122 ALA HB H 1.577 0.000 1 846 134 122 ALA C C 178.348 0.000 1 847 134 122 ALA CA C 52.669 0.000 1 848 134 122 ALA CB C 20.540 0.000 1 849 134 122 ALA N N 131.414 0.000 1 850 135 123 GLY H H 8.747 0.006 1 851 135 123 GLY HA2 H 4.014 0.000 1 852 135 123 GLY HA3 H 4.014 0.000 1 853 135 123 GLY C C 173.636 0.000 1 854 135 123 GLY CA C 45.715 0.000 1 855 135 123 GLY N N 109.267 0.057 1 856 136 124 ASP H H 8.015 0.004 1 857 136 124 ASP HA H 4.690 0.009 1 858 136 124 ASP HB2 H 2.654 0.000 2 859 136 124 ASP HB3 H 2.538 0.000 2 860 136 124 ASP C C 175.562 0.000 1 861 136 124 ASP CA C 53.386 0.000 1 862 136 124 ASP CB C 41.821 0.000 1 863 136 124 ASP N N 118.482 0.051 1 864 137 125 MET H H 8.384 0.004 1 865 137 125 MET HA H 4.466 0.017 1 866 137 125 MET HB2 H 2.394 0.000 1 867 137 125 MET HB3 H 2.394 0.000 1 868 137 125 MET C C 176.410 0.000 1 869 137 125 MET CA C 55.612 0.000 1 870 137 125 MET CB C 33.562 0.000 1 871 137 125 MET N N 119.334 0.041 1 872 138 126 LEU H H 8.289 0.006 1 873 138 126 LEU HA H 4.474 0.000 1 874 138 126 LEU HB2 H 1.598 0.000 1 875 138 126 LEU HB3 H 1.598 0.000 1 876 138 126 LEU CA C 53.830 0.000 1 877 138 126 LEU CB C 40.394 0.000 1 878 138 126 LEU N N 123.882 0.047 1 879 139 127 PRO C C 176.937 0.000 1 880 140 128 ASN H H 8.587 0.005 1 881 140 128 ASN HA H 4.505 0.000 1 882 140 128 ASN HB2 H 2.952 0.000 2 883 140 128 ASN HB3 H 2.817 0.000 2 884 140 128 ASN C C 174.520 0.000 1 885 140 128 ASN CA C 53.592 0.000 1 886 140 128 ASN CB C 37.949 0.000 1 887 140 128 ASN N N 115.935 0.039 1 888 141 129 SER H H 7.958 0.007 1 889 141 129 SER HA H 4.736 0.000 1 890 141 129 SER HB2 H 3.925 0.000 2 891 141 129 SER HB3 H 3.706 0.000 2 892 141 129 SER C C 174.300 0.000 1 893 141 129 SER CA C 58.154 0.000 1 894 141 129 SER CB C 65.221 0.000 1 895 141 129 SER N N 113.758 0.041 1 896 142 130 THR H H 8.361 0.004 1 897 142 130 THR HA H 4.741 0.000 1 898 142 130 THR HB H 4.577 0.012 1 899 142 130 THR C C 174.758 0.000 1 900 142 130 THR CA C 61.522 0.000 1 901 142 130 THR CB C 68.689 0.047 1 902 142 130 THR N N 111.559 0.048 1 903 143 131 GLU H H 8.216 0.004 1 904 143 131 GLU HA H 4.693 0.000 1 905 143 131 GLU HB2 H 1.828 0.000 2 906 143 131 GLU HB3 H 1.822 0.000 2 907 143 131 GLU C C 174.941 0.000 1 908 143 131 GLU CA C 55.795 0.000 1 909 143 131 GLU CB C 32.392 0.000 1 910 143 131 GLU N N 121.444 0.043 1 911 144 132 ARG H H 8.852 0.007 1 912 144 132 ARG HA H 4.756 0.000 1 913 144 132 ARG HB2 H 1.825 0.000 1 914 144 132 ARG HB3 H 1.825 0.000 1 915 144 132 ARG C C 173.816 0.000 1 916 144 132 ARG CA C 53.718 0.000 1 917 144 132 ARG CB C 34.304 0.000 1 918 144 132 ARG N N 118.299 0.049 1 919 145 133 ALA H H 8.817 0.007 1 920 145 133 ALA HA H 5.351 0.010 1 921 145 133 ALA HB H 1.161 0.000 1 922 145 133 ALA C C 176.744 0.000 1 923 145 133 ALA CA C 50.363 0.058 1 924 145 133 ALA CB C 20.153 0.000 1 925 145 133 ALA N N 123.383 0.048 1 926 146 134 ILE H H 9.403 0.006 1 927 146 134 ILE HA H 4.735 0.000 1 928 146 134 ILE HB H 1.772 0.000 1 929 146 134 ILE C C 175.669 0.000 1 930 146 134 ILE CA C 59.951 0.000 1 931 146 134 ILE CB C 40.372 0.000 1 932 146 134 ILE N N 123.306 0.040 1 933 147 135 THR H H 9.197 0.004 1 934 147 135 THR HA H 4.941 0.000 1 935 147 135 THR HB H 4.010 0.010 1 936 147 135 THR C C 173.741 0.000 1 937 147 135 THR CA C 62.614 0.089 1 938 147 135 THR CB C 69.523 0.053 1 939 147 135 THR N N 123.607 0.044 1 940 148 136 ILE H H 9.242 0.005 1 941 148 136 ILE HA H 4.922 0.000 1 942 148 136 ILE HB H 1.585 0.000 1 943 148 136 ILE HG12 H 0.850 0.000 1 944 148 136 ILE HG13 H 0.850 0.000 1 945 148 136 ILE C C 173.695 0.000 1 946 148 136 ILE CA C 60.255 0.000 1 947 148 136 ILE CB C 40.871 0.000 1 948 148 136 ILE N N 127.531 0.027 1 949 149 137 ALA H H 8.920 0.004 1 950 149 137 ALA HA H 5.915 0.000 1 951 149 137 ALA HB H 1.272 0.000 1 952 149 137 ALA C C 176.650 0.000 1 953 149 137 ALA CA C 50.113 0.000 1 954 149 137 ALA CB C 23.934 0.000 1 955 149 137 ALA N N 127.822 0.060 1 956 150 138 GLY H H 8.402 0.007 1 957 150 138 GLY HA2 H 4.027 0.000 1 958 150 138 GLY HA3 H 4.027 0.000 1 959 150 138 GLY C C 172.336 0.000 1 960 150 138 GLY CA C 45.011 0.000 1 961 150 138 GLY N N 107.917 0.042 1 962 151 139 VAL H H 8.300 0.005 1 963 151 139 VAL HA H 4.023 0.000 1 964 151 139 VAL HB H 2.031 0.000 1 965 151 139 VAL CA C 60.865 0.000 1 966 151 139 VAL CB C 29.657 0.000 1 967 151 139 VAL N N 115.001 0.046 1 968 152 140 PRO C C 178.516 0.000 1 969 153 141 GLN H H 9.415 0.003 1 970 153 141 GLN HA H 4.079 0.000 1 971 153 141 GLN HB2 H 2.161 0.000 1 972 153 141 GLN HB3 H 2.161 0.000 1 973 153 141 GLN C C 178.306 0.000 1 974 153 141 GLN CA C 59.987 0.000 1 975 153 141 GLN CB C 28.009 0.000 1 976 153 141 GLN N N 118.038 0.047 1 977 154 142 SER H H 7.165 0.007 1 978 154 142 SER HA H 4.339 0.000 1 979 154 142 SER HB2 H 4.087 0.000 2 980 154 142 SER HB3 H 4.070 0.000 2 981 154 142 SER C C 175.697 0.000 1 982 154 142 SER CA C 62.112 0.000 1 983 154 142 SER CB C 63.210 0.000 1 984 154 142 SER N N 115.631 0.037 1 985 155 143 VAL H H 7.934 0.008 1 986 155 143 VAL HA H 3.311 0.000 1 987 155 143 VAL HB H 1.879 0.000 1 988 155 143 VAL C C 177.284 0.000 1 989 155 143 VAL CA C 66.375 0.072 1 990 155 143 VAL CB C 31.545 0.000 1 991 155 143 VAL N N 121.220 0.075 1 992 156 144 THR H H 8.290 0.006 1 993 156 144 THR HA H 4.421 0.000 1 994 156 144 THR HB H 4.237 0.000 1 995 156 144 THR C C 175.762 0.000 1 996 156 144 THR CA C 67.443 0.000 1 997 156 144 THR CB C 68.326 0.000 1 998 156 144 THR N N 115.575 0.044 1 999 157 145 GLU H H 7.557 0.005 1 1000 157 145 GLU HA H 4.251 0.000 1 1001 157 145 GLU HB2 H 2.027 0.000 1 1002 157 145 GLU HB3 H 2.027 0.000 1 1003 157 145 GLU C C 178.752 0.000 1 1004 157 145 GLU CA C 58.957 0.000 1 1005 157 145 GLU CB C 28.915 0.000 1 1006 157 145 GLU N N 119.192 0.039 1 1007 158 146 ALA H H 8.363 0.004 1 1008 158 146 ALA HA H 4.311 0.000 1 1009 158 146 ALA HB H 1.695 0.000 1 1010 158 146 ALA C C 179.197 0.000 1 1011 158 146 ALA CA C 56.162 0.000 1 1012 158 146 ALA CB C 18.000 0.000 1 1013 158 146 ALA N N 121.225 0.027 1 1014 159 147 VAL H H 8.447 0.005 1 1015 159 147 VAL HA H 3.470 0.000 1 1016 159 147 VAL HB H 1.689 0.000 1 1017 159 147 VAL C C 178.722 0.000 1 1018 159 147 VAL CA C 66.832 0.086 1 1019 159 147 VAL CB C 30.711 0.000 1 1020 159 147 VAL N N 117.120 0.042 1 1021 160 148 LYS H H 7.794 0.008 1 1022 160 148 LYS HA H 3.609 0.000 1 1023 160 148 LYS HB2 H 1.483 0.000 1 1024 160 148 LYS HB3 H 1.483 0.000 1 1025 160 148 LYS C C 178.266 0.000 1 1026 160 148 LYS CA C 60.553 0.000 1 1027 160 148 LYS CB C 31.982 0.000 1 1028 160 148 LYS N N 123.458 0.039 1 1029 161 149 GLN H H 8.090 0.006 1 1030 161 149 GLN HA H 3.905 0.000 1 1031 161 149 GLN HB2 H 2.056 0.000 2 1032 161 149 GLN HB3 H 1.933 0.000 2 1033 161 149 GLN C C 179.927 0.000 1 1034 161 149 GLN CA C 60.264 0.000 1 1035 161 149 GLN CB C 28.538 0.000 1 1036 161 149 GLN N N 117.111 0.038 1 1037 162 150 ILE H H 8.691 0.006 1 1038 162 150 ILE HA H 3.497 0.000 1 1039 162 150 ILE HB H 1.889 0.000 1 1040 162 150 ILE C C 177.532 0.000 1 1041 162 150 ILE CA C 65.699 0.000 1 1042 162 150 ILE CB C 38.137 0.000 1 1043 162 150 ILE N N 119.714 0.037 1 1044 163 151 SER H H 8.287 0.005 1 1045 163 151 SER HA H 4.267 0.000 1 1046 163 151 SER HB2 H 3.872 0.000 1 1047 163 151 SER HB3 H 3.872 0.000 1 1048 163 151 SER C C 175.669 0.000 1 1049 163 151 SER CA C 63.328 0.000 1 1050 163 151 SER CB C 68.439 0.000 1 1051 163 151 SER N N 116.688 0.048 1 1052 164 152 LEU H H 7.901 0.003 1 1053 164 152 LEU HA H 4.230 0.000 1 1054 164 152 LEU HB2 H 1.963 0.000 1 1055 164 152 LEU HB3 H 1.963 0.000 1 1056 164 152 LEU C C 179.917 0.000 1 1057 164 152 LEU CA C 57.927 0.000 1 1058 164 152 LEU CB C 41.345 0.000 1 1059 164 152 LEU N N 120.808 0.038 1 1060 165 153 VAL H H 7.701 0.004 1 1061 165 153 VAL HA H 3.482 0.000 1 1062 165 153 VAL HB H 1.954 0.000 1 1063 165 153 VAL C C 179.158 0.000 1 1064 165 153 VAL CA C 66.069 0.083 1 1065 165 153 VAL CB C 31.540 0.000 1 1066 165 153 VAL N N 120.456 0.029 1 1067 166 154 MET H H 8.191 0.005 1 1068 166 154 MET HA H 4.150 0.000 1 1069 166 154 MET HB2 H 2.320 0.000 1 1070 166 154 MET HB3 H 2.320 0.000 1 1071 166 154 MET C C 178.252 0.000 1 1072 166 154 MET CA C 59.213 0.000 1 1073 166 154 MET N N 120.085 0.051 1 1074 167 155 LEU H H 8.125 0.005 1 1075 167 155 LEU HA H 4.126 0.000 1 1076 167 155 LEU HB2 H 1.723 0.000 2 1077 167 155 LEU HB3 H 1.685 0.000 2 1078 167 155 LEU C C 178.636 0.000 1 1079 167 155 LEU CA C 57.679 0.000 1 1080 167 155 LEU CB C 42.285 0.000 1 1081 167 155 LEU N N 119.777 0.058 1 1082 168 156 GLU H H 8.002 0.006 1 1083 168 156 GLU HA H 4.162 0.000 1 1084 168 156 GLU HB2 H 2.177 0.000 1 1085 168 156 GLU HB3 H 2.177 0.000 1 1086 168 156 GLU C C 178.294 0.000 1 1087 168 156 GLU CA C 58.765 0.000 1 1088 168 156 GLU CB C 29.368 0.000 1 1089 168 156 GLU N N 119.316 0.059 1 1090 169 157 THR H H 8.026 0.005 1 1091 169 157 THR HA H 4.121 0.006 1 1092 169 157 THR HB H 4.330 0.010 1 1093 169 157 THR C C 175.890 0.000 1 1094 169 157 THR CA C 65.096 0.085 1 1095 169 157 THR CB C 69.222 0.092 1 1096 169 157 THR N N 113.795 0.044 1 stop_ save_