data_27683 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Euprosthenops australis major ampullate spidroin 1 N-terminal domain (NTD) mutant at pH7 ; _BMRB_accession_number 27683 _BMRB_flat_file_name bmr27683.str _Entry_type original _Submission_date 2018-11-06 _Accession_date 2018-11-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Euprosthenops australis major ampullate spidroin 1 N-terminal domain (NTD) at pH7 with mutations M20L, M24L, M41L, M48L, M77L, M101L. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goretzki Benedikt BG . 2 Heiby Julia JH . 3 Hellmich 'Ute A.' UAH . 4 Neuweiler Hannes HN . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 659 "13C chemical shifts" 513 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-11 update BMRB 'update entry citation' 2019-09-04 original author 'original release' stop_ _Original_release_date 2018-11-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Methionine in a protein hydrophobic core drives tight interactions required for assembly of spider silk ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31558722 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Heiby Julia C. . 2 Goretzki Benedikt . . 3 Johnson Christopher M. . 4 Hellmich Ute A. . 5 Neuweiler Hannes . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4378 _Page_last 4378 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MaSp1 L6-NTD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NTD $MaSp1_L6-NTD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'pH dependent silk formation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MaSp1_L6-NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MaSp1_L6-NTD _Molecular_mass 14071.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'pH dependent silk formation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; GSGNSHTTPWTNPGLAENFL NSFLQGLSSMPGFTASQLDD LSTIAQSLVQSIQSLAAQGR TSPNKLQALNMAFASSLAEI AASEEGGGSLSTKTSSIASA LSNAFLQTTGVVNQPFINEI TQLVSMFAQAGMNDVSA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLY 4 ASN 5 SER 6 HIS 7 THR 8 THR 9 PRO 10 TRP 11 THR 12 ASN 13 PRO 14 GLY 15 LEU 16 ALA 17 GLU 18 ASN 19 PHE 20 LEU 21 ASN 22 SER 23 PHE 24 LEU 25 GLN 26 GLY 27 LEU 28 SER 29 SER 30 MET 31 PRO 32 GLY 33 PHE 34 THR 35 ALA 36 SER 37 GLN 38 LEU 39 ASP 40 ASP 41 LEU 42 SER 43 THR 44 ILE 45 ALA 46 GLN 47 SER 48 LEU 49 VAL 50 GLN 51 SER 52 ILE 53 GLN 54 SER 55 LEU 56 ALA 57 ALA 58 GLN 59 GLY 60 ARG 61 THR 62 SER 63 PRO 64 ASN 65 LYS 66 LEU 67 GLN 68 ALA 69 LEU 70 ASN 71 MET 72 ALA 73 PHE 74 ALA 75 SER 76 SER 77 LEU 78 ALA 79 GLU 80 ILE 81 ALA 82 ALA 83 SER 84 GLU 85 GLU 86 GLY 87 GLY 88 GLY 89 SER 90 LEU 91 SER 92 THR 93 LYS 94 THR 95 SER 96 SER 97 ILE 98 ALA 99 SER 100 ALA 101 LEU 102 SER 103 ASN 104 ALA 105 PHE 106 LEU 107 GLN 108 THR 109 THR 110 GLY 111 VAL 112 VAL 113 ASN 114 GLN 115 PRO 116 PHE 117 ILE 118 ASN 119 GLU 120 ILE 121 THR 122 GLN 123 LEU 124 VAL 125 SER 126 MET 127 PHE 128 ALA 129 GLN 130 ALA 131 GLY 132 MET 133 ASN 134 ASP 135 VAL 136 SER 137 ALA 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 $MaSp1_L6-NTD 'Euprosthenops australis' 332052 Eukaryota Metazoa Euprosthenops australis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $MaSp1_L6-NTD 'recombinant technology' . Escherichia coli C41 DE3 'pRSET A' 'plasmid encodes for a His-tag with thrombin cleavage site' 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 $MaSp1_L6-NTD 300 uM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA_NMR _Saveframe_category software _Name CARA_NMR _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_av800 _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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 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' 0.2 . M pH 7.0 . pH pressure 1.0 . 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_ _Software_label $CCPNMR $TOPSPIN $CARA_NMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY aliphatic' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NTD _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 3 3 GLY HA2 H 4.039 0.000 2 2 3 3 GLY HA3 H 3.884 0.000 2 3 3 3 GLY CA C 45.223 0.000 1 4 4 4 ASN H H 7.985 0.000 1 5 4 4 ASN HA H 4.527 0.000 1 6 4 4 ASN CA C 54.719 0.000 1 7 4 4 ASN N N 124.199 0.000 1 8 6 6 HIS HA H 4.701 0.000 1 9 6 6 HIS HB2 H 3.101 0.000 2 10 6 6 HIS HB3 H 2.980 0.000 2 11 6 6 HIS HD2 H 6.954 0.000 1 12 6 6 HIS C C 175.579 0.000 1 13 6 6 HIS CA C 55.846 0.000 1 14 6 6 HIS CB C 30.832 0.000 1 15 6 6 HIS CD2 C 117.010 0.000 1 16 7 7 THR H H 8.157 0.000 1 17 7 7 THR HA H 4.302 0.000 1 18 7 7 THR HB H 4.144 0.000 1 19 7 7 THR HG2 H 1.110 0.000 1 20 7 7 THR C C 174.078 0.000 1 21 7 7 THR CA C 62.219 0.000 1 22 7 7 THR CB C 69.816 0.000 1 23 7 7 THR CG2 C 21.673 0.000 1 24 7 7 THR N N 115.501 0.000 1 25 8 8 THR H H 7.996 0.000 1 26 8 8 THR HA H 4.201 0.000 1 27 8 8 THR HB H 3.835 0.000 1 28 8 8 THR HG2 H 1.216 0.000 1 29 8 8 THR C C 172.560 0.000 1 30 8 8 THR CA C 58.024 0.000 1 31 8 8 THR CB C 69.250 0.000 1 32 8 8 THR CG2 C 21.888 0.000 1 33 8 8 THR N N 116.994 0.000 1 34 9 9 PRO HA H 3.920 0.000 1 35 9 9 PRO HB2 H 0.615 0.000 2 36 9 9 PRO HB3 H 0.594 0.000 2 37 9 9 PRO HG2 H -0.580 0.000 2 38 9 9 PRO HG3 H -0.880 0.000 2 39 9 9 PRO HD2 H 2.030 0.000 2 40 9 9 PRO HD3 H 1.942 0.000 2 41 9 9 PRO C C 174.091 0.000 1 42 9 9 PRO CA C 62.781 0.000 1 43 9 9 PRO CB C 30.579 0.000 1 44 9 9 PRO CG C 25.156 0.000 1 45 9 9 PRO CD C 49.327 0.000 1 46 10 10 TRP H H 6.763 0.000 1 47 10 10 TRP HA H 4.937 0.000 1 48 10 10 TRP HB2 H 3.416 0.000 2 49 10 10 TRP HB3 H 2.908 0.000 2 50 10 10 TRP HD1 H 7.133 0.000 1 51 10 10 TRP HE1 H 10.830 0.000 1 52 10 10 TRP C C 175.797 0.000 1 53 10 10 TRP CA C 54.003 0.000 1 54 10 10 TRP CB C 31.209 0.000 1 55 10 10 TRP CD1 C 129.760 0.000 1 56 10 10 TRP N N 111.495 0.000 1 57 10 10 TRP NE1 N 129.714 0.000 1 58 11 11 THR H H 7.152 0.000 1 59 11 11 THR HA H 3.888 0.000 1 60 11 11 THR HB H 4.255 0.000 1 61 11 11 THR HG2 H 1.273 0.000 1 62 11 11 THR C C 173.972 0.000 1 63 11 11 THR CA C 64.239 0.000 1 64 11 11 THR CB C 69.326 0.000 1 65 11 11 THR CG2 C 22.064 0.000 1 66 11 11 THR N N 106.341 0.000 1 67 12 12 ASN H H 7.290 0.000 1 68 12 12 ASN HA H 5.004 0.000 1 69 12 12 ASN HB2 H 2.883 0.000 2 70 12 12 ASN HB3 H 2.888 0.000 2 71 12 12 ASN C C 172.717 0.000 1 72 12 12 ASN CA C 51.482 0.000 1 73 12 12 ASN CB C 40.371 0.000 1 74 12 12 ASN N N 115.009 0.000 1 75 13 13 PRO HA H 4.211 0.000 1 76 13 13 PRO HB2 H 2.143 0.000 2 77 13 13 PRO HB3 H 2.166 0.000 2 78 13 13 PRO HG2 H 2.305 0.000 2 79 13 13 PRO HG3 H 1.893 0.000 2 80 13 13 PRO HD2 H 3.964 0.000 2 81 13 13 PRO HD3 H 3.972 0.000 2 82 13 13 PRO C C 177.790 0.000 1 83 13 13 PRO CA C 65.761 0.000 1 84 13 13 PRO CB C 32.145 0.000 1 85 13 13 PRO CG C 27.708 0.000 1 86 13 13 PRO CD C 50.728 0.000 1 87 14 14 GLY H H 8.380 0.000 1 88 14 14 GLY HA2 H 3.962 0.000 2 89 14 14 GLY HA3 H 3.889 0.000 2 90 14 14 GLY C C 175.978 0.000 1 91 14 14 GLY CA C 47.185 0.000 1 92 14 14 GLY N N 108.973 0.000 1 93 15 15 LEU H H 7.977 0.000 1 94 15 15 LEU HA H 4.296 0.000 1 95 15 15 LEU HB2 H 1.723 0.000 2 96 15 15 LEU HB3 H 1.578 0.000 2 97 15 15 LEU HD1 H 0.802 0.000 2 98 15 15 LEU HD2 H 0.942 0.000 2 99 15 15 LEU C C 178.622 0.000 1 100 15 15 LEU CA C 57.617 0.000 1 101 15 15 LEU CB C 41.668 0.000 1 102 15 15 LEU CD1 C 25.739 0.000 2 103 15 15 LEU CD2 C 23.241 0.000 2 104 15 15 LEU N N 124.723 0.000 1 105 16 16 ALA H H 8.374 0.000 1 106 16 16 ALA HA H 3.985 0.000 1 107 16 16 ALA HB H 1.710 0.000 1 108 16 16 ALA C C 179.167 0.000 1 109 16 16 ALA CA C 56.306 0.000 1 110 16 16 ALA CB C 19.809 0.000 1 111 16 16 ALA N N 121.118 0.000 1 112 17 17 GLU H H 8.197 0.000 1 113 17 17 GLU HA H 3.897 0.000 1 114 17 17 GLU HB2 H 2.168 0.000 2 115 17 17 GLU HB3 H 2.202 0.000 2 116 17 17 GLU HG2 H 2.274 0.000 2 117 17 17 GLU HG3 H 2.300 0.000 2 118 17 17 GLU C C 178.231 0.000 1 119 17 17 GLU CA C 59.807 0.000 1 120 17 17 GLU CB C 29.951 0.000 1 121 17 17 GLU CG C 36.124 0.000 1 122 17 17 GLU N N 117.004 0.000 1 123 18 18 ASN H H 8.047 0.000 1 124 18 18 ASN HA H 4.539 0.000 1 125 18 18 ASN HB2 H 2.870 0.000 2 126 18 18 ASN HB3 H 2.995 0.000 2 127 18 18 ASN C C 178.192 0.000 1 128 18 18 ASN CA C 56.255 0.000 1 129 18 18 ASN CB C 38.267 0.000 1 130 18 18 ASN N N 118.314 0.000 1 131 19 19 PHE H H 9.533 0.000 1 132 19 19 PHE HA H 3.897 0.000 1 133 19 19 PHE HB2 H 2.908 0.000 2 134 19 19 PHE HB3 H 3.121 0.000 2 135 19 19 PHE HD1 H 6.534 0.000 1 136 19 19 PHE HD2 H 6.534 0.000 1 137 19 19 PHE C C 176.859 0.000 1 138 19 19 PHE CA C 61.965 0.000 1 139 19 19 PHE CB C 39.521 0.000 1 140 19 19 PHE N N 122.603 0.000 1 141 20 20 LEU H H 9.000 0.000 1 142 20 20 LEU HA H 3.992 0.000 1 143 20 20 LEU HB2 H 1.425 0.000 2 144 20 20 LEU HB3 H 2.168 0.000 2 145 20 20 LEU HG H 2.070 0.000 1 146 20 20 LEU HD1 H 0.987 0.000 2 147 20 20 LEU HD2 H 0.858 0.000 2 148 20 20 LEU C C 178.821 0.000 1 149 20 20 LEU CA C 58.353 0.000 1 150 20 20 LEU CB C 41.575 0.000 1 151 20 20 LEU CG C 28.400 0.000 1 152 20 20 LEU CD1 C 26.217 0.000 2 153 20 20 LEU CD2 C 23.527 0.000 2 154 20 20 LEU N N 120.277 0.000 1 155 21 21 ASN H H 8.531 0.000 1 156 21 21 ASN HA H 4.548 0.000 1 157 21 21 ASN HB2 H 2.984 0.000 2 158 21 21 ASN HB3 H 2.799 0.000 2 159 21 21 ASN C C 178.359 0.000 1 160 21 21 ASN CA C 56.499 0.000 1 161 21 21 ASN CB C 37.826 0.000 1 162 21 21 ASN N N 118.093 0.000 1 163 22 22 SER H H 8.000 0.000 1 164 22 22 SER HA H 4.175 0.000 1 165 22 22 SER HB2 H 3.918 0.000 2 166 22 22 SER HB3 H 3.746 0.000 2 167 22 22 SER C C 178.298 0.000 1 168 22 22 SER CA C 62.069 0.000 1 169 22 22 SER CB C 62.894 0.000 1 170 22 22 SER N N 116.083 0.000 1 171 23 23 PHE H H 8.808 0.000 1 172 23 23 PHE HA H 4.029 0.000 1 173 23 23 PHE HB2 H 3.234 0.000 2 174 23 23 PHE HB3 H 2.541 0.000 2 175 23 23 PHE HD1 H 6.996 0.000 1 176 23 23 PHE HD2 H 6.996 0.000 1 177 23 23 PHE C C 175.304 0.000 1 178 23 23 PHE CA C 60.716 0.000 1 179 23 23 PHE CB C 38.756 0.000 1 180 23 23 PHE N N 124.415 0.000 1 181 24 24 LEU H H 8.507 0.000 1 182 24 24 LEU HA H 3.444 0.000 1 183 24 24 LEU HB2 H 1.917 0.000 2 184 24 24 LEU HB3 H 1.454 0.000 2 185 24 24 LEU HG H 1.966 0.000 1 186 24 24 LEU HD1 H 0.952 0.000 2 187 24 24 LEU HD2 H 0.782 0.000 2 188 24 24 LEU C C 179.819 0.000 1 189 24 24 LEU CA C 57.973 0.000 1 190 24 24 LEU CB C 41.107 0.000 1 191 24 24 LEU CG C 27.541 0.000 1 192 24 24 LEU CD1 C 25.450 0.000 2 193 24 24 LEU CD2 C 23.621 0.000 2 194 24 24 LEU N N 119.722 0.000 1 195 25 25 GLN H H 8.083 0.000 1 196 25 25 GLN HA H 3.935 0.000 1 197 25 25 GLN HB2 H 2.129 0.000 2 198 25 25 GLN HB3 H 2.115 0.000 2 199 25 25 GLN HG2 H 2.463 0.000 2 200 25 25 GLN HG3 H 2.347 0.000 2 201 25 25 GLN C C 180.103 0.000 1 202 25 25 GLN CA C 58.998 0.000 1 203 25 25 GLN CB C 28.141 0.000 1 204 25 25 GLN CG C 33.816 0.000 1 205 25 25 GLN N N 119.195 0.000 1 206 26 26 GLY H H 8.098 0.000 1 207 26 26 GLY HA2 H 4.060 0.000 2 208 26 26 GLY HA3 H 3.800 0.000 2 209 26 26 GLY C C 176.488 0.000 1 210 26 26 GLY CA C 46.878 0.000 1 211 26 26 GLY N N 108.634 0.000 1 212 27 27 LEU H H 8.148 0.000 1 213 27 27 LEU HA H 3.746 0.000 1 214 27 27 LEU HB2 H 0.934 0.000 2 215 27 27 LEU HB3 H 0.872 0.000 2 216 27 27 LEU HG H 0.813 0.000 1 217 27 27 LEU HD1 H 0.104 0.000 2 218 27 27 LEU HD2 H 0.009 0.000 2 219 27 27 LEU C C 178.602 0.000 1 220 27 27 LEU CA C 56.975 0.000 1 221 27 27 LEU CB C 42.070 0.000 1 222 27 27 LEU CG C 25.615 0.000 1 223 27 27 LEU CD1 C 24.781 0.000 2 224 27 27 LEU CD2 C 24.036 0.000 2 225 27 27 LEU N N 122.431 0.000 1 226 28 28 SER H H 7.577 0.000 1 227 28 28 SER HA H 4.083 0.000 1 228 28 28 SER HB2 H 3.976 0.000 2 229 28 28 SER HB3 H 3.941 0.000 2 230 28 28 SER C C 174.555 0.000 1 231 28 28 SER CA C 61.027 0.000 1 232 28 28 SER CB C 63.228 0.000 1 233 28 28 SER N N 110.291 0.000 1 234 29 29 SER H H 7.364 0.000 1 235 29 29 SER HA H 4.686 0.000 1 236 29 29 SER HB2 H 4.043 0.000 2 237 29 29 SER HB3 H 3.941 0.000 2 238 29 29 SER C C 174.043 0.000 1 239 29 29 SER CA C 58.042 0.000 1 240 29 29 SER CB C 64.400 0.000 1 241 29 29 SER N N 114.521 0.000 1 242 30 30 MET H H 7.714 0.000 1 243 30 30 MET HA H 4.911 0.000 1 244 30 30 MET HB2 H 2.251 0.000 2 245 30 30 MET HB3 H 2.212 0.000 2 246 30 30 MET HG2 H 2.803 0.000 2 247 30 30 MET HG3 H 2.714 0.000 2 248 30 30 MET HE H 2.076 0.000 1 249 30 30 MET C C 173.750 0.000 1 250 30 30 MET CA C 53.562 0.000 1 251 30 30 MET CB C 32.179 0.000 1 252 30 30 MET CG C 33.260 0.000 1 253 30 30 MET CE C 17.947 0.000 1 254 30 30 MET N N 122.864 0.000 1 255 31 31 PRO HA H 4.545 0.000 1 256 31 31 PRO HB2 H 2.313 0.000 2 257 31 31 PRO HB3 H 1.828 0.000 2 258 31 31 PRO HG2 H 2.029 0.000 2 259 31 31 PRO HG3 H 2.062 0.000 2 260 31 31 PRO HD2 H 3.908 0.000 2 261 31 31 PRO HD3 H 3.724 0.000 2 262 31 31 PRO C C 177.311 0.000 1 263 31 31 PRO CA C 63.104 0.000 1 264 31 31 PRO CB C 32.244 0.000 1 265 31 31 PRO CG C 27.444 0.000 1 266 31 31 PRO CD C 50.485 0.000 1 267 32 32 GLY H H 8.435 0.000 1 268 32 32 GLY HA2 H 3.899 0.000 2 269 32 32 GLY HA3 H 3.364 0.000 2 270 32 32 GLY C C 172.413 0.000 1 271 32 32 GLY CA C 45.328 0.000 1 272 32 32 GLY N N 107.509 0.000 1 273 33 33 PHE H H 7.411 0.000 1 274 33 33 PHE HA H 5.109 0.000 1 275 33 33 PHE HB2 H 2.898 0.000 2 276 33 33 PHE HB3 H 2.834 0.000 2 277 33 33 PHE HD1 H 7.082 0.000 1 278 33 33 PHE HD2 H 7.082 0.000 1 279 33 33 PHE C C 176.255 0.000 1 280 33 33 PHE CA C 56.744 0.000 1 281 33 33 PHE CB C 41.289 0.000 1 282 33 33 PHE N N 116.162 0.000 1 283 34 34 THR H H 8.682 0.000 1 284 34 34 THR HA H 4.594 0.000 1 285 34 34 THR HB H 4.689 0.000 1 286 34 34 THR HG2 H 1.165 0.000 1 287 34 34 THR C C 174.997 0.000 1 288 34 34 THR CA C 59.975 0.000 1 289 34 34 THR CB C 71.100 0.000 1 290 34 34 THR CG2 C 21.876 0.000 1 291 34 34 THR N N 113.878 0.000 1 292 35 35 ALA H H 8.836 0.000 1 293 35 35 ALA HA H 4.100 0.000 1 294 35 35 ALA HB H 1.507 0.000 1 295 35 35 ALA C C 180.595 0.000 1 296 35 35 ALA CA C 55.581 0.000 1 297 35 35 ALA CB C 17.909 0.000 1 298 35 35 ALA N N 122.992 0.000 1 299 36 36 SER H H 8.359 0.000 1 300 36 36 SER HA H 4.267 0.000 1 301 36 36 SER HB2 H 3.952 0.000 2 302 36 36 SER HB3 H 3.913 0.000 2 303 36 36 SER C C 176.948 0.000 1 304 36 36 SER CA C 61.370 0.000 1 305 36 36 SER CB C 62.407 0.000 1 306 36 36 SER N N 112.754 0.000 1 307 37 37 GLN H H 7.572 0.000 1 308 37 37 GLN HA H 4.222 0.000 1 309 37 37 GLN HB2 H 2.643 0.000 2 310 37 37 GLN HB3 H 2.639 0.000 2 311 37 37 GLN HG2 H 2.568 0.000 2 312 37 37 GLN HG3 H 2.534 0.000 2 313 37 37 GLN C C 178.809 0.000 1 314 37 37 GLN CA C 58.596 0.000 1 315 37 37 GLN CB C 28.379 0.000 1 316 37 37 GLN CG C 34.737 0.000 1 317 37 37 GLN N N 121.953 0.000 1 318 38 38 LEU H H 8.123 0.000 1 319 38 38 LEU HA H 3.976 0.000 1 320 38 38 LEU HB2 H 1.945 0.000 2 321 38 38 LEU HB3 H 1.517 0.000 2 322 38 38 LEU HG H 1.783 0.000 1 323 38 38 LEU HD1 H 0.813 0.000 2 324 38 38 LEU HD2 H 0.562 0.000 2 325 38 38 LEU C C 180.021 0.000 1 326 38 38 LEU CA C 57.340 0.000 1 327 38 38 LEU CB C 40.237 0.000 1 328 38 38 LEU CG C 27.344 0.000 1 329 38 38 LEU CD1 C 25.493 0.000 2 330 38 38 LEU CD2 C 22.502 0.000 2 331 38 38 LEU N N 119.468 0.000 1 332 39 39 ASP H H 8.206 0.000 1 333 39 39 ASP HA H 4.465 0.000 1 334 39 39 ASP HB2 H 2.868 0.000 2 335 39 39 ASP HB3 H 2.797 0.000 2 336 39 39 ASP C C 179.263 0.000 1 337 39 39 ASP CA C 57.732 0.000 1 338 39 39 ASP CB C 40.442 0.000 1 339 39 39 ASP N N 122.658 0.000 1 340 40 40 ASP H H 8.128 0.000 1 341 40 40 ASP HA H 4.477 0.000 1 342 40 40 ASP HB2 H 2.996 0.000 2 343 40 40 ASP HB3 H 2.667 0.000 2 344 40 40 ASP C C 179.839 0.000 1 345 40 40 ASP CA C 57.738 0.000 1 346 40 40 ASP CB C 39.866 0.000 1 347 40 40 ASP N N 122.203 0.000 1 348 41 41 LEU H H 8.471 0.000 1 349 41 41 LEU HA H 4.192 0.000 1 350 41 41 LEU HB2 H 1.896 0.000 2 351 41 41 LEU HB3 H 1.581 0.000 2 352 41 41 LEU HG H 1.832 0.000 1 353 41 41 LEU HD1 H 0.726 0.000 2 354 41 41 LEU HD2 H 0.804 0.000 2 355 41 41 LEU C C 178.565 0.000 1 356 41 41 LEU CA C 57.438 0.000 1 357 41 41 LEU CB C 42.035 0.000 1 358 41 41 LEU CG C 27.111 0.000 1 359 41 41 LEU CD1 C 24.802 0.000 2 360 41 41 LEU CD2 C 24.785 0.000 2 361 41 41 LEU N N 120.913 0.000 1 362 42 42 SER H H 8.386 0.000 1 363 42 42 SER HA H 4.248 0.000 1 364 42 42 SER HB2 H 3.904 0.000 1 365 42 42 SER HB3 H 3.904 0.000 1 366 42 42 SER C C 177.308 0.000 1 367 42 42 SER CA C 61.953 0.000 1 368 42 42 SER CB C 62.341 0.000 1 369 42 42 SER N N 116.653 0.000 1 370 43 43 THR H H 7.941 0.000 1 371 43 43 THR HA H 4.058 0.000 1 372 43 43 THR HB H 4.447 0.000 1 373 43 43 THR HG2 H 1.285 0.000 1 374 43 43 THR C C 177.253 0.000 1 375 43 43 THR CA C 66.664 0.000 1 376 43 43 THR CB C 68.525 0.000 1 377 43 43 THR CG2 C 22.201 0.000 1 378 43 43 THR N N 119.464 0.000 1 379 44 44 ILE H H 7.918 0.000 1 380 44 44 ILE HA H 3.968 0.000 1 381 44 44 ILE HB H 2.236 0.000 1 382 44 44 ILE HG12 H 1.711 0.000 2 383 44 44 ILE HG13 H 1.489 0.000 2 384 44 44 ILE HG2 H 1.088 0.000 1 385 44 44 ILE HD1 H 0.876 0.000 1 386 44 44 ILE C C 178.453 0.000 1 387 44 44 ILE CA C 63.452 0.000 1 388 44 44 ILE CB C 37.425 0.000 1 389 44 44 ILE CG1 C 28.685 0.000 1 390 44 44 ILE CG2 C 17.059 0.000 1 391 44 44 ILE CD1 C 12.495 0.000 1 392 44 44 ILE N N 123.431 0.000 1 393 45 45 ALA H H 8.905 0.000 1 394 45 45 ALA HA H 4.096 0.000 1 395 45 45 ALA HB H 1.707 0.000 1 396 45 45 ALA C C 178.809 0.000 1 397 45 45 ALA CA C 55.375 0.000 1 398 45 45 ALA CB C 18.898 0.000 1 399 45 45 ALA N N 123.895 0.000 1 400 46 46 GLN H H 7.982 0.000 1 401 46 46 GLN HA H 4.035 0.000 1 402 46 46 GLN HB2 H 2.260 0.000 2 403 46 46 GLN HB3 H 2.212 0.000 2 404 46 46 GLN HG2 H 2.592 0.000 2 405 46 46 GLN HG3 H 2.440 0.000 2 406 46 46 GLN C C 179.013 0.000 1 407 46 46 GLN CA C 59.121 0.000 1 408 46 46 GLN CB C 28.393 0.000 1 409 46 46 GLN CG C 34.179 0.000 1 410 46 46 GLN N N 116.340 0.000 1 411 47 47 SER H H 7.901 0.000 1 412 47 47 SER HA H 4.265 0.000 1 413 47 47 SER HB2 H 4.039 0.000 2 414 47 47 SER HB3 H 4.031 0.000 2 415 47 47 SER C C 177.207 0.000 1 416 47 47 SER CA C 61.590 0.000 1 417 47 47 SER CB C 62.772 0.000 1 418 47 47 SER N N 115.989 0.000 1 419 48 48 LEU H H 8.387 0.000 1 420 48 48 LEU HA H 3.920 0.000 1 421 48 48 LEU HB2 H 1.816 0.000 2 422 48 48 LEU HB3 H 1.121 0.000 2 423 48 48 LEU HG H 1.557 0.000 1 424 48 48 LEU HD1 H 0.570 0.000 2 425 48 48 LEU HD2 H 0.332 0.000 2 426 48 48 LEU C C 178.976 0.000 1 427 48 48 LEU CA C 58.274 0.000 1 428 48 48 LEU CB C 41.358 0.000 1 429 48 48 LEU CG C 26.897 0.000 1 430 48 48 LEU CD1 C 25.654 0.000 2 431 48 48 LEU CD2 C 23.777 0.000 2 432 48 48 LEU N N 124.688 0.000 1 433 49 49 VAL H H 8.074 0.000 1 434 49 49 VAL HA H 3.344 0.000 1 435 49 49 VAL HB H 2.184 0.000 1 436 49 49 VAL HG1 H 1.046 0.000 2 437 49 49 VAL HG2 H 0.962 0.000 2 438 49 49 VAL C C 178.029 0.000 1 439 49 49 VAL CA C 67.878 0.000 1 440 49 49 VAL CB C 31.553 0.000 1 441 49 49 VAL CG1 C 23.884 0.000 2 442 49 49 VAL CG2 C 21.692 0.000 2 443 49 49 VAL N N 118.955 0.000 1 444 50 50 GLN H H 7.979 0.000 1 445 50 50 GLN HA H 4.080 0.000 1 446 50 50 GLN HB2 H 2.201 0.000 2 447 50 50 GLN HB3 H 2.124 0.000 2 448 50 50 GLN HG2 H 2.525 0.000 2 449 50 50 GLN HG3 H 2.332 0.000 2 450 50 50 GLN C C 179.447 0.000 1 451 50 50 GLN CA C 59.109 0.000 1 452 50 50 GLN CB C 27.942 0.000 1 453 50 50 GLN CG C 34.211 0.000 1 454 50 50 GLN N N 118.495 0.000 1 455 51 51 SER H H 8.258 0.000 1 456 51 51 SER HA H 4.097 0.000 1 457 51 51 SER HB2 H 3.819 0.000 1 458 51 51 SER HB3 H 3.819 0.000 1 459 51 51 SER C C 176.606 0.000 1 460 51 51 SER CA C 62.490 0.000 1 461 51 51 SER CB C 62.881 0.000 1 462 51 51 SER N N 117.414 0.000 1 463 52 52 ILE H H 8.331 0.000 1 464 52 52 ILE HA H 3.569 0.000 1 465 52 52 ILE HB H 1.857 0.000 1 466 52 52 ILE HG12 H 1.675 0.000 2 467 52 52 ILE HG13 H 0.929 0.000 2 468 52 52 ILE HG2 H 0.786 0.000 1 469 52 52 ILE HD1 H 0.700 0.000 1 470 52 52 ILE C C 178.424 0.000 1 471 52 52 ILE CA C 65.622 0.000 1 472 52 52 ILE CB C 38.444 0.000 1 473 52 52 ILE CG1 C 30.476 0.000 1 474 52 52 ILE CG2 C 17.120 0.000 1 475 52 52 ILE CD1 C 15.283 0.000 1 476 52 52 ILE N N 123.653 0.000 1 477 53 53 GLN H H 8.700 0.000 1 478 53 53 GLN HA H 3.948 0.000 1 479 53 53 GLN HB2 H 2.311 0.000 2 480 53 53 GLN HB3 H 2.130 0.000 2 481 53 53 GLN HG2 H 2.558 0.000 2 482 53 53 GLN HG3 H 2.400 0.000 2 483 53 53 GLN C C 178.837 0.000 1 484 53 53 GLN CA C 59.398 0.000 1 485 53 53 GLN CB C 28.102 0.000 1 486 53 53 GLN CG C 34.031 0.000 1 487 53 53 GLN N N 120.396 0.000 1 488 54 54 SER H H 8.015 0.000 1 489 54 54 SER HA H 4.319 0.000 1 490 54 54 SER HB2 H 4.034 0.000 2 491 54 54 SER HB3 H 3.989 0.000 2 492 54 54 SER C C 176.629 0.000 1 493 54 54 SER CA C 61.371 0.000 1 494 54 54 SER CB C 62.983 0.000 1 495 54 54 SER N N 114.834 0.000 1 496 55 55 LEU H H 8.028 0.000 1 497 55 55 LEU HA H 4.108 0.000 1 498 55 55 LEU HB2 H 1.859 0.000 2 499 55 55 LEU HB3 H 1.501 0.000 2 500 55 55 LEU HG H 1.862 0.000 1 501 55 55 LEU HD1 H 0.811 0.000 2 502 55 55 LEU HD2 H 0.855 0.000 2 503 55 55 LEU C C 179.225 0.000 1 504 55 55 LEU CA C 57.404 0.000 1 505 55 55 LEU CB C 42.225 0.000 1 506 55 55 LEU CG C 26.676 0.000 1 507 55 55 LEU CD1 C 25.615 0.000 2 508 55 55 LEU CD2 C 23.435 0.000 2 509 55 55 LEU N N 121.923 0.000 1 510 56 56 ALA H H 8.192 0.000 1 511 56 56 ALA HA H 4.249 0.000 1 512 56 56 ALA HB H 1.506 0.000 1 513 56 56 ALA C C 179.851 0.000 1 514 56 56 ALA CA C 54.176 0.000 1 515 56 56 ALA CB C 18.002 0.000 1 516 56 56 ALA N N 121.674 0.000 1 517 57 57 ALA H H 7.944 0.000 1 518 57 57 ALA HA H 4.216 0.000 1 519 57 57 ALA HB H 1.556 0.000 1 520 57 57 ALA C C 179.172 0.000 1 521 57 57 ALA CA C 54.329 0.000 1 522 57 57 ALA CB C 18.541 0.000 1 523 57 57 ALA N N 121.050 0.000 1 524 58 58 GLN H H 7.873 0.000 1 525 58 58 GLN HA H 4.346 0.000 1 526 58 58 GLN HB2 H 2.278 0.000 2 527 58 58 GLN HB3 H 2.076 0.000 2 528 58 58 GLN HG2 H 2.542 0.000 2 529 58 58 GLN HG3 H 2.439 0.000 2 530 58 58 GLN C C 176.709 0.000 1 531 58 58 GLN CA C 56.178 0.000 1 532 58 58 GLN CB C 29.426 0.000 1 533 58 58 GLN CG C 34.110 0.000 1 534 58 58 GLN N N 114.855 0.000 1 535 59 59 GLY H H 7.912 0.000 1 536 59 59 GLY HA2 H 4.138 0.000 2 537 59 59 GLY HA3 H 3.925 0.000 2 538 59 59 GLY C C 174.372 0.000 1 539 59 59 GLY CA C 46.042 0.000 1 540 59 59 GLY N N 108.112 0.000 1 541 60 60 ARG H H 8.084 0.000 1 542 60 60 ARG HA H 4.518 0.000 1 543 60 60 ARG HB2 H 1.979 0.000 2 544 60 60 ARG HB3 H 1.722 0.000 2 545 60 60 ARG HG2 H 1.660 0.000 2 546 60 60 ARG HG3 H 1.602 0.000 2 547 60 60 ARG HD2 H 3.213 0.000 2 548 60 60 ARG HD3 H 3.217 0.000 2 549 60 60 ARG C C 175.999 0.000 1 550 60 60 ARG CA C 55.829 0.000 1 551 60 60 ARG CB C 31.411 0.000 1 552 60 60 ARG CG C 27.257 0.000 1 553 60 60 ARG CD C 43.508 0.000 1 554 60 60 ARG N N 119.070 0.000 1 555 61 61 THR H H 8.153 0.000 1 556 61 61 THR HA H 4.127 0.000 1 557 61 61 THR HB H 4.124 0.000 1 558 61 61 THR HG2 H 1.187 0.000 1 559 61 61 THR C C 173.895 0.000 1 560 61 61 THR CA C 62.468 0.000 1 561 61 61 THR CB C 68.804 0.000 1 562 61 61 THR CG2 C 22.397 0.000 1 563 61 61 THR N N 116.205 0.000 1 564 62 62 SER H H 8.024 0.000 1 565 62 62 SER HA H 4.835 0.000 1 566 62 62 SER HB2 H 4.203 0.000 2 567 62 62 SER HB3 H 3.962 0.000 2 568 62 62 SER C C 173.502 0.000 1 569 62 62 SER CA C 56.224 0.000 1 570 62 62 SER CB C 63.580 0.000 1 571 62 62 SER N N 120.366 0.000 1 572 63 63 PRO HA H 4.291 0.000 1 573 63 63 PRO HB2 H 2.451 0.000 2 574 63 63 PRO HB3 H 2.015 0.000 2 575 63 63 PRO HG2 H 2.200 0.000 2 576 63 63 PRO HG3 H 2.066 0.000 2 577 63 63 PRO HD2 H 3.961 0.000 1 578 63 63 PRO HD3 H 3.961 0.000 1 579 63 63 PRO CA C 65.700 0.000 1 580 63 63 PRO CB C 32.047 0.000 1 581 63 63 PRO CG C 27.803 0.000 1 582 63 63 PRO CD C 50.840 0.000 1 583 64 64 ASN HA H 4.533 0.000 1 584 64 64 ASN HB2 H 2.825 0.000 2 585 64 64 ASN HB3 H 2.822 0.000 2 586 64 64 ASN C C 177.837 0.000 1 587 64 64 ASN CA C 55.899 0.000 1 588 64 64 ASN CB C 37.742 0.000 1 589 65 65 LYS H H 7.768 0.000 1 590 65 65 LYS HA H 4.200 0.000 1 591 65 65 LYS HB2 H 1.846 0.000 2 592 65 65 LYS HB3 H 1.835 0.000 2 593 65 65 LYS HG2 H 1.569 0.000 2 594 65 65 LYS HG3 H 1.494 0.000 2 595 65 65 LYS HD2 H 1.699 0.000 2 596 65 65 LYS HD3 H 1.705 0.000 2 597 65 65 LYS HE2 H 2.962 0.000 2 598 65 65 LYS HE3 H 2.961 0.000 2 599 65 65 LYS C C 178.640 0.000 1 600 65 65 LYS CA C 57.722 0.000 1 601 65 65 LYS CB C 32.059 0.000 1 602 65 65 LYS CG C 25.111 0.000 1 603 65 65 LYS CD C 28.527 0.000 1 604 65 65 LYS CE C 42.292 0.000 1 605 65 65 LYS N N 120.894 0.000 1 606 66 66 LEU H H 7.856 0.000 1 607 66 66 LEU HA H 4.114 0.000 1 608 66 66 LEU HB2 H 1.698 0.000 2 609 66 66 LEU HB3 H 2.006 0.000 2 610 66 66 LEU HG H 1.808 0.000 1 611 66 66 LEU HD1 H 0.890 0.000 2 612 66 66 LEU HD2 H 0.913 0.000 2 613 66 66 LEU C C 178.942 0.000 1 614 66 66 LEU CA C 57.881 0.000 1 615 66 66 LEU CB C 41.158 0.000 1 616 66 66 LEU CG C 26.948 0.000 1 617 66 66 LEU CD1 C 23.097 0.000 2 618 66 66 LEU CD2 C 25.560 0.000 2 619 66 66 LEU N N 118.961 0.000 1 620 67 67 GLN H H 8.128 0.000 1 621 67 67 GLN HA H 4.185 0.000 1 622 67 67 GLN HB2 H 2.222 0.000 2 623 67 67 GLN HB3 H 2.220 0.000 2 624 67 67 GLN HG2 H 2.510 0.000 2 625 67 67 GLN HG3 H 2.499 0.000 2 626 67 67 GLN C C 178.425 0.000 1 627 67 67 GLN CA C 58.874 0.000 1 628 67 67 GLN CB C 28.056 0.000 1 629 67 67 GLN CG C 33.664 0.000 1 630 67 67 GLN N N 118.581 0.000 1 631 68 68 ALA H H 7.732 0.000 1 632 68 68 ALA HA H 4.167 0.000 1 633 68 68 ALA HB H 1.508 0.000 1 634 68 68 ALA C C 181.076 0.000 1 635 68 68 ALA CA C 55.201 0.000 1 636 68 68 ALA CB C 17.834 0.000 1 637 68 68 ALA N N 121.245 0.000 1 638 69 69 LEU H H 7.704 0.000 1 639 69 69 LEU HA H 3.902 0.000 1 640 69 69 LEU HB2 H 0.386 0.000 2 641 69 69 LEU HB3 H 1.730 0.000 2 642 69 69 LEU HG H 1.610 0.000 1 643 69 69 LEU HD1 H 0.482 0.000 2 644 69 69 LEU HD2 H 0.539 0.000 2 645 69 69 LEU C C 178.476 0.000 1 646 69 69 LEU CA C 57.999 0.000 1 647 69 69 LEU CB C 40.611 0.000 1 648 69 69 LEU CG C 26.616 0.000 1 649 69 69 LEU CD1 C 22.525 0.000 2 650 69 69 LEU CD2 C 26.449 0.000 2 651 69 69 LEU N N 121.048 0.000 1 652 70 70 ASN H H 8.139 0.000 1 653 70 70 ASN HB2 H 3.323 0.000 2 654 70 70 ASN HB3 H 2.619 0.000 2 655 70 70 ASN C C 177.898 0.000 1 656 70 70 ASN CB C 37.541 0.000 1 657 70 70 ASN N N 118.814 0.000 1 658 71 71 MET H H 8.255 0.000 1 659 71 71 MET HA H 4.270 0.000 1 660 71 71 MET HB2 H 2.327 0.000 2 661 71 71 MET HB3 H 2.281 0.000 2 662 71 71 MET HG2 H 2.887 0.000 2 663 71 71 MET HG3 H 2.711 0.000 2 664 71 71 MET HE H 2.139 0.000 1 665 71 71 MET C C 178.115 0.000 1 666 71 71 MET CA C 59.248 0.000 1 667 71 71 MET CB C 32.601 0.000 1 668 71 71 MET CG C 33.016 0.000 1 669 71 71 MET CE C 17.542 0.000 1 670 71 71 MET N N 117.211 0.000 1 671 72 72 ALA H H 8.119 0.000 1 672 72 72 ALA HA H 4.085 0.000 1 673 72 72 ALA HB H 1.462 0.000 1 674 72 72 ALA C C 180.378 0.000 1 675 72 72 ALA CA C 55.201 0.000 1 676 72 72 ALA CB C 18.010 0.000 1 677 72 72 ALA N N 123.657 0.000 1 678 73 73 PHE H H 8.547 0.000 1 679 73 73 PHE HA H 4.455 0.000 1 680 73 73 PHE HB2 H 3.379 0.000 2 681 73 73 PHE HB3 H 3.347 0.000 2 682 73 73 PHE HD1 H 7.293 0.000 1 683 73 73 PHE HD2 H 7.293 0.000 1 684 73 73 PHE C C 176.901 0.000 1 685 73 73 PHE CA C 59.072 0.000 1 686 73 73 PHE CB C 39.813 0.000 1 687 73 73 PHE N N 118.900 0.000 1 688 74 74 ALA H H 8.858 0.000 1 689 74 74 ALA HA H 3.795 0.000 1 690 74 74 ALA HB H 1.671 0.000 1 691 74 74 ALA C C 179.106 0.000 1 692 74 74 ALA CA C 55.221 0.000 1 693 74 74 ALA CB C 20.936 0.000 1 694 74 74 ALA N N 118.732 0.000 1 695 75 75 SER H H 8.584 0.000 1 696 75 75 SER HA H 3.588 0.000 1 697 75 75 SER HB2 H 3.389 0.000 2 698 75 75 SER HB3 H 3.335 0.000 2 699 75 75 SER C C 177.408 0.000 1 700 75 75 SER CA C 61.963 0.000 1 701 75 75 SER CB C 62.011 0.000 1 702 75 75 SER N N 113.163 0.000 1 703 76 76 SER H H 7.626 0.000 1 704 76 76 SER HA H 4.303 0.000 1 705 76 76 SER HB2 H 3.787 0.000 2 706 76 76 SER HB3 H 3.761 0.000 2 707 76 76 SER C C 176.714 0.000 1 708 76 76 SER CA C 62.531 0.000 1 709 76 76 SER CB C 63.632 0.000 1 710 76 76 SER N N 118.166 0.000 1 711 77 77 LEU H H 7.870 0.000 1 712 77 77 LEU HA H 3.928 0.000 1 713 77 77 LEU HB2 H 1.866 0.000 2 714 77 77 LEU HB3 H 1.170 0.000 2 715 77 77 LEU HG H 1.414 0.000 1 716 77 77 LEU HD1 H 0.077 0.000 2 717 77 77 LEU HD2 H 0.755 0.000 2 718 77 77 LEU C C 178.577 0.000 1 719 77 77 LEU CA C 57.687 0.000 1 720 77 77 LEU CB C 42.518 0.000 1 721 77 77 LEU CG C 26.347 0.000 1 722 77 77 LEU CD1 C 24.315 0.000 2 723 77 77 LEU CD2 C 23.214 0.000 2 724 77 77 LEU N N 120.936 0.000 1 725 78 78 ALA H H 8.607 0.000 1 726 78 78 ALA HA H 3.942 0.000 1 727 78 78 ALA HB H 1.676 0.000 1 728 78 78 ALA C C 178.855 0.000 1 729 78 78 ALA CA C 55.420 0.000 1 730 78 78 ALA CB C 20.102 0.000 1 731 78 78 ALA N N 120.947 0.000 1 732 79 79 GLU H H 7.647 0.000 1 733 79 79 GLU HA H 3.989 0.000 1 734 79 79 GLU HB2 H 2.186 0.000 2 735 79 79 GLU HB3 H 2.125 0.000 2 736 79 79 GLU HG2 H 2.443 0.000 2 737 79 79 GLU HG3 H 2.438 0.000 2 738 79 79 GLU C C 179.248 0.000 1 739 79 79 GLU CA C 59.339 0.000 1 740 79 79 GLU CB C 29.631 0.000 1 741 79 79 GLU CG C 36.291 0.000 1 742 79 79 GLU N N 117.076 0.000 1 743 80 80 ILE H H 7.348 0.000 1 744 80 80 ILE HA H 3.971 0.000 1 745 80 80 ILE HB H 2.047 0.000 1 746 80 80 ILE HG12 H 1.717 0.000 2 747 80 80 ILE HG13 H 1.461 0.000 2 748 80 80 ILE HG2 H 1.063 0.000 1 749 80 80 ILE HD1 H 0.897 0.000 1 750 80 80 ILE C C 178.544 0.000 1 751 80 80 ILE CA C 63.543 0.000 1 752 80 80 ILE CB C 38.216 0.000 1 753 80 80 ILE CG1 C 29.132 0.000 1 754 80 80 ILE CG2 C 18.078 0.000 1 755 80 80 ILE CD1 C 13.508 0.000 1 756 80 80 ILE N N 117.547 0.000 1 757 81 81 ALA H H 8.866 0.000 1 758 81 81 ALA HA H 3.987 0.000 1 759 81 81 ALA HB H 1.333 0.000 1 760 81 81 ALA C C 176.997 0.000 1 761 81 81 ALA CA C 54.523 0.000 1 762 81 81 ALA CB C 17.980 0.000 1 763 81 81 ALA N N 122.697 0.000 1 764 82 82 ALA H H 7.867 0.000 1 765 82 82 ALA HA H 4.283 0.000 1 766 82 82 ALA HB H 1.504 0.000 1 767 82 82 ALA C C 177.592 0.000 1 768 82 82 ALA CA C 52.300 0.000 1 769 82 82 ALA CB C 19.146 0.000 1 770 82 82 ALA N N 115.830 0.000 1 771 83 83 SER H H 7.284 0.000 1 772 83 83 SER HA H 4.331 0.000 1 773 83 83 SER HB2 H 4.131 0.000 2 774 83 83 SER HB3 H 3.976 0.000 2 775 83 83 SER C C 175.370 0.000 1 776 83 83 SER CA C 58.809 0.000 1 777 83 83 SER CB C 63.805 0.000 1 778 83 83 SER N N 113.034 0.000 1 779 84 84 GLU H H 8.663 0.000 1 780 84 84 GLU HA H 4.348 0.000 1 781 84 84 GLU HB2 H 2.159 0.000 2 782 84 84 GLU HB3 H 1.963 0.000 2 783 84 84 GLU HG2 H 2.331 0.000 2 784 84 84 GLU HG3 H 2.286 0.000 2 785 84 84 GLU C C 177.255 0.000 1 786 84 84 GLU CA C 56.772 0.000 1 787 84 84 GLU CB C 30.136 0.000 1 788 84 84 GLU CG C 36.556 0.000 1 789 84 84 GLU N N 124.166 0.000 1 790 85 85 GLU H H 8.346 0.000 1 791 85 85 GLU HA H 4.176 0.000 1 792 85 85 GLU HB2 H 1.972 0.000 2 793 85 85 GLU HB3 H 1.927 0.000 2 794 85 85 GLU HG2 H 2.278 0.000 2 795 85 85 GLU HG3 H 2.223 0.000 2 796 85 85 GLU C C 177.255 0.000 1 797 85 85 GLU CA C 57.503 0.000 1 798 85 85 GLU CB C 29.796 0.000 1 799 85 85 GLU CG C 36.360 0.000 1 800 85 85 GLU N N 121.667 0.000 1 801 86 86 GLY H H 8.599 0.000 1 802 86 86 GLY HA2 H 4.153 0.000 2 803 86 86 GLY HA3 H 3.665 0.000 2 804 86 86 GLY C C 174.988 0.000 1 805 86 86 GLY CA C 45.345 0.000 1 806 86 86 GLY N N 110.971 0.000 1 807 87 87 GLY H H 8.107 0.000 1 808 87 87 GLY HA2 H 4.036 0.000 2 809 87 87 GLY HA3 H 3.876 0.000 2 810 87 87 GLY C C 174.312 0.000 1 811 87 87 GLY CA C 45.047 0.000 1 812 87 87 GLY N N 108.343 0.000 1 813 88 88 GLY H H 8.118 0.000 1 814 88 88 GLY HA2 H 4.029 0.000 2 815 88 88 GLY HA3 H 3.874 0.000 2 816 88 88 GLY C C 173.104 0.000 1 817 88 88 GLY CA C 44.765 0.000 1 818 88 88 GLY N N 107.440 0.000 1 819 89 89 SER H H 8.231 0.000 1 820 89 89 SER HA H 4.693 0.000 1 821 89 89 SER HB2 H 4.205 0.000 2 822 89 89 SER HB3 H 3.961 0.000 2 823 89 89 SER C C 174.709 0.000 1 824 89 89 SER CA C 56.907 0.000 1 825 89 89 SER CB C 65.666 0.000 1 826 89 89 SER N N 115.118 0.000 1 827 90 90 LEU H H 8.814 0.000 1 828 90 90 LEU HA H 4.198 0.000 1 829 90 90 LEU HB2 H 1.811 0.000 2 830 90 90 LEU HB3 H 1.668 0.000 2 831 90 90 LEU HG H 1.593 0.000 1 832 90 90 LEU HD1 H 0.916 0.000 2 833 90 90 LEU HD2 H 0.781 0.000 2 834 90 90 LEU C C 179.853 0.000 1 835 90 90 LEU CA C 58.432 0.000 1 836 90 90 LEU CB C 41.404 0.000 1 837 90 90 LEU CG C 27.119 0.000 1 838 90 90 LEU CD1 C 25.899 0.000 2 839 90 90 LEU CD2 C 23.523 0.000 2 840 90 90 LEU N N 124.119 0.000 1 841 91 91 SER H H 8.605 0.000 1 842 91 91 SER HA H 4.232 0.000 1 843 91 91 SER HB2 H 3.909 0.000 2 844 91 91 SER HB3 H 3.904 0.000 2 845 91 91 SER C C 177.507 0.000 1 846 91 91 SER CA C 61.481 0.000 1 847 91 91 SER CB C 62.277 0.000 1 848 91 91 SER N N 114.563 0.000 1 849 92 92 THR H H 7.819 0.000 1 850 92 92 THR HA H 4.125 0.000 1 851 92 92 THR HB H 4.291 0.000 1 852 92 92 THR HG2 H 1.213 0.000 1 853 92 92 THR C C 177.121 0.000 1 854 92 92 THR CA C 65.994 0.000 1 855 92 92 THR CB C 68.200 0.000 1 856 92 92 THR CG2 C 21.959 0.000 1 857 92 92 THR N N 118.981 0.000 1 858 93 93 LYS H H 8.465 0.000 1 859 93 93 LYS HA H 4.125 0.000 1 860 93 93 LYS HB2 H 1.626 0.000 2 861 93 93 LYS HB3 H 2.080 0.000 2 862 93 93 LYS HG2 H 0.826 0.000 2 863 93 93 LYS HG3 H 0.820 0.000 2 864 93 93 LYS HD2 H 1.451 0.000 2 865 93 93 LYS HD3 H 1.401 0.000 2 866 93 93 LYS HE2 H 2.623 0.000 2 867 93 93 LYS HE3 H 2.680 0.000 2 868 93 93 LYS C C 179.437 0.000 1 869 93 93 LYS CA C 60.904 0.000 1 870 93 93 LYS CB C 33.062 0.002 1 871 93 93 LYS CG C 26.519 0.000 1 872 93 93 LYS CD C 29.776 0.000 1 873 93 93 LYS CE C 42.449 0.000 1 874 93 93 LYS N N 121.910 0.000 1 875 94 94 THR H H 8.775 0.000 1 876 94 94 THR HA H 3.913 0.000 1 877 94 94 THR HB H 4.300 0.000 1 878 94 94 THR HG2 H 1.226 0.000 1 879 94 94 THR C C 176.707 0.000 1 880 94 94 THR CA C 67.750 0.000 1 881 94 94 THR CB C 67.895 0.000 1 882 94 94 THR CG2 C 21.758 0.000 1 883 94 94 THR N N 113.874 0.000 1 884 95 95 SER H H 8.014 0.000 1 885 95 95 SER HA H 4.388 0.000 1 886 95 95 SER HB2 H 4.125 0.000 2 887 95 95 SER HB3 H 4.123 0.000 2 888 95 95 SER C C 177.823 0.000 1 889 95 95 SER CA C 62.098 0.000 1 890 95 95 SER CB C 62.408 0.000 1 891 95 95 SER N N 118.701 0.000 1 892 96 96 SER H H 8.495 0.000 1 893 96 96 SER HA H 4.423 0.000 1 894 96 96 SER HB2 H 4.100 0.000 1 895 96 96 SER HB3 H 4.100 0.000 1 896 96 96 SER C C 175.479 0.000 1 897 96 96 SER CA C 62.724 0.000 1 898 96 96 SER CB C 62.694 0.000 1 899 96 96 SER N N 120.922 0.000 1 900 97 97 ILE H H 8.472 0.000 1 901 97 97 ILE HA H 3.698 0.000 1 902 97 97 ILE HB H 2.226 0.000 1 903 97 97 ILE HG12 H 2.226 0.000 2 904 97 97 ILE HG13 H 0.998 0.000 2 905 97 97 ILE HG2 H 0.980 0.000 1 906 97 97 ILE HD1 H 0.983 0.000 1 907 97 97 ILE C C 177.372 0.000 1 908 97 97 ILE CA C 66.538 0.000 1 909 97 97 ILE CB C 38.368 0.000 1 910 97 97 ILE CG1 C 30.932 0.000 1 911 97 97 ILE CG2 C 17.291 0.000 1 912 97 97 ILE CD1 C 14.530 0.000 1 913 97 97 ILE N N 122.339 0.000 1 914 98 98 ALA H H 8.475 0.000 1 915 98 98 ALA HA H 4.058 0.000 1 916 98 98 ALA HB H 1.644 0.000 1 917 98 98 ALA C C 180.495 0.000 1 918 98 98 ALA CA C 56.370 0.000 1 919 98 98 ALA CB C 18.052 0.000 1 920 98 98 ALA N N 122.087 0.000 1 921 99 99 SER H H 8.424 0.000 1 922 99 99 SER HA H 4.360 0.000 1 923 99 99 SER HB2 H 4.150 0.000 2 924 99 99 SER HB3 H 4.060 0.000 2 925 99 99 SER C C 176.868 0.000 1 926 99 99 SER CA C 61.857 0.000 1 927 99 99 SER CB C 63.068 0.000 1 928 99 99 SER N N 115.338 0.000 1 929 100 100 ALA H H 8.826 0.000 1 930 100 100 ALA HA H 4.271 0.000 1 931 100 100 ALA HB H 1.509 0.000 1 932 100 100 ALA C C 181.958 0.000 1 933 100 100 ALA CA C 55.287 0.000 1 934 100 100 ALA CB C 18.392 0.000 1 935 100 100 ALA N N 124.401 0.000 1 936 101 101 LEU H H 9.122 0.000 1 937 101 101 LEU HA H 4.121 0.000 1 938 101 101 LEU HB2 H 2.527 0.000 2 939 101 101 LEU HB3 H 1.547 0.000 2 940 101 101 LEU HG H 2.269 0.000 1 941 101 101 LEU HD1 H 0.679 0.000 2 942 101 101 LEU HD2 H 0.937 0.000 2 943 101 101 LEU C C 178.115 0.000 1 944 101 101 LEU CA C 58.362 0.000 1 945 101 101 LEU CB C 43.487 0.000 1 946 101 101 LEU CG C 26.529 0.000 1 947 101 101 LEU CD1 C 24.517 0.000 2 948 101 101 LEU CD2 C 27.443 0.000 2 949 101 101 LEU N N 121.025 0.000 1 950 102 102 SER H H 8.390 0.000 1 951 102 102 SER HA H 4.220 0.000 1 952 102 102 SER HB2 H 4.172 0.000 2 953 102 102 SER HB3 H 4.166 0.000 2 954 102 102 SER C C 176.594 0.000 1 955 102 102 SER CA C 62.557 0.000 1 956 102 102 SER CB C 62.540 0.000 1 957 102 102 SER N N 115.308 0.000 1 958 103 103 ASN H H 8.273 0.000 1 959 103 103 ASN HA H 4.475 0.000 1 960 103 103 ASN HB2 H 2.826 0.000 2 961 103 103 ASN HB3 H 2.792 0.000 2 962 103 103 ASN C C 176.648 0.000 1 963 103 103 ASN CA C 56.493 0.000 1 964 103 103 ASN CB C 38.459 0.000 1 965 103 103 ASN N N 117.977 0.000 1 966 104 104 ALA H H 7.951 0.000 1 967 104 104 ALA HA H 4.253 0.000 1 968 104 104 ALA HB H 0.871 0.000 1 969 104 104 ALA C C 181.668 0.000 1 970 104 104 ALA CA C 54.835 0.000 1 971 104 104 ALA CB C 17.850 0.000 1 972 104 104 ALA N N 122.368 0.000 1 973 105 105 PHE H H 8.320 0.000 1 974 105 105 PHE HA H 4.366 0.000 1 975 105 105 PHE HB2 H 3.655 0.000 2 976 105 105 PHE HB3 H 3.279 0.000 2 977 105 105 PHE HD1 H 7.575 0.000 1 978 105 105 PHE HD2 H 7.575 0.000 1 979 105 105 PHE C C 179.116 0.000 1 980 105 105 PHE CA C 64.075 0.000 1 981 105 105 PHE CB C 39.399 0.000 1 982 105 105 PHE N N 118.640 0.000 1 983 106 106 LEU H H 8.278 0.000 1 984 106 106 LEU HA H 3.731 0.000 1 985 106 106 LEU HB2 H 2.007 0.000 2 986 106 106 LEU HB3 H 1.573 0.000 2 987 106 106 LEU HG H 1.718 0.000 1 988 106 106 LEU HD1 H 0.796 0.000 2 989 106 106 LEU HD2 H 0.898 0.000 2 990 106 106 LEU C C 179.096 0.000 1 991 106 106 LEU CA C 59.048 0.000 1 992 106 106 LEU CB C 41.200 0.000 1 993 106 106 LEU CG C 26.640 0.000 1 994 106 106 LEU CD1 C 23.001 0.000 2 995 106 106 LEU CD2 C 24.906 0.000 2 996 106 106 LEU N N 121.707 0.000 1 997 107 107 GLN H H 8.187 0.000 1 998 107 107 GLN HA H 4.178 0.000 1 999 107 107 GLN HB2 H 2.238 0.000 2 1000 107 107 GLN HB3 H 2.020 0.000 2 1001 107 107 GLN HG2 H 2.456 0.000 2 1002 107 107 GLN HG3 H 2.453 0.000 2 1003 107 107 GLN C C 176.795 0.000 1 1004 107 107 GLN CA C 57.396 0.000 1 1005 107 107 GLN CB C 29.315 0.000 1 1006 107 107 GLN CG C 33.807 0.000 1 1007 107 107 GLN N N 114.552 0.000 1 1008 108 108 THR H H 7.691 0.000 1 1009 108 108 THR HA H 4.508 0.000 1 1010 108 108 THR HB H 4.184 0.000 1 1011 108 108 THR HG2 H 1.220 0.000 1 1012 108 108 THR C C 175.767 0.000 1 1013 108 108 THR CA C 62.528 0.000 1 1014 108 108 THR CB C 70.329 0.000 1 1015 108 108 THR CG2 C 21.844 0.000 1 1016 108 108 THR N N 108.236 0.000 1 1017 109 109 THR H H 8.888 0.000 1 1018 109 109 THR HA H 4.587 0.000 1 1019 109 109 THR HB H 4.450 0.000 1 1020 109 109 THR HG2 H 1.350 0.000 1 1021 109 109 THR C C 176.197 0.000 1 1022 109 109 THR CA C 62.341 0.000 1 1023 109 109 THR CB C 70.620 0.000 1 1024 109 109 THR CG2 C 22.269 0.000 1 1025 109 109 THR N N 113.306 0.000 1 1026 110 110 GLY H H 8.329 0.000 1 1027 110 110 GLY HA2 H 4.409 0.000 2 1028 110 110 GLY HA3 H 3.974 0.000 2 1029 110 110 GLY C C 172.995 0.000 1 1030 110 110 GLY CA C 45.440 0.000 1 1031 110 110 GLY N N 109.292 0.000 1 1032 111 111 VAL H H 7.758 0.000 1 1033 111 111 VAL HA H 4.265 0.000 1 1034 111 111 VAL HB H 1.808 0.000 1 1035 111 111 VAL HG1 H 0.758 0.000 2 1036 111 111 VAL HG2 H 0.795 0.000 2 1037 111 111 VAL C C 174.478 0.000 1 1038 111 111 VAL CA C 60.769 0.000 1 1039 111 111 VAL CB C 35.329 0.000 1 1040 111 111 VAL CG1 C 20.822 0.000 2 1041 111 111 VAL CG2 C 20.431 0.000 2 1042 111 111 VAL N N 119.177 0.000 1 1043 112 112 VAL H H 8.736 0.000 1 1044 112 112 VAL HA H 3.219 0.000 1 1045 112 112 VAL HB H 1.965 0.000 1 1046 112 112 VAL HG1 H 0.849 0.000 2 1047 112 112 VAL HG2 H 1.123 0.000 2 1048 112 112 VAL C C 174.595 0.000 1 1049 112 112 VAL CA C 64.594 0.000 1 1050 112 112 VAL CB C 32.480 0.000 1 1051 112 112 VAL CG1 C 22.147 0.000 2 1052 112 112 VAL CG2 C 22.172 0.000 2 1053 112 112 VAL N N 125.253 0.000 1 1054 113 113 ASN HA H 4.480 0.000 1 1055 113 113 ASN HB2 H 1.861 0.000 2 1056 113 113 ASN HB3 H 1.785 0.000 2 1057 113 113 ASN C C 173.329 0.000 1 1058 113 113 ASN CA C 50.028 0.000 1 1059 113 113 ASN CB C 37.151 0.000 1 1060 114 114 GLN H H 8.464 0.000 1 1061 114 114 GLN HA H 3.939 0.000 1 1062 114 114 GLN HB2 H 2.164 0.000 2 1063 114 114 GLN HB3 H 2.056 0.000 2 1064 114 114 GLN HG2 H 2.419 0.000 2 1065 114 114 GLN HG3 H 2.329 0.000 2 1066 114 114 GLN C C 174.828 0.000 1 1067 114 114 GLN CA C 59.210 0.000 1 1068 114 114 GLN CB C 26.310 0.000 1 1069 114 114 GLN CG C 33.549 0.000 1 1070 114 114 GLN N N 124.273 0.000 1 1071 115 115 PRO HA H 4.244 0.000 1 1072 115 115 PRO HB2 H 2.327 0.000 2 1073 115 115 PRO HB3 H 1.810 0.000 2 1074 115 115 PRO HG2 H 2.654 0.000 2 1075 115 115 PRO HG3 H 1.854 0.000 2 1076 115 115 PRO HD2 H 3.976 0.000 2 1077 115 115 PRO HD3 H 3.691 0.000 2 1078 115 115 PRO C C 179.188 0.000 1 1079 115 115 PRO CA C 66.679 0.000 1 1080 115 115 PRO CB C 31.134 0.000 1 1081 115 115 PRO CG C 28.363 0.000 1 1082 115 115 PRO CD C 50.600 0.000 1 1083 116 116 PHE H H 7.342 0.000 1 1084 116 116 PHE HA H 4.217 0.000 1 1085 116 116 PHE HB2 H 3.014 0.000 2 1086 116 116 PHE HB3 H 2.862 0.000 2 1087 116 116 PHE HD1 H 7.129 0.000 1 1088 116 116 PHE HD2 H 7.129 0.000 1 1089 116 116 PHE C C 176.543 0.000 1 1090 116 116 PHE CA C 61.212 0.000 1 1091 116 116 PHE CB C 39.170 0.000 1 1092 116 116 PHE N N 117.874 0.000 1 1093 117 117 ILE H H 7.705 0.000 1 1094 117 117 ILE HA H 3.449 0.000 1 1095 117 117 ILE HB H 2.093 0.000 1 1096 117 117 ILE HG12 H 2.322 0.000 2 1097 117 117 ILE HG13 H 1.285 0.000 2 1098 117 117 ILE HG2 H 1.082 0.000 1 1099 117 117 ILE HD1 H 1.055 0.000 1 1100 117 117 ILE C C 178.493 0.000 1 1101 117 117 ILE CA C 66.318 0.000 1 1102 117 117 ILE CB C 37.855 0.000 1 1103 117 117 ILE CG1 C 29.970 0.000 1 1104 117 117 ILE CG2 C 17.192 0.000 1 1105 117 117 ILE CD1 C 14.598 0.000 1 1106 117 117 ILE N N 119.574 0.000 1 1107 118 118 ASN H H 8.981 0.000 1 1108 118 118 ASN HA H 4.315 0.000 1 1109 118 118 ASN HB2 H 2.906 0.000 2 1110 118 118 ASN HB3 H 2.847 0.000 2 1111 118 118 ASN C C 176.989 0.000 1 1112 118 118 ASN CA C 55.640 0.000 1 1113 118 118 ASN CB C 37.398 0.000 1 1114 118 118 ASN N N 119.852 0.000 1 1115 119 119 GLU H H 8.093 0.000 1 1116 119 119 GLU HA H 4.032 0.000 1 1117 119 119 GLU HB2 H 2.086 0.000 2 1118 119 119 GLU HB3 H 1.981 0.000 2 1119 119 119 GLU HG2 H 2.093 0.000 2 1120 119 119 GLU HG3 H 2.246 0.000 2 1121 119 119 GLU C C 178.551 0.000 1 1122 119 119 GLU CA C 59.545 0.000 1 1123 119 119 GLU CB C 29.437 0.000 1 1124 119 119 GLU CG C 35.886 0.000 1 1125 119 119 GLU N N 121.427 0.000 1 1126 120 120 ILE H H 8.172 0.000 1 1127 120 120 ILE HA H 3.695 0.000 1 1128 120 120 ILE HB H 1.940 0.000 1 1129 120 120 ILE HG12 H 0.832 0.000 2 1130 120 120 ILE HG13 H 1.212 0.000 2 1131 120 120 ILE HG2 H 0.653 0.000 1 1132 120 120 ILE HD1 H 0.676 0.000 1 1133 120 120 ILE C C 178.394 0.000 1 1134 120 120 ILE CA C 62.492 0.000 1 1135 120 120 ILE CB C 35.096 0.000 1 1136 120 120 ILE CG1 C 27.744 0.000 1 1137 120 120 ILE CG2 C 18.248 0.000 1 1138 120 120 ILE CD1 C 9.019 0.000 1 1139 120 120 ILE N N 117.023 0.000 1 1140 121 121 THR H H 8.759 0.000 1 1141 121 121 THR HA H 3.727 0.000 1 1142 121 121 THR HB H 4.237 0.000 1 1143 121 121 THR HG2 H 1.274 0.000 1 1144 121 121 THR C C 177.386 0.000 1 1145 121 121 THR CA C 67.186 0.000 1 1146 121 121 THR CB C 68.265 0.000 1 1147 121 121 THR CG2 C 21.925 0.000 1 1148 121 121 THR N N 111.857 0.000 1 1149 122 122 GLN H H 8.118 0.000 1 1150 122 122 GLN HA H 4.095 0.000 1 1151 122 122 GLN HB2 H 2.223 0.000 2 1152 122 122 GLN HB3 H 2.128 0.000 2 1153 122 122 GLN HG2 H 2.473 0.000 2 1154 122 122 GLN HG3 H 2.373 0.000 2 1155 122 122 GLN C C 178.989 0.000 1 1156 122 122 GLN CA C 59.291 0.000 1 1157 122 122 GLN CB C 28.010 0.000 1 1158 122 122 GLN CG C 33.945 0.000 1 1159 122 122 GLN N N 123.197 0.000 1 1160 123 123 LEU H H 8.160 0.000 1 1161 123 123 LEU HA H 3.911 0.000 1 1162 123 123 LEU HB2 H 2.034 0.000 2 1163 123 123 LEU HB3 H 1.189 0.000 2 1164 123 123 LEU HG H 1.949 0.000 1 1165 123 123 LEU HD1 H 0.797 0.000 2 1166 123 123 LEU HD2 H 0.884 0.000 2 1167 123 123 LEU C C 178.632 0.000 1 1168 123 123 LEU CA C 57.873 0.000 1 1169 123 123 LEU CB C 42.866 0.000 1 1170 123 123 LEU CG C 26.816 0.000 1 1171 123 123 LEU CD1 C 22.622 0.000 2 1172 123 123 LEU CD2 C 26.195 0.000 2 1173 123 123 LEU N N 120.969 0.000 1 1174 124 124 VAL H H 8.827 0.000 1 1175 124 124 VAL HA H 3.598 0.000 1 1176 124 124 VAL HB H 2.233 0.000 1 1177 124 124 VAL HG1 H 0.769 0.000 2 1178 124 124 VAL HG2 H 1.175 0.000 2 1179 124 124 VAL C C 177.399 0.000 1 1180 124 124 VAL CA C 67.363 0.000 1 1181 124 124 VAL CB C 31.460 0.000 1 1182 124 124 VAL CG1 C 21.045 0.000 2 1183 124 124 VAL CG2 C 24.458 0.000 2 1184 124 124 VAL N N 119.335 0.000 1 1185 125 125 SER H H 7.780 0.000 1 1186 125 125 SER HA H 4.081 0.000 1 1187 125 125 SER HB2 H 3.945 0.000 2 1188 125 125 SER HB3 H 3.942 0.000 2 1189 125 125 SER C C 176.087 0.000 1 1190 125 125 SER CA C 62.188 0.000 1 1191 125 125 SER CB C 62.916 0.000 1 1192 125 125 SER N N 112.742 0.000 1 1193 126 126 MET H H 7.935 0.000 1 1194 126 126 MET HA H 4.070 0.000 1 1195 126 126 MET HB2 H 2.021 0.000 1 1196 126 126 MET HB3 H 2.021 0.000 1 1197 126 126 MET HG2 H 2.548 0.000 2 1198 126 126 MET HG3 H 2.543 0.000 2 1199 126 126 MET HE H 1.637 0.000 1 1200 126 126 MET C C 179.458 0.000 1 1201 126 126 MET CA C 58.831 0.000 1 1202 126 126 MET CB C 32.728 0.000 1 1203 126 126 MET CG C 31.510 0.000 1 1204 126 126 MET CE C 16.621 0.000 1 1205 126 126 MET N N 120.926 0.000 1 1206 127 127 PHE H H 8.780 0.000 1 1207 127 127 PHE HA H 4.473 0.000 1 1208 127 127 PHE HB2 H 3.265 0.000 2 1209 127 127 PHE HB3 H 2.899 0.000 2 1210 127 127 PHE C C 178.824 0.000 1 1211 127 127 PHE CA C 60.333 0.000 1 1212 127 127 PHE CB C 38.729 0.000 1 1213 127 127 PHE N N 118.970 0.000 1 1214 128 128 ALA H H 8.652 0.000 1 1215 128 128 ALA HA H 4.254 0.000 1 1216 128 128 ALA HB H 1.526 0.000 1 1217 128 128 ALA C C 178.837 0.000 1 1218 128 128 ALA CA C 54.249 0.000 1 1219 128 128 ALA CB C 19.306 0.000 1 1220 128 128 ALA N N 121.360 0.000 1 1221 129 129 GLN H H 7.764 0.000 1 1222 129 129 GLN HA H 4.239 0.000 1 1223 129 129 GLN HB2 H 2.205 0.000 2 1224 129 129 GLN HB3 H 2.121 0.000 2 1225 129 129 GLN HG2 H 2.516 0.000 2 1226 129 129 GLN HG3 H 2.383 0.000 2 1227 129 129 GLN C C 176.818 0.000 1 1228 129 129 GLN CA C 56.992 0.000 1 1229 129 129 GLN CB C 29.149 0.000 1 1230 129 129 GLN CG C 34.345 0.000 1 1231 129 129 GLN N N 115.871 0.000 1 1232 130 130 ALA H H 7.826 0.000 1 1233 130 130 ALA HA H 4.275 0.000 1 1234 130 130 ALA HB H 1.506 0.000 1 1235 130 130 ALA C C 178.745 0.000 1 1236 130 130 ALA CA C 53.801 0.000 1 1237 130 130 ALA CB C 18.835 0.000 1 1238 130 130 ALA N N 122.518 0.000 1 1239 131 131 GLY H H 8.191 0.000 1 1240 131 131 GLY HA2 H 4.039 0.000 2 1241 131 131 GLY HA3 H 3.937 0.000 2 1242 131 131 GLY C C 174.617 0.000 1 1243 131 131 GLY CA C 45.564 0.000 1 1244 131 131 GLY N N 106.617 0.000 1 1245 132 132 MET H H 7.943 0.000 1 1246 132 132 MET HA H 4.473 0.000 1 1247 132 132 MET HB2 H 2.140 0.000 2 1248 132 132 MET HB3 H 2.038 0.000 2 1249 132 132 MET HG2 H 2.636 0.000 2 1250 132 132 MET HG3 H 2.544 0.000 2 1251 132 132 MET HE H 2.094 0.000 1 1252 132 132 MET C C 176.130 0.000 1 1253 132 132 MET CA C 55.838 0.000 1 1254 132 132 MET CB C 32.982 0.000 1 1255 132 132 MET CG C 32.098 0.000 1 1256 132 132 MET CE C 17.051 0.000 1 1257 132 132 MET N N 119.155 0.000 1 1258 133 133 ASN H H 8.337 0.000 1 1259 133 133 ASN HA H 4.730 0.000 1 1260 133 133 ASN HB2 H 2.835 0.000 2 1261 133 133 ASN HB3 H 2.734 0.000 2 1262 133 133 ASN C C 174.742 0.000 1 1263 133 133 ASN CA C 53.387 0.000 1 1264 133 133 ASN CB C 39.242 0.000 1 1265 133 133 ASN N N 118.988 0.000 1 1266 134 134 ASP H H 8.293 0.000 1 1267 134 134 ASP HA H 4.642 0.000 1 1268 134 134 ASP HB2 H 2.721 0.000 2 1269 134 134 ASP HB3 H 2.620 0.000 2 1270 134 134 ASP C C 176.192 0.000 1 1271 134 134 ASP CA C 54.400 0.000 1 1272 134 134 ASP CB C 41.181 0.000 1 1273 134 134 ASP N N 120.934 0.000 1 1274 135 135 VAL H H 8.073 0.000 1 1275 135 135 VAL HA H 4.193 0.000 1 1276 135 135 VAL HB H 2.150 0.000 1 1277 135 135 VAL HG1 H 0.935 0.000 2 1278 135 135 VAL HG2 H 0.939 0.000 2 1279 135 135 VAL C C 176.197 0.000 1 1280 135 135 VAL CA C 62.180 0.000 1 1281 135 135 VAL CB C 32.701 0.000 1 1282 135 135 VAL CG1 C 20.203 0.000 2 1283 135 135 VAL CG2 C 21.221 0.000 2 1284 135 135 VAL N N 119.885 0.000 1 1285 136 136 SER H H 8.394 0.000 1 1286 136 136 SER HA H 4.456 0.000 1 1287 136 136 SER HB2 H 3.865 0.000 2 1288 136 136 SER HB3 H 3.861 0.000 2 1289 136 136 SER C C 173.293 0.000 1 1290 136 136 SER CA C 58.336 0.000 1 1291 136 136 SER CB C 64.029 0.000 1 1292 136 136 SER N N 120.030 0.000 1 1293 137 137 ALA H H 7.963 0.000 1 1294 137 137 ALA HA H 4.139 0.000 1 1295 137 137 ALA HB H 1.340 0.000 1 1296 137 137 ALA CA C 53.943 0.000 1 1297 137 137 ALA CB C 20.217 0.000 1 1298 137 137 ALA N N 131.906 0.000 1 stop_ save_