data_6147 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C chemical shift assignments of the Vibrio Harveyi histidine phosphotransferase protein LuxU ; _BMRB_accession_number 6147 _BMRB_flat_file_name bmr6147.str _Entry_type original _Submission_date 2004-03-16 _Accession_date 2004-03-17 _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 Ulrich Dagny L. . 2 Thompson Richele . . 3 Bassler Bonnie . . 4 Cavanagh John . . 5 Loria J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 559 "13C chemical shifts" 455 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-27 update BMRB 'updated citation' 2004-06-25 original author 'Original Release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, and 13C chemical shift assignments of the Vibrio Harveyi histidine phosphotransferase protein LuxU' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15243194 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ulrich Dagny L. . 2 Thompson Richele . . 3 Bassler Bonnie . . 4 Cavanagh John . . 5 Loria J. P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 551 _Page_last 552 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_LuxU _Saveframe_category molecular_system _Mol_system_name LuxU _Abbreviation_common LuxU _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LuxU $LuxU stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LuxU _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LuxU _Abbreviation_common LuxU _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; HHHHHHMNTDVLNQQKIEEL SAEIGSDNVPVLLDIFLGEM DSYIGTLTELQGSEQLLYLK EISHALKSSAASFGADRLCE RAIAIDKKAKANQLQEQGME TSEMLALLHITRDAYRSWTN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 HIS 2 -5 HIS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 1 MET 8 2 ASN 9 3 THR 10 4 ASP 11 5 VAL 12 6 LEU 13 7 ASN 14 8 GLN 15 9 GLN 16 10 LYS 17 11 ILE 18 12 GLU 19 13 GLU 20 14 LEU 21 15 SER 22 16 ALA 23 17 GLU 24 18 ILE 25 19 GLY 26 20 SER 27 21 ASP 28 22 ASN 29 23 VAL 30 24 PRO 31 25 VAL 32 26 LEU 33 27 LEU 34 28 ASP 35 29 ILE 36 30 PHE 37 31 LEU 38 32 GLY 39 33 GLU 40 34 MET 41 35 ASP 42 36 SER 43 37 TYR 44 38 ILE 45 39 GLY 46 40 THR 47 41 LEU 48 42 THR 49 43 GLU 50 44 LEU 51 45 GLN 52 46 GLY 53 47 SER 54 48 GLU 55 49 GLN 56 50 LEU 57 51 LEU 58 52 TYR 59 53 LEU 60 54 LYS 61 55 GLU 62 56 ILE 63 57 SER 64 58 HIS 65 59 ALA 66 60 LEU 67 61 LYS 68 62 SER 69 63 SER 70 64 ALA 71 65 ALA 72 66 SER 73 67 PHE 74 68 GLY 75 69 ALA 76 70 ASP 77 71 ARG 78 72 LEU 79 73 CYS 80 74 GLU 81 75 ARG 82 76 ALA 83 77 ILE 84 78 ALA 85 79 ILE 86 80 ASP 87 81 LYS 88 82 LYS 89 83 ALA 90 84 LYS 91 85 ALA 92 86 ASN 93 87 GLN 94 88 LEU 95 89 GLN 96 90 GLU 97 91 GLN 98 92 GLY 99 93 MET 100 94 GLU 101 95 THR 102 96 SER 103 97 GLU 104 98 MET 105 99 LEU 106 100 ALA 107 101 LEU 108 102 LEU 109 103 HIS 110 104 ILE 111 105 THR 112 106 ARG 113 107 ASP 114 108 ALA 115 109 TYR 116 110 ARG 117 111 SER 118 112 TRP 119 113 THR 120 114 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1Y6D "Solution Structure And Dynamics Of Luxu From Vibrio Harveyi, A Phosphotransferase Protein Involved In Bacterial Quorum Sensing" 100.00 120 100.00 100.00 1.69e-81 GB AAD12737 "phosphorelay protein [Vibrio harveyi]" 95.00 114 100.00 100.00 2.87e-76 GB ABU71911 "hypothetical protein VIBHAR_02958 [Vibrio campbellii ATCC BAA-1116]" 95.00 114 100.00 100.00 2.87e-76 GB AGU95729 "phosphorelay protein LuxU [Vibrio campbellii ATCC BAA-1116]" 95.00 114 100.00 100.00 2.87e-76 GB EDL67316 "phosphorelay protein LuxU [Vibrio campbellii HY01]" 95.00 114 97.37 97.37 5.89e-73 REF WP_005433209 "phosphorelay protein luxU [Vibrio campbellii]" 95.00 114 97.37 97.37 5.89e-73 REF WP_012128493 "phosphorelay protein luxU [Vibrio campbellii]" 95.00 114 100.00 100.00 2.87e-76 REF WP_038889851 "phosphorelay protein LuxU [Vibrio campbellii]" 95.00 114 97.37 97.37 4.64e-73 REF YP_001446138 "hypothetical protein VIBHAR_02958 [Vibrio campbellii ATCC BAA-1116]" 95.00 114 100.00 100.00 2.87e-76 REF YP_008527901 "phosphorelay protein LuxU [Vibrio campbellii ATCC BAA-1116]" 95.00 114 100.00 100.00 2.87e-76 SP A7MVC1 "RecName: Full=Phosphorelay protein LuxU [Vibrio campbellii ATCC BAA-1116]" 95.00 114 100.00 100.00 2.87e-76 SP P0C5S4 "RecName: Full=Phosphorelay protein LuxU [Vibrio harveyi]" 95.00 114 100.00 100.00 2.87e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LuxU 'Vibrio harveyi' 669 Eubacteria . Vibrio harveyi 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 $LuxU 'recombinant technology' . . . . . 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 $LuxU 1 mM '[U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LuxU 1 mM '[U-95% 13C; U-98% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.4 0.1 n/a temperature 294 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name LuxU _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 1 7 MET H H 8.752 0.028 1 2 1 7 MET N N 122.821 0.235 1 3 1 7 MET CA C 55.843 0.138 1 4 1 7 MET HA H 4.706 0.024 1 5 1 7 MET C C 176.644 0.114 1 6 1 7 MET CB C 32.821 0.452 1 7 1 7 MET HB2 H 2.266 0.032 1 8 1 7 MET HG2 H 1.708 0.025 1 9 1 7 MET HG3 H 2.736 0.034 1 10 2 8 ASN H H 8.876 0.022 1 11 2 8 ASN N N 121.145 0.145 1 12 2 8 ASN CA C 53.619 0.053 1 13 2 8 ASN HA H 5.034 0.022 1 14 2 8 ASN C C 176.207 0.027 1 15 2 8 ASN CB C 39.544 0.096 1 16 2 8 ASN HB3 H 3.016 0.020 1 17 3 9 THR H H 8.370 0.046 1 18 3 9 THR N N 115.278 0.133 1 19 3 9 THR CA C 61.681 0.198 1 20 3 9 THR HA H 4.558 0.037 1 21 3 9 THR C C 175.724 0.105 1 22 3 9 THR CB C 70.708 0.071 1 23 3 9 THR HB H 4.364 0.075 1 24 3 9 THR CG2 C 23.043 0.112 1 25 3 9 THR HG2 H 1.410 0.026 1 26 4 10 ASP H H 9.478 0.065 1 27 4 10 ASP N N 126.409 0.182 1 28 4 10 ASP CA C 55.296 0.097 1 29 4 10 ASP HA H 4.838 0.050 1 30 4 10 ASP C C 177.181 0.029 1 31 4 10 ASP CB C 41.362 0.313 1 32 4 10 ASP HB2 H 2.789 0.020 1 33 5 11 VAL H H 8.752 0.033 1 34 5 11 VAL N N 122.708 0.162 1 35 5 11 VAL CA C 65.383 0.102 1 36 5 11 VAL HA H 4.289 0.028 1 37 5 11 VAL C C 175.806 0.189 1 38 5 11 VAL CB C 31.033 0.558 1 39 5 11 VAL HB H 2.234 0.031 1 40 5 11 VAL CG1 C 22.479 0.214 1 41 5 11 VAL HG1 H 1.336 0.027 1 42 5 11 VAL CG2 C 18.915 0.232 1 43 5 11 VAL HG2 H 1.609 0.024 1 44 6 12 LEU H H 7.534 0.027 1 45 6 12 LEU N N 120.707 0.139 1 46 6 12 LEU CA C 55.688 0.072 1 47 6 12 LEU HA H 4.910 0.052 1 48 6 12 LEU C C 175.864 0.000 1 49 6 12 LEU CB C 45.006 0.103 1 50 6 12 LEU HB2 H 2.327 0.029 1 51 6 12 LEU HB3 H 1.552 0.028 1 52 6 12 LEU CG C 25.906 0.176 1 53 6 12 LEU CD1 C 24.033 0.271 1 54 6 12 LEU HD1 H 0.427 0.018 1 55 6 12 LEU CD2 C 26.478 0.173 1 56 6 12 LEU HD2 H -0.023 0.019 1 57 6 12 LEU HG H 1.214 0.033 1 58 7 13 ASN H H 9.536 0.031 1 59 7 13 ASN N N 127.284 0.197 1 60 7 13 ASN CA C 52.513 0.062 1 61 7 13 ASN HA H 5.044 0.056 1 62 7 13 ASN C C 175.845 0.014 1 63 7 13 ASN CB C 38.516 0.171 1 64 7 13 ASN HB2 H 2.930 0.044 1 65 7 13 ASN HB3 H 3.461 0.044 1 66 8 14 GLN H H 8.981 0.058 1 67 8 14 GLN N N 127.475 0.128 1 68 8 14 GLN CA C 59.078 0.092 1 69 8 14 GLN HA H 3.934 0.032 1 70 8 14 GLN C C 179.178 0.311 1 71 8 14 GLN CB C 28.873 0.118 1 72 8 14 GLN HB3 H 2.355 0.017 1 73 8 14 GLN CG C 34.259 0.130 1 74 8 14 GLN HG2 H 3.067 0.018 1 75 8 14 GLN HG3 H 2.567 0.043 1 76 9 15 GLN H H 8.392 0.172 1 77 9 15 GLN N N 120.498 0.218 1 78 9 15 GLN CA C 59.589 0.080 1 79 9 15 GLN HA H 4.304 0.026 1 80 9 15 GLN C C 179.341 0.534 1 81 9 15 GLN CB C 28.792 0.147 1 82 9 15 GLN HB2 H 2.411 0.023 1 83 9 15 GLN HB3 H 2.137 0.017 1 84 9 15 GLN HG2 H 1.953 0.057 1 85 9 15 GLN HG3 H 2.661 0.032 1 86 10 16 LYS H H 7.719 0.031 1 87 10 16 LYS N N 120.896 0.127 1 88 10 16 LYS CA C 58.584 0.198 1 89 10 16 LYS HA H 4.360 0.022 1 90 10 16 LYS C C 180.207 0.025 1 91 10 16 LYS CB C 32.580 0.186 1 92 10 16 LYS HB2 H 2.084 0.009 1 93 10 16 LYS CG C 25.942 0.197 1 94 10 16 LYS HG2 H 1.349 0.028 1 95 10 16 LYS HG3 H 1.684 0.035 1 96 10 16 LYS CD C 28.614 0.002 1 97 10 16 LYS HD2 H 1.095 0.017 1 98 10 16 LYS CE C 42.885 0.097 1 99 10 16 LYS HE2 H 3.183 0.041 1 100 11 17 ILE H H 7.663 0.026 1 101 11 17 ILE N N 120.998 0.166 1 102 11 17 ILE CA C 65.042 0.156 1 103 11 17 ILE HA H 3.966 0.023 1 104 11 17 ILE C C 179.659 0.030 1 105 11 17 ILE CB C 37.514 0.171 1 106 11 17 ILE HB H 2.057 0.024 1 107 11 17 ILE CG2 C 18.207 0.157 1 108 11 17 ILE HG2 H 1.037 0.030 1 109 11 17 ILE CG1 C 29.272 0.372 1 110 11 17 ILE HG12 H 1.211 0.036 1 111 11 17 ILE HG13 H 1.579 0.031 1 112 11 17 ILE CD1 C 12.023 0.362 1 113 11 17 ILE HD1 H 0.644 0.038 1 114 12 18 GLU H H 8.540 0.024 1 115 12 18 GLU N N 123.597 0.157 1 116 12 18 GLU CA C 59.996 0.254 1 117 12 18 GLU HA H 4.351 0.039 1 118 12 18 GLU C C 180.935 0.112 1 119 12 18 GLU CB C 29.096 0.661 1 120 12 18 GLU HB2 H 2.486 0.031 1 121 12 18 GLU HB3 H 2.399 0.025 1 122 12 18 GLU CG C 37.263 0.171 1 123 12 18 GLU HG2 H 2.647 0.019 1 124 12 18 GLU HG3 H 2.814 0.042 1 125 13 19 GLU H H 8.419 0.018 1 126 13 19 GLU N N 123.038 0.198 1 127 13 19 GLU CA C 59.921 0.055 1 128 13 19 GLU HA H 4.362 0.015 1 129 13 19 GLU C C 180.302 0.020 1 130 13 19 GLU CB C 29.728 0.043 1 131 13 19 GLU HB2 H 2.354 0.025 1 132 13 19 GLU CG C 37.276 0.202 1 133 13 19 GLU HG2 H 2.759 0.018 1 134 13 19 GLU HG3 H 2.490 0.021 1 135 14 20 LEU H H 8.461 0.023 1 136 14 20 LEU N N 123.440 0.147 1 137 14 20 LEU CA C 58.199 0.245 1 138 14 20 LEU HA H 4.542 0.067 1 139 14 20 LEU C C 179.912 0.033 1 140 14 20 LEU CB C 42.432 0.156 1 141 14 20 LEU HB2 H 2.026 0.039 1 142 14 20 LEU HB3 H 1.943 0.021 1 143 14 20 LEU CG C 23.451 0.138 1 144 14 20 LEU CD1 C 25.083 0.387 1 145 14 20 LEU HD1 H 1.141 0.019 1 146 14 20 LEU HG H 3.028 0.051 1 147 15 21 SER H H 8.762 0.043 1 148 15 21 SER N N 115.099 0.163 1 149 15 21 SER CA C 61.717 0.261 1 150 15 21 SER HA H 4.100 0.014 1 151 15 21 SER C C 177.491 0.032 1 152 15 21 SER CB C 63.467 0.206 1 153 15 21 SER HB2 H 4.249 0.034 1 154 15 21 SER HB3 H 4.045 0.033 1 155 16 22 ALA H H 8.016 0.031 1 156 16 22 ALA N N 122.837 0.137 1 157 16 22 ALA CA C 54.937 0.119 1 158 16 22 ALA HA H 4.390 0.029 1 159 16 22 ALA C C 180.013 0.052 1 160 16 22 ALA CB C 18.738 0.182 1 161 16 22 ALA HB H 1.776 0.031 1 162 17 23 GLU H H 7.969 0.041 1 163 17 23 GLU N N 119.030 0.112 1 164 17 23 GLU CA C 59.000 0.192 1 165 17 23 GLU HA H 4.438 0.034 1 166 17 23 GLU C C 179.613 0.023 1 167 17 23 GLU CB C 30.814 0.168 1 168 17 23 GLU HB2 H 2.469 0.030 1 169 17 23 GLU CG C 36.341 0.190 1 170 17 23 GLU HG2 H 2.332 0.011 1 171 17 23 GLU HG3 H 2.854 0.038 1 172 18 24 ILE H H 8.588 0.034 1 173 18 24 ILE N N 111.283 0.153 1 174 18 24 ILE CA C 61.843 0.033 1 175 18 24 ILE HA H 4.820 0.037 1 176 18 24 ILE C C 177.784 0.078 1 177 18 24 ILE CB C 40.631 0.287 1 178 18 24 ILE HB H 2.393 0.019 1 179 18 24 ILE CG2 C 17.869 0.145 1 180 18 24 ILE HG2 H 1.128 0.021 1 181 18 24 ILE CD1 C 15.650 0.272 1 182 18 24 ILE HD1 H 1.424 0.066 1 183 19 25 GLY H H 8.214 0.030 1 184 19 25 GLY N N 115.326 0.142 1 185 19 25 GLY CA C 45.622 0.237 1 186 19 25 GLY HA2 H 4.132 0.027 1 187 19 25 GLY HA3 H 4.973 0.071 1 188 19 25 GLY C C 177.149 0.000 1 189 20 26 SER H H 9.085 0.022 1 190 20 26 SER N N 122.980 0.203 1 191 20 26 SER CA C 62.376 0.123 1 192 20 26 SER HA H 4.446 0.033 1 193 20 26 SER C C 177.827 0.007 1 194 20 26 SER CB C 63.448 0.091 1 195 20 26 SER HB2 H 4.201 0.010 1 196 20 26 SER HB3 H 4.268 0.049 1 197 21 27 ASP H H 9.242 0.072 1 198 21 27 ASP N N 119.718 0.118 1 199 21 27 ASP CA C 56.472 0.128 1 200 21 27 ASP HA H 4.785 0.043 1 201 21 27 ASP C C 178.255 0.055 1 202 21 27 ASP CB C 40.491 0.075 1 203 21 27 ASP HB2 H 2.973 0.042 1 204 21 27 ASP HB3 H 2.792 0.029 1 205 22 28 ASN H H 8.113 0.017 1 206 22 28 ASN N N 116.900 0.104 1 207 22 28 ASN CA C 54.422 0.086 1 208 22 28 ASN HA H 5.125 0.058 1 209 22 28 ASN C C 176.901 0.036 1 210 22 28 ASN CB C 40.281 0.415 1 211 22 28 ASN HB2 H 3.084 0.026 1 212 22 28 ASN HB3 H 2.969 0.045 1 213 23 29 VAL H H 7.695 0.031 1 214 23 29 VAL N N 122.377 0.313 1 215 23 29 VAL CA C 68.932 0.309 1 216 23 29 VAL HA H 4.037 0.042 1 217 23 29 VAL C C 174.854 0.290 1 218 23 29 VAL CB C 30.763 0.109 1 219 23 29 VAL HB H 2.682 0.027 1 220 23 29 VAL CG1 C 23.422 0.314 1 221 23 29 VAL HG1 H 1.371 0.024 1 222 23 29 VAL CG2 C 21.963 0.230 1 223 23 29 VAL HG2 H 1.208 0.032 1 224 24 30 PRO CA C 67.152 0.070 1 225 24 30 PRO HA H 4.476 0.027 1 226 24 30 PRO C C 179.335 0.000 1 227 24 30 PRO CB C 30.873 0.000 1 228 24 30 PRO HB2 H 4.020 0.013 1 229 25 31 VAL H H 7.122 0.121 1 230 25 31 VAL N N 116.734 0.763 1 231 25 31 VAL CA C 66.202 0.251 1 232 25 31 VAL HA H 4.123 0.025 1 233 25 31 VAL C C 179.334 0.103 1 234 25 31 VAL CB C 31.693 0.209 1 235 25 31 VAL HB H 2.270 0.079 1 236 25 31 VAL CG1 C 21.635 0.199 1 237 25 31 VAL HG1 H 1.267 0.043 1 238 25 31 VAL CG2 C 18.318 0.133 1 239 26 32 LEU H H 7.637 0.037 1 240 26 32 LEU N N 120.797 0.224 1 241 26 32 LEU CA C 57.944 0.076 1 242 26 32 LEU HA H 4.429 0.019 1 243 26 32 LEU C C 181.002 0.110 1 244 26 32 LEU CB C 42.019 0.115 1 245 26 32 LEU HB2 H 2.031 0.031 1 246 26 32 LEU HB3 H 1.278 0.077 1 247 26 32 LEU CG C 23.066 0.065 1 248 26 32 LEU CD1 C 23.726 0.409 1 249 26 32 LEU HD1 H 1.143 0.043 1 250 26 32 LEU CD2 C 25.451 0.088 1 251 26 32 LEU HD2 H 1.504 0.016 1 252 26 32 LEU HG H 3.322 0.082 1 253 27 33 LEU H H 8.839 0.043 1 254 27 33 LEU N N 119.936 0.157 1 255 27 33 LEU CA C 58.465 0.175 1 256 27 33 LEU HA H 4.006 0.020 1 257 27 33 LEU C C 179.657 0.000 1 258 27 33 LEU CB C 41.973 0.104 1 259 27 33 LEU HB2 H 1.732 0.048 1 260 27 33 LEU HB3 H 2.061 0.037 1 261 27 33 LEU CG C 23.556 0.136 1 262 27 33 LEU HG H 0.963 0.028 1 263 28 34 ASP H H 8.309 0.073 1 264 28 34 ASP N N 120.351 0.042 1 265 28 34 ASP CA C 58.315 0.335 1 266 28 34 ASP HA H 4.732 0.052 1 267 28 34 ASP C C 180.921 0.000 1 268 28 34 ASP CB C 40.919 0.144 1 269 28 34 ASP HB2 H 3.111 0.031 1 270 28 34 ASP HB3 H 2.879 0.040 1 271 29 35 ILE H H 7.744 0.026 1 272 29 35 ILE N N 122.931 0.162 1 273 29 35 ILE CA C 65.232 0.103 1 274 29 35 ILE HA H 3.963 0.030 1 275 29 35 ILE C C 179.709 0.052 1 276 29 35 ILE CB C 37.351 0.161 1 277 29 35 ILE HB H 2.037 0.047 1 278 29 35 ILE CG2 C 17.303 0.186 1 279 29 35 ILE CG1 C 29.500 0.419 1 280 29 35 ILE HG12 H 1.179 0.021 1 281 29 35 ILE HG13 H 1.585 0.021 1 282 29 35 ILE CD1 C 12.866 0.227 1 283 29 35 ILE HD1 H 0.593 0.022 1 284 30 36 PHE H H 7.754 0.041 1 285 30 36 PHE N N 124.037 0.245 1 286 30 36 PHE CA C 59.084 0.042 1 287 30 36 PHE HA H 4.788 0.050 1 288 30 36 PHE C C 178.564 0.004 1 289 30 36 PHE CB C 40.318 0.400 1 290 30 36 PHE HB2 H 2.718 0.048 1 291 30 36 PHE HB3 H 2.380 0.032 1 292 30 36 PHE HD1 H 7.250 0.002 1 293 31 37 LEU H H 9.006 0.038 1 294 31 37 LEU N N 120.953 0.179 1 295 31 37 LEU CA C 58.832 0.141 1 296 31 37 LEU HA H 3.701 0.074 1 297 31 37 LEU C C 179.645 0.021 1 298 31 37 LEU CB C 41.940 0.161 1 299 31 37 LEU HB2 H 2.110 0.027 1 300 31 37 LEU HB3 H 1.693 0.051 1 301 31 37 LEU CG C 26.035 0.230 1 302 31 37 LEU HD1 H 1.134 0.026 1 303 31 37 LEU CD2 C 26.111 0.000 1 304 31 37 LEU HG H 1.074 0.031 1 305 32 38 GLY H H 8.128 0.028 1 306 32 38 GLY N N 107.076 0.121 1 307 32 38 GLY CA C 47.435 0.107 1 308 32 38 GLY HA3 H 4.014 0.023 1 309 32 38 GLY C C 178.324 0.000 1 310 33 39 GLU H H 8.225 0.019 1 311 33 39 GLU N N 125.602 0.068 1 312 33 39 GLU CA C 59.570 0.059 1 313 33 39 GLU HA H 3.899 0.056 1 314 33 39 GLU C C 178.711 0.071 1 315 33 39 GLU CB C 28.972 0.079 1 316 33 39 GLU HB2 H 1.763 0.030 1 317 33 39 GLU HB3 H 2.420 0.029 1 318 33 39 GLU CG C 36.831 0.124 1 319 33 39 GLU HG2 H 2.188 0.032 1 320 33 39 GLU HG3 H 2.513 0.034 1 321 34 40 MET H H 8.188 0.016 1 322 34 40 MET N N 117.582 0.171 1 323 34 40 MET CA C 61.093 0.156 1 324 34 40 MET HA H 3.814 0.035 1 325 34 40 MET C C 179.020 0.086 1 326 34 40 MET CB C 33.674 0.235 1 327 34 40 MET HB3 H 1.771 0.046 1 328 34 40 MET HG2 H 2.230 0.330 1 329 35 41 ASP H H 8.681 0.028 1 330 35 41 ASP N N 119.300 0.107 1 331 35 41 ASP CA C 58.280 0.032 1 332 35 41 ASP HA H 4.463 0.052 1 333 35 41 ASP C C 180.937 0.058 1 334 35 41 ASP CB C 40.537 0.117 1 335 35 41 ASP HB2 H 3.047 0.015 1 336 35 41 ASP HB3 H 2.779 0.044 1 337 36 42 SER H H 8.016 0.020 1 338 36 42 SER N N 119.158 0.137 1 339 36 42 SER CA C 62.026 0.121 1 340 36 42 SER HA H 4.536 0.061 1 341 36 42 SER C C 177.772 0.056 1 342 36 42 SER CB C 62.478 0.165 1 343 36 42 SER HB2 H 4.246 0.068 1 344 36 42 SER HB3 H 4.349 0.025 1 345 37 43 TYR H H 8.844 0.031 1 346 37 43 TYR N N 124.421 0.304 1 347 37 43 TYR CA C 57.718 0.155 1 348 37 43 TYR HA H 5.681 0.049 1 349 37 43 TYR C C 180.118 0.035 1 350 37 43 TYR CB C 38.297 0.289 1 351 37 43 TYR HB2 H 3.342 0.034 1 352 37 43 TYR HB3 H 3.475 0.071 1 353 37 43 TYR HD1 H 7.123 0.023 1 354 38 44 ILE H H 8.850 0.017 1 355 38 44 ILE N N 119.182 0.168 1 356 38 44 ILE CA C 66.676 0.302 1 357 38 44 ILE HA H 4.220 0.038 1 358 38 44 ILE C C 180.154 0.135 1 359 38 44 ILE CB C 41.301 0.616 1 360 38 44 ILE HB H 2.404 0.028 1 361 38 44 ILE CG2 C 17.399 0.047 1 362 38 44 ILE HG2 H 1.766 0.022 1 363 38 44 ILE CG1 C 37.375 0.147 1 364 38 44 ILE HG12 H 2.691 0.043 1 365 38 44 ILE HG13 H 1.030 0.036 1 366 38 44 ILE CD1 C 18.892 0.047 1 367 38 44 ILE HD1 H 1.457 0.037 1 368 39 45 GLY H H 8.456 0.038 1 369 39 45 GLY N N 108.362 0.140 1 370 39 45 GLY CA C 47.633 0.139 1 371 39 45 GLY HA2 H 4.250 0.038 1 372 39 45 GLY HA3 H 4.027 0.041 1 373 39 45 GLY C C 177.226 0.000 1 374 40 46 THR H H 8.584 0.044 1 375 40 46 THR N N 119.533 0.236 1 376 40 46 THR CA C 67.473 0.410 1 377 40 46 THR HA H 4.308 0.054 1 378 40 46 THR C C 177.018 0.042 1 379 40 46 THR CB C 70.687 0.367 1 380 40 46 THR HB H 4.208 0.032 1 381 40 46 THR CG2 C 21.267 0.401 1 382 40 46 THR HG2 H 0.615 0.027 1 383 41 47 LEU H H 8.944 0.055 1 384 41 47 LEU N N 121.763 0.150 1 385 41 47 LEU CA C 58.774 0.069 1 386 41 47 LEU HA H 4.238 0.026 1 387 41 47 LEU C C 178.619 0.080 1 388 41 47 LEU CB C 42.960 0.126 1 389 41 47 LEU HB2 H 2.176 0.015 1 390 41 47 LEU HB3 H 2.005 0.043 1 391 41 47 LEU CG C 25.635 0.087 1 392 41 47 LEU CD1 C 21.314 0.168 1 393 41 47 LEU HD1 H 0.546 0.040 1 394 41 47 LEU CD2 C 18.697 0.277 1 395 41 47 LEU HD2 H 1.488 0.018 1 396 41 47 LEU HG H 1.198 0.032 1 397 42 48 THR H H 7.808 0.038 1 398 42 48 THR N N 109.695 0.161 1 399 42 48 THR CA C 66.645 0.414 1 400 42 48 THR HA H 4.199 0.034 1 401 42 48 THR C C 176.073 0.153 1 402 42 48 THR CB C 69.636 0.146 1 403 42 48 THR HB H 4.400 0.066 1 404 42 48 THR CG2 C 22.293 0.181 1 405 42 48 THR HG2 H 1.527 0.038 1 406 43 49 GLU H H 7.516 0.026 1 407 43 49 GLU N N 120.616 0.133 1 408 43 49 GLU CA C 57.880 0.098 1 409 43 49 GLU HA H 4.490 0.032 1 410 43 49 GLU C C 178.244 0.085 1 411 43 49 GLU CB C 31.303 0.032 1 412 43 49 GLU HB3 H 2.389 0.057 1 413 43 49 GLU CG C 36.300 0.041 1 414 43 49 GLU HG2 H 2.554 0.036 1 415 44 50 LEU H H 7.649 0.023 1 416 44 50 LEU N N 120.438 0.232 1 417 44 50 LEU CA C 55.293 0.112 1 418 44 50 LEU HA H 4.651 0.047 1 419 44 50 LEU C C 176.154 0.098 1 420 44 50 LEU CB C 44.740 0.145 1 421 44 50 LEU HB2 H 2.141 0.024 1 422 44 50 LEU HB3 H 2.033 0.035 1 423 44 50 LEU CG C 28.076 0.098 1 424 44 50 LEU CD1 C 22.448 0.189 1 425 44 50 LEU HD1 H 0.978 0.055 1 426 44 50 LEU CD2 C 27.886 0.373 1 427 44 50 LEU HD2 H 0.713 0.014 1 428 44 50 LEU HG H 1.255 0.047 1 429 45 51 GLN H H 8.755 0.021 1 430 45 51 GLN N N 116.581 0.122 1 431 45 51 GLN CA C 54.223 0.073 1 432 45 51 GLN HA H 4.969 0.041 1 433 45 51 GLN C C 178.073 0.009 1 434 45 51 GLN CB C 33.441 0.159 1 435 45 51 GLN HB2 H 2.170 0.015 1 436 45 51 GLN HB3 H 2.491 0.050 1 437 45 51 GLN CG C 29.558 0.106 1 438 45 51 GLN HG2 H 1.160 0.012 1 439 45 51 GLN HG3 H 1.358 0.037 1 440 46 52 GLY H H 9.107 0.017 1 441 46 52 GLY N N 109.874 0.163 1 442 46 52 GLY CA C 47.570 1.324 1 443 46 52 GLY HA2 H 4.162 0.029 1 444 46 52 GLY HA3 H 4.277 0.011 1 445 46 52 GLY C C 177.195 0.000 1 446 47 53 SER H H 9.312 0.009 1 447 47 53 SER N N 123.557 0.291 1 448 47 53 SER CA C 61.991 0.143 1 449 47 53 SER HA H 4.775 0.026 1 450 47 53 SER C C 178.032 0.038 1 451 47 53 SER HB2 H 4.395 0.013 1 452 47 53 SER HB3 H 4.318 0.048 1 453 48 54 GLU H H 8.868 0.032 1 454 48 54 GLU N N 122.896 0.132 1 455 48 54 GLU CA C 60.176 0.188 1 456 48 54 GLU HA H 4.289 0.037 1 457 48 54 GLU C C 180.136 0.114 1 458 48 54 GLU CB C 29.675 0.183 1 459 48 54 GLU HB3 H 2.368 0.045 1 460 48 54 GLU CG C 37.286 0.117 1 461 48 54 GLU HG2 H 2.669 0.045 1 462 48 54 GLU HG3 H 2.517 0.020 1 463 49 55 GLN H H 7.498 0.051 1 464 49 55 GLN N N 121.497 0.246 1 465 49 55 GLN CA C 59.152 0.291 1 466 49 55 GLN HA H 3.958 0.038 1 467 49 55 GLN C C 177.783 0.124 1 468 49 55 GLN CB C 28.965 0.138 1 469 49 55 GLN HB2 H 2.475 0.067 1 470 49 55 GLN CG C 34.646 0.024 1 471 49 55 GLN HG2 H 1.462 0.035 1 472 50 56 LEU H H 7.727 0.038 1 473 50 56 LEU N N 120.709 0.155 1 474 50 56 LEU CA C 58.413 0.244 1 475 50 56 LEU HA H 4.366 0.049 1 476 50 56 LEU C C 179.774 0.094 1 477 50 56 LEU CB C 42.479 0.183 1 478 50 56 LEU HB2 H 1.977 0.039 1 479 50 56 LEU HB3 H 1.866 0.023 1 480 50 56 LEU CG C 30.819 0.054 1 481 50 56 LEU CD1 C 24.949 0.216 1 482 50 56 LEU HD1 H 1.123 0.037 1 483 50 56 LEU CD2 C 25.542 0.375 1 484 51 57 LEU H H 8.294 0.024 1 485 51 57 LEU N N 120.250 0.221 1 486 51 57 LEU CA C 58.732 0.130 1 487 51 57 LEU HA H 4.341 0.059 1 488 51 57 LEU C C 180.511 0.031 1 489 51 57 LEU CB C 42.632 0.334 1 490 51 57 LEU HB2 H 1.999 0.041 1 491 51 57 LEU HB3 H 3.072 0.053 1 492 51 57 LEU CG C 28.012 0.130 1 493 51 57 LEU CD1 C 25.183 0.253 1 494 51 57 LEU HD1 H 1.153 0.025 1 495 51 57 LEU HG H 2.594 0.026 1 496 52 58 TYR H H 8.102 0.038 1 497 52 58 TYR N N 122.024 0.169 1 498 52 58 TYR CA C 62.237 0.171 1 499 52 58 TYR HA H 4.510 0.038 1 500 52 58 TYR C C 178.017 0.073 1 501 52 58 TYR CB C 39.932 0.361 1 502 52 58 TYR HB2 H 3.431 0.036 1 503 52 58 TYR HB3 H 3.300 0.033 1 504 52 58 TYR HD1 H 7.206 0.009 1 505 53 59 LEU H H 8.763 0.036 1 506 53 59 LEU N N 120.649 0.165 1 507 53 59 LEU CA C 58.603 0.124 1 508 53 59 LEU HA H 4.000 0.031 1 509 53 59 LEU C C 180.921 0.012 1 510 53 59 LEU CB C 42.434 0.071 1 511 53 59 LEU HB2 H 1.390 0.012 1 512 53 59 LEU CD1 C 18.673 0.111 1 513 53 59 LEU HD1 H 1.850 0.033 1 514 53 59 LEU CD2 C 25.148 0.209 1 515 53 59 LEU HD2 H 1.123 0.023 1 516 54 60 LYS H H 8.310 0.027 1 517 54 60 LYS N N 120.514 0.184 1 518 54 60 LYS CA C 61.246 0.204 1 519 54 60 LYS HA H 3.835 0.052 1 520 54 60 LYS C C 179.611 0.053 1 521 54 60 LYS CB C 32.911 0.267 1 522 54 60 LYS HB2 H 1.926 0.066 1 523 54 60 LYS HB3 H 2.160 0.031 1 524 54 60 LYS CG C 25.431 0.432 1 525 54 60 LYS HG2 H 1.005 0.046 1 526 54 60 LYS HG3 H 1.381 0.027 1 527 54 60 LYS CD C 30.214 0.331 1 528 54 60 LYS HD2 H 1.682 0.053 1 529 54 60 LYS HD3 H 2.243 0.020 1 530 54 60 LYS CE C 42.730 0.199 1 531 54 60 LYS HE2 H 3.150 0.015 1 532 54 60 LYS HE3 H 3.050 0.043 1 533 55 61 GLU H H 8.046 0.021 1 534 55 61 GLU N N 122.657 0.208 1 535 55 61 GLU CA C 59.868 0.236 1 536 55 61 GLU HA H 4.286 0.039 1 537 55 61 GLU C C 181.425 0.053 1 538 55 61 GLU CB C 30.349 0.349 1 539 55 61 GLU HB2 H 1.788 0.011 1 540 55 61 GLU HB3 H 2.325 0.026 1 541 55 61 GLU CG C 36.655 0.416 1 542 55 61 GLU HG2 H 2.554 0.034 1 543 55 61 GLU HG3 H 2.343 0.033 1 544 56 62 ILE H H 8.934 0.041 1 545 56 62 ILE N N 116.511 0.138 1 546 56 62 ILE CA C 65.114 0.147 1 547 56 62 ILE HA H 3.941 0.020 1 548 56 62 ILE C C 179.480 0.029 1 549 56 62 ILE CB C 38.100 1.497 1 550 56 62 ILE HB H 1.086 0.023 1 551 56 62 ILE CG2 C 19.301 0.247 1 552 56 62 ILE HG2 H 0.167 0.022 1 553 56 62 ILE CG1 C 25.912 0.191 1 554 56 62 ILE HG12 H 1.309 0.031 1 555 56 62 ILE HG13 H 1.507 0.039 1 556 56 62 ILE CD1 C 15.819 0.190 1 557 56 62 ILE HD1 H 0.738 0.033 1 558 57 63 SER H H 8.230 0.021 1 559 57 63 SER N N 120.720 0.164 1 560 57 63 SER CA C 63.603 0.289 1 561 57 63 SER HA H 4.167 0.030 1 562 57 63 SER C C 175.923 0.047 1 563 57 63 SER CB C 68.080 0.166 1 564 57 63 SER HB2 H 4.207 0.011 1 565 58 64 HIS H H 7.769 0.051 1 566 58 64 HIS N N 120.177 0.142 1 567 58 64 HIS CA C 60.087 0.178 1 568 58 64 HIS HA H 4.251 0.015 1 569 58 64 HIS C C 177.799 0.035 1 570 58 64 HIS CB C 29.787 0.280 1 571 58 64 HIS HB2 H 3.508 0.020 1 572 58 64 HIS HD2 H 6.956 0.078 1 573 59 65 ALA H H 7.775 0.024 1 574 59 65 ALA N N 122.179 0.108 1 575 59 65 ALA CA C 55.709 0.079 1 576 59 65 ALA HA H 4.272 0.022 1 577 59 65 ALA C C 182.145 0.069 1 578 59 65 ALA CB C 18.802 0.106 1 579 59 65 ALA HB H 1.784 0.036 1 580 60 66 LEU H H 9.146 0.036 1 581 60 66 LEU N N 120.196 0.116 1 582 60 66 LEU CA C 57.034 0.181 1 583 60 66 LEU HA H 4.762 0.037 1 584 60 66 LEU C C 179.714 0.097 1 585 60 66 LEU CB C 44.559 0.169 1 586 60 66 LEU HB2 H 2.172 0.032 1 587 60 66 LEU HB3 H 2.020 0.026 1 588 60 66 LEU CG C 26.011 0.046 1 589 60 66 LEU CD1 C 24.387 0.284 1 590 60 66 LEU HD1 H 1.369 0.017 1 591 60 66 LEU CD2 C 26.124 0.160 1 592 60 66 LEU HD2 H 0.909 0.011 1 593 60 66 LEU HG H 1.475 0.053 1 594 61 67 LYS H H 7.831 0.038 1 595 61 67 LYS N N 117.745 0.102 1 596 61 67 LYS CA C 59.932 0.146 1 597 61 67 LYS HA H 4.321 0.027 1 598 61 67 LYS C C 177.329 0.027 1 599 61 67 LYS CB C 31.283 0.554 1 600 61 67 LYS HB2 H 1.933 0.048 1 601 61 67 LYS HB3 H 1.754 0.036 1 602 61 67 LYS CG C 24.066 0.035 1 603 61 67 LYS HG3 H 1.131 0.036 1 604 61 67 LYS CD C 24.485 0.073 1 605 61 67 LYS CE C 42.367 0.201 1 606 61 67 LYS HE2 H 3.022 0.033 1 607 61 67 LYS HE3 H 3.106 0.037 1 608 62 68 SER H H 7.362 0.051 1 609 62 68 SER N N 111.109 0.141 1 610 62 68 SER CA C 60.034 0.125 1 611 62 68 SER HA H 4.831 0.065 1 612 62 68 SER C C 177.322 0.146 1 613 62 68 SER CB C 63.118 0.212 1 614 62 68 SER HB2 H 3.555 0.076 1 615 62 68 SER HB3 H 4.090 0.022 1 616 63 69 SER H H 8.521 0.028 1 617 63 69 SER N N 119.693 0.127 1 618 63 69 SER CA C 61.492 0.183 1 619 63 69 SER HA H 4.311 0.018 1 620 63 69 SER C C 177.339 0.097 1 621 63 69 SER CB C 63.445 0.144 1 622 63 69 SER HB2 H 4.252 0.033 1 623 63 69 SER HB3 H 4.058 0.024 1 624 64 70 ALA H H 9.140 0.031 1 625 64 70 ALA N N 123.310 0.095 1 626 64 70 ALA CA C 55.777 0.102 1 627 64 70 ALA HA H 4.303 0.016 1 628 64 70 ALA C C 180.572 0.050 1 629 64 70 ALA CB C 17.726 0.124 1 630 64 70 ALA HB H 1.895 0.032 1 631 65 71 ALA H H 6.928 0.043 1 632 65 71 ALA N N 119.243 0.102 1 633 65 71 ALA CA C 55.136 0.037 1 634 65 71 ALA HA H 4.377 0.028 1 635 65 71 ALA C C 181.815 0.036 1 636 65 71 ALA CB C 18.859 0.103 1 637 65 71 ALA HB H 1.814 0.016 1 638 66 72 SER H H 7.742 0.019 1 639 66 72 SER N N 115.157 0.122 1 640 66 72 SER CA C 61.758 0.180 1 641 66 72 SER HA H 4.183 0.019 1 642 66 72 SER C C 175.285 0.074 1 643 66 72 SER CB C 62.855 0.111 1 644 66 72 SER HB2 H 3.483 0.041 1 645 67 73 PHE H H 6.990 0.035 1 646 67 73 PHE N N 113.622 0.135 1 647 67 73 PHE CA C 57.060 0.465 1 648 67 73 PHE HA H 4.707 0.065 1 649 67 73 PHE C C 177.100 0.019 1 650 67 73 PHE CB C 39.575 0.199 1 651 67 73 PHE HB2 H 3.249 0.021 1 652 67 73 PHE HB3 H 1.884 0.030 1 653 67 73 PHE HD2 H 7.086 0.014 1 654 68 74 GLY H H 7.730 0.033 1 655 68 74 GLY N N 108.123 0.138 1 656 68 74 GLY CA C 47.240 0.255 1 657 68 74 GLY HA2 H 4.281 0.046 1 658 68 74 GLY HA3 H 4.143 0.046 1 659 68 74 GLY C C 174.366 0.000 1 660 69 75 ALA H H 8.424 0.026 1 661 69 75 ALA N N 128.549 0.088 1 662 69 75 ALA CA C 50.384 0.127 1 663 69 75 ALA HA H 5.662 0.695 1 664 69 75 ALA C C 178.945 0.018 1 665 69 75 ALA CB C 16.582 0.105 1 666 69 75 ALA HB H 2.348 0.799 1 667 70 76 ASP H H 7.679 0.024 1 668 70 76 ASP N N 123.535 0.109 1 669 70 76 ASP CA C 58.322 0.447 1 670 70 76 ASP HA H 4.401 0.023 1 671 70 76 ASP C C 179.551 0.147 1 672 70 76 ASP CB C 40.644 0.457 1 673 70 76 ASP HB2 H 2.782 0.033 1 674 70 76 ASP HB3 H 3.438 0.021 1 675 71 77 ARG H H 8.490 0.032 1 676 71 77 ARG N N 124.166 0.122 1 677 71 77 ARG CA C 60.201 0.226 1 678 71 77 ARG HA H 4.274 0.031 1 679 71 77 ARG C C 180.003 0.017 1 680 71 77 ARG CB C 30.198 0.163 1 681 71 77 ARG HB2 H 1.846 0.035 1 682 71 77 ARG HB3 H 2.084 0.028 1 683 71 77 ARG CG C 26.284 0.183 1 684 71 77 ARG HG2 H 1.734 0.030 1 685 71 77 ARG HG3 H 1.088 0.036 1 686 71 77 ARG CD C 42.897 0.425 1 687 71 77 ARG HD2 H 3.203 0.032 1 688 72 78 LEU H H 9.062 0.037 1 689 72 78 LEU N N 122.965 0.249 1 690 72 78 LEU CA C 58.495 0.396 1 691 72 78 LEU HA H 4.278 0.051 1 692 72 78 LEU C C 178.176 0.000 1 693 72 78 LEU CB C 42.236 0.167 1 694 72 78 LEU HB2 H 3.136 0.034 1 695 72 78 LEU HB3 H 1.812 0.042 1 696 72 78 LEU CG C 32.431 0.000 1 697 72 78 LEU CD1 C 28.391 0.205 1 698 72 78 LEU HD1 H 1.126 0.026 1 699 72 78 LEU CD2 C 27.245 0.179 1 700 72 78 LEU HD2 H 0.770 0.073 1 701 72 78 LEU HG H 1.227 0.064 1 702 73 79 CYS H H 9.114 0.051 1 703 73 79 CYS N N 120.054 0.200 1 704 73 79 CYS CA C 64.399 0.215 1 705 73 79 CYS HA H 3.846 0.056 1 706 73 79 CYS C C 176.800 0.004 1 707 73 79 CYS CB C 27.418 0.152 1 708 73 79 CYS HB2 H 3.276 0.046 1 709 73 79 CYS HB3 H 2.952 0.039 1 710 74 80 GLU H H 8.527 0.042 1 711 74 80 GLU N N 117.730 0.087 1 712 74 80 GLU CA C 60.178 0.223 1 713 74 80 GLU HA H 4.177 0.037 1 714 74 80 GLU C C 180.413 0.087 1 715 74 80 GLU CB C 29.953 0.197 1 716 74 80 GLU HB3 H 2.408 0.024 1 717 74 80 GLU CG C 37.011 0.423 1 718 74 80 GLU HG2 H 2.530 0.011 1 719 74 80 GLU HG3 H 2.685 0.018 1 720 75 81 ARG H H 7.991 0.043 1 721 75 81 ARG N N 121.251 0.132 1 722 75 81 ARG CA C 57.849 0.214 1 723 75 81 ARG HA H 4.406 0.054 1 724 75 81 ARG C C 178.740 0.046 1 725 75 81 ARG CB C 29.964 0.133 1 726 75 81 ARG HB2 H 1.905 0.024 1 727 75 81 ARG HB3 H 2.167 0.010 1 728 75 81 ARG CG C 25.470 0.126 1 729 75 81 ARG HG2 H 1.518 0.007 1 730 75 81 ARG HG3 H 2.484 0.011 1 731 75 81 ARG CD C 42.431 0.331 1 732 75 81 ARG HD2 H 3.511 0.027 1 733 75 81 ARG HD3 H 3.147 0.033 1 734 76 82 ALA H H 8.856 0.039 1 735 76 82 ALA N N 123.382 0.332 1 736 76 82 ALA CA C 56.099 0.325 1 737 76 82 ALA HA H 4.233 0.025 1 738 76 82 ALA C C 180.312 0.160 1 739 76 82 ALA CB C 18.618 0.227 1 740 76 82 ALA HB H 1.766 0.136 1 741 77 83 ILE H H 8.983 0.039 1 742 77 83 ILE N N 118.802 0.110 1 743 77 83 ILE CA C 66.260 0.099 1 744 77 83 ILE HA H 3.743 0.076 1 745 77 83 ILE C C 179.512 0.024 1 746 77 83 ILE CB C 38.853 0.225 1 747 77 83 ILE HB H 2.124 0.060 1 748 77 83 ILE CG2 C 18.058 0.289 1 749 77 83 ILE HG2 H 1.171 0.026 1 750 77 83 ILE HG12 H 1.061 0.045 1 751 77 83 ILE HG13 H 2.335 0.037 1 752 77 83 ILE CD1 C 15.951 0.143 1 753 77 83 ILE HD1 H 0.715 0.037 1 754 78 84 ALA H H 7.925 0.044 1 755 78 84 ALA N N 123.428 0.125 1 756 78 84 ALA CA C 55.531 0.342 1 757 78 84 ALA HA H 4.434 0.024 1 758 78 84 ALA C C 182.108 0.046 1 759 78 84 ALA CB C 18.632 0.050 1 760 78 84 ALA HB H 1.805 0.042 1 761 79 85 ILE H H 8.870 0.027 1 762 79 85 ILE N N 121.564 0.249 1 763 79 85 ILE CA C 66.137 0.099 1 764 79 85 ILE HA H 3.809 0.071 1 765 79 85 ILE C C 178.159 0.017 1 766 79 85 ILE CB C 37.514 0.142 1 767 79 85 ILE HB H 2.058 0.028 1 768 79 85 ILE CG2 C 18.562 0.177 1 769 79 85 ILE HG2 H 1.024 0.017 1 770 79 85 ILE CG1 C 29.713 0.182 1 771 79 85 ILE HG12 H 1.180 0.036 1 772 79 85 ILE HG13 H 1.577 0.083 1 773 79 85 ILE CD1 C 13.737 0.459 1 774 80 86 ASP H H 8.836 0.028 1 775 80 86 ASP N N 122.207 0.162 1 776 80 86 ASP CA C 57.922 0.046 1 777 80 86 ASP HA H 4.866 0.100 1 778 80 86 ASP C C 178.933 0.031 1 779 80 86 ASP CB C 43.345 0.173 1 780 80 86 ASP HB2 H 2.994 0.055 1 781 80 86 ASP HB3 H 2.721 0.022 1 782 81 87 LYS H H 8.459 0.029 1 783 81 87 LYS N N 119.097 0.186 1 784 81 87 LYS CA C 60.185 0.180 1 785 81 87 LYS HA H 4.228 0.032 1 786 81 87 LYS C C 181.067 0.074 1 787 81 87 LYS CB C 32.644 0.394 1 788 81 87 LYS HB2 H 2.130 0.043 1 789 81 87 LYS CG C 25.441 0.157 1 790 81 87 LYS HG2 H 1.119 0.030 1 791 81 87 LYS HG3 H 2.176 0.029 1 792 81 87 LYS CD C 30.448 0.424 1 793 81 87 LYS HD2 H 1.927 0.033 1 794 81 87 LYS HD3 H 1.710 0.022 1 795 81 87 LYS CE C 42.553 0.247 1 796 81 87 LYS HE2 H 3.042 0.022 1 797 81 87 LYS HE3 H 3.191 0.031 1 798 82 88 LYS H H 8.048 0.038 1 799 82 88 LYS N N 121.295 0.237 1 800 82 88 LYS CA C 60.105 0.137 1 801 82 88 LYS HA H 4.293 0.020 1 802 82 88 LYS C C 180.099 0.019 1 803 82 88 LYS CB C 34.262 0.378 1 804 82 88 LYS HB2 H 1.801 0.044 1 805 82 88 LYS HB3 H 2.233 0.042 1 806 82 88 LYS CG C 26.781 0.054 1 807 82 88 LYS CD C 30.764 0.148 1 808 82 88 LYS HD2 H 2.193 0.018 1 809 82 88 LYS HD3 H 2.573 0.024 1 810 82 88 LYS CE C 42.538 0.423 1 811 82 88 LYS HE2 H 3.139 0.012 1 812 83 89 ALA H H 9.326 0.036 1 813 83 89 ALA N N 124.069 0.233 1 814 83 89 ALA CA C 55.807 0.221 1 815 83 89 ALA HA H 4.285 0.012 1 816 83 89 ALA C C 182.896 0.099 1 817 83 89 ALA CB C 18.950 0.092 1 818 83 89 ALA HB H 1.793 0.035 1 819 84 90 LYS H H 8.523 0.015 1 820 84 90 LYS N N 121.584 0.119 1 821 84 90 LYS CA C 59.323 0.137 1 822 84 90 LYS HA H 4.266 0.030 1 823 84 90 LYS C C 178.363 0.029 1 824 84 90 LYS CB C 32.710 0.176 1 825 84 90 LYS HB3 H 2.197 0.031 1 826 84 90 LYS CG C 26.660 0.424 1 827 84 90 LYS HG2 H 1.627 0.006 1 828 84 90 LYS HG3 H 1.885 0.033 1 829 84 90 LYS CD C 28.995 0.025 1 830 84 90 LYS HD2 H 1.922 0.048 1 831 84 90 LYS HD3 H 1.246 0.040 1 832 84 90 LYS CE C 42.953 0.968 1 833 84 90 LYS HE2 H 3.205 0.036 1 834 84 90 LYS HE3 H 3.129 0.033 1 835 85 91 ALA H H 7.577 0.035 1 836 85 91 ALA N N 120.378 0.149 1 837 85 91 ALA CA C 52.070 0.120 1 838 85 91 ALA HA H 4.670 0.031 1 839 85 91 ALA C C 177.392 0.015 1 840 85 91 ALA CB C 18.819 0.130 1 841 85 91 ALA HB H 1.609 0.058 1 842 86 92 ASN H H 8.317 0.041 1 843 86 92 ASN N N 116.621 0.092 1 844 86 92 ASN CA C 54.748 0.102 1 845 86 92 ASN HA H 4.781 0.041 1 846 86 92 ASN C C 176.618 0.014 1 847 86 92 ASN CB C 37.426 0.135 1 848 86 92 ASN HB2 H 3.388 0.046 1 849 86 92 ASN HB3 H 3.054 0.021 1 850 86 92 ASN CG C 178.015 0.000 1 851 87 93 GLN H H 8.572 0.048 1 852 87 93 GLN N N 115.106 0.114 1 853 87 93 GLN CA C 55.287 0.149 1 854 87 93 GLN HA H 4.738 0.025 1 855 87 93 GLN C C 176.892 0.065 1 856 87 93 GLN CB C 29.993 0.097 1 857 87 93 GLN HB2 H 1.897 0.033 1 858 87 93 GLN HB3 H 2.538 0.038 1 859 87 93 GLN CG C 33.962 0.110 1 860 87 93 GLN HG2 H 3.654 0.077 1 861 87 93 GLN HG3 H 3.414 0.044 1 862 88 94 LEU H H 7.994 0.021 1 863 88 94 LEU N N 122.146 0.238 1 864 88 94 LEU CA C 54.902 0.054 1 865 88 94 LEU HA H 4.742 0.037 1 866 88 94 LEU C C 177.005 0.049 1 867 88 94 LEU CB C 42.679 0.189 1 868 88 94 LEU HB2 H 1.872 0.034 1 869 88 94 LEU HB3 H 1.654 0.046 1 870 88 94 LEU CG C 32.719 0.096 1 871 88 94 LEU CD1 C 25.394 0.186 1 872 88 94 LEU HD1 H 1.064 0.034 1 873 88 94 LEU CD2 C 24.338 0.285 1 874 88 94 LEU HD2 H 1.116 0.008 1 875 88 94 LEU HG H 2.215 0.040 1 876 89 95 GLN H H 9.249 0.026 1 877 89 95 GLN N N 123.906 0.180 1 878 89 95 GLN CA C 55.192 0.122 1 879 89 95 GLN HA H 4.735 0.051 1 880 89 95 GLN C C 177.777 0.049 1 881 89 95 GLN CB C 30.716 0.141 1 882 89 95 GLN HB2 H 2.441 0.031 1 883 89 95 GLN HB3 H 2.197 0.031 1 884 89 95 GLN CG C 34.553 0.211 1 885 89 95 GLN HG2 H 3.261 0.080 1 886 89 95 GLN HG3 H 1.679 0.063 1 887 90 96 GLU H H 9.352 0.025 1 888 90 96 GLU N N 124.249 0.115 1 889 90 96 GLU CA C 58.983 0.073 1 890 90 96 GLU HA H 4.312 0.044 1 891 90 96 GLU C C 178.072 0.089 1 892 90 96 GLU CB C 29.926 0.087 1 893 90 96 GLU HB3 H 2.322 0.041 1 894 90 96 GLU CG C 36.754 0.158 1 895 90 96 GLU HG2 H 2.452 0.031 1 896 91 97 GLN H H 8.954 0.053 1 897 91 97 GLN N N 117.830 0.185 1 898 91 97 GLN CA C 57.373 0.078 1 899 91 97 GLN HA H 4.495 0.058 1 900 91 97 GLN C C 177.562 0.071 1 901 91 97 GLN CB C 27.932 0.278 1 902 91 97 GLN HB2 H 2.085 0.026 1 903 91 97 GLN HB3 H 2.540 0.060 1 904 91 97 GLN CG C 34.507 0.115 1 905 91 97 GLN HG3 H 2.515 0.055 1 906 92 98 GLY H H 8.230 0.030 1 907 92 98 GLY N N 108.316 0.158 1 908 92 98 GLY CA C 45.727 0.071 1 909 92 98 GLY HA2 H 4.402 0.005 1 910 92 98 GLY HA3 H 4.357 0.031 1 911 92 98 GLY C C 175.728 0.000 1 912 93 99 MET H H 8.873 0.016 1 913 93 99 MET N N 119.753 0.163 1 914 93 99 MET CA C 56.453 0.065 1 915 93 99 MET HA H 4.815 0.025 1 916 93 99 MET C C 179.060 0.696 1 917 93 99 MET CB C 32.643 0.150 1 918 93 99 MET HB2 H 2.781 0.042 1 919 93 99 MET HB3 H 2.215 0.035 1 920 93 99 MET CG C 32.694 0.280 1 921 93 99 MET HG2 H 2.446 0.033 1 922 93 99 MET HG3 H 1.350 0.025 1 923 94 100 GLU H H 9.139 0.031 1 924 94 100 GLU N N 120.165 0.142 1 925 94 100 GLU CA C 62.047 0.262 1 926 94 100 GLU HA H 4.295 0.024 1 927 94 100 GLU C C 179.723 0.093 1 928 94 100 GLU CB C 29.002 0.103 1 929 94 100 GLU HB2 H 2.053 0.036 1 930 94 100 GLU HB3 H 1.307 0.026 1 931 94 100 GLU CG C 37.451 0.187 1 932 94 100 GLU HG2 H 2.629 0.028 1 933 95 101 THR H H 8.704 0.018 1 934 95 101 THR N N 116.422 0.179 1 935 95 101 THR CA C 68.577 0.094 1 936 95 101 THR HA H 4.172 0.049 1 937 95 101 THR C C 177.079 0.022 1 938 95 101 THR CB C 68.985 0.067 1 939 95 101 THR HB H 4.010 0.046 1 940 95 101 THR CG2 C 23.184 0.210 1 941 95 101 THR HG2 H 1.209 0.035 1 942 96 102 SER H H 8.447 0.023 1 943 96 102 SER N N 118.733 0.404 1 944 96 102 SER CA C 62.283 0.158 1 945 96 102 SER HA H 4.328 0.028 1 946 96 102 SER C C 178.899 0.066 1 947 96 102 SER HB2 H 4.229 0.013 1 948 97 103 GLU H H 8.616 0.038 1 949 97 103 GLU N N 123.473 0.114 1 950 97 103 GLU CA C 59.690 0.070 1 951 97 103 GLU HA H 4.373 0.015 1 952 97 103 GLU C C 180.623 0.077 1 953 97 103 GLU CB C 30.316 0.352 1 954 97 103 GLU HB2 H 2.104 0.045 1 955 97 103 GLU HB3 H 2.376 0.034 1 956 97 103 GLU CG C 37.244 0.219 1 957 97 103 GLU HG2 H 2.684 0.013 1 958 98 104 MET H H 8.746 0.049 1 959 98 104 MET N N 121.362 0.200 1 960 98 104 MET CA C 57.676 0.249 1 961 98 104 MET HA H 4.557 0.065 1 962 98 104 MET C C 178.638 0.098 1 963 98 104 MET CB C 32.552 0.096 1 964 98 104 MET HB2 H 2.433 0.052 1 965 98 104 MET HB3 H 2.570 0.052 1 966 98 104 MET CG C 33.092 0.000 1 967 98 104 MET HG2 H 3.017 0.055 1 968 99 105 LEU H H 9.010 0.028 1 969 99 105 LEU N N 121.710 0.190 1 970 99 105 LEU CA C 59.169 0.004 1 971 99 105 LEU HA H 4.260 0.020 1 972 99 105 LEU C C 179.646 0.096 1 973 99 105 LEU CB C 43.214 0.872 1 974 99 105 LEU HB2 H 2.029 0.055 1 975 99 105 LEU CD1 C 25.168 0.057 1 976 99 105 LEU HD1 H 1.138 0.037 1 977 99 105 LEU CD2 C 25.911 0.091 1 978 99 105 LEU HD2 H 1.116 0.008 1 979 100 106 ALA H H 8.208 0.024 1 980 100 106 ALA N N 121.670 0.245 1 981 100 106 ALA CA C 56.029 0.174 1 982 100 106 ALA HA H 4.407 0.044 1 983 100 106 ALA C C 181.454 0.076 1 984 100 106 ALA CB C 18.429 0.333 1 985 100 106 ALA HB H 1.832 0.060 1 986 101 107 LEU H H 8.147 0.026 1 987 101 107 LEU N N 119.998 0.127 1 988 101 107 LEU CA C 56.563 0.587 1 989 101 107 LEU HA H 4.553 0.047 1 990 101 107 LEU C C 181.879 0.109 1 991 101 107 LEU CB C 42.935 0.126 1 992 101 107 LEU HB2 H 1.981 0.054 1 993 101 107 LEU CD1 C 26.232 0.249 1 994 101 107 LEU HD1 H 1.378 0.025 1 995 101 107 LEU CD2 C 24.627 0.182 1 996 101 107 LEU HD2 H 1.166 0.022 1 997 101 107 LEU HG H 2.371 0.022 1 998 102 108 LEU H H 9.659 0.444 1 999 102 108 LEU N N 127.019 0.138 1 1000 102 108 LEU CA C 60.336 0.816 1 1001 102 108 LEU HA H 4.012 0.069 1 1002 102 108 LEU C C 179.056 0.026 1 1003 102 108 LEU CB C 42.778 0.271 1 1004 102 108 LEU HB2 H 1.377 0.027 1 1005 102 108 LEU CG C 26.374 0.120 1 1006 102 108 LEU CD1 C 16.764 0.029 1 1007 102 108 LEU HD1 H 1.214 0.001 1 1008 102 108 LEU CD2 C 24.610 0.200 1 1009 102 108 LEU HG H 1.244 0.034 1 1010 103 109 HIS H H 8.417 0.017 1 1011 103 109 HIS N N 118.781 0.200 1 1012 103 109 HIS CA C 61.791 0.083 1 1013 103 109 HIS HA H 4.301 0.028 1 1014 103 109 HIS C C 179.141 0.140 1 1015 103 109 HIS CB C 30.475 0.492 1 1016 103 109 HIS HB2 H 3.530 0.027 1 1017 103 109 HIS HB3 H 3.224 0.055 1 1018 103 109 HIS HD1 H 12.952 0.054 1 1019 103 109 HIS HD2 H 7.100 0.097 1 1020 104 110 ILE H H 8.302 0.021 1 1021 104 110 ILE N N 117.793 0.182 1 1022 104 110 ILE CA C 65.634 0.222 1 1023 104 110 ILE HA H 4.178 0.055 1 1024 104 110 ILE C C 180.222 0.031 1 1025 104 110 ILE CB C 39.276 0.147 1 1026 104 110 ILE HB H 2.237 0.043 1 1027 104 110 ILE CG2 C 17.655 0.147 1 1028 104 110 ILE HG2 H 1.160 0.016 1 1029 104 110 ILE CG1 C 18.556 0.121 1 1030 104 110 ILE HG12 H 1.322 0.028 1 1031 104 110 ILE HG13 H 1.724 0.032 1 1032 104 110 ILE CD1 C 14.311 0.279 1 1033 104 110 ILE HD1 H 1.138 0.012 1 1034 105 111 THR H H 8.789 0.042 1 1035 105 111 THR N N 120.539 0.117 1 1036 105 111 THR CA C 67.940 0.115 1 1037 105 111 THR HA H 4.223 0.027 1 1038 105 111 THR C C 176.461 0.063 1 1039 105 111 THR CB C 69.497 0.139 1 1040 105 111 THR HB H 4.524 0.027 1 1041 105 111 THR CG2 C 23.801 0.314 1 1042 105 111 THR HG2 H 1.643 0.054 1 1043 106 112 ARG H H 9.220 0.024 1 1044 106 112 ARG N N 125.574 0.119 1 1045 106 112 ARG CA C 60.507 0.348 1 1046 106 112 ARG HA H 4.160 0.038 1 1047 106 112 ARG C C 179.168 0.094 1 1048 106 112 ARG CB C 31.307 0.504 1 1049 106 112 ARG HB2 H 2.733 0.034 1 1050 106 112 ARG HB3 H 2.639 0.021 1 1051 106 112 ARG CG C 31.064 0.158 1 1052 106 112 ARG HG2 H 2.165 0.084 1 1053 106 112 ARG HG3 H 1.108 0.035 1 1054 106 112 ARG CD C 42.983 0.219 1 1055 106 112 ARG HD2 H 3.141 0.050 1 1056 106 112 ARG HD3 H 3.503 0.022 1 1057 107 113 ASP H H 8.423 0.042 1 1058 107 113 ASP N N 119.425 0.235 1 1059 107 113 ASP CA C 58.171 0.032 1 1060 107 113 ASP HA H 4.619 0.054 1 1061 107 113 ASP C C 179.746 0.041 1 1062 107 113 ASP CB C 40.271 0.081 1 1063 107 113 ASP HB2 H 2.954 0.061 1 1064 108 114 ALA H H 8.072 0.046 1 1065 108 114 ALA N N 124.189 0.113 1 1066 108 114 ALA CA C 55.379 0.246 1 1067 108 114 ALA HA H 4.457 0.025 1 1068 108 114 ALA C C 181.637 0.068 1 1069 108 114 ALA CB C 18.838 0.084 1 1070 108 114 ALA HB H 1.822 0.066 1 1071 109 115 TYR H H 8.793 0.029 1 1072 109 115 TYR N N 118.786 0.159 1 1073 109 115 TYR CA C 63.364 0.076 1 1074 109 115 TYR HA H 4.209 0.016 1 1075 109 115 TYR C C 179.613 0.077 1 1076 109 115 TYR CB C 39.680 0.380 1 1077 109 115 TYR HB2 H 3.263 0.019 1 1078 109 115 TYR HB3 H 3.030 0.027 1 1079 109 115 TYR HD1 H 7.098 0.052 1 1080 110 116 ARG H H 9.080 0.028 1 1081 110 116 ARG N N 122.451 0.199 1 1082 110 116 ARG CA C 59.570 0.200 1 1083 110 116 ARG HA H 4.391 0.054 1 1084 110 116 ARG C C 178.997 0.110 1 1085 110 116 ARG CB C 30.225 0.335 1 1086 110 116 ARG HB2 H 2.527 0.000 1 1087 110 116 ARG HB3 H 2.231 0.026 1 1088 110 116 ARG CG C 34.562 0.169 1 1089 110 116 ARG HG2 H 2.609 0.042 1 1090 110 116 ARG HG3 H 0.421 0.027 1 1091 110 116 ARG CD C 44.071 0.152 1 1092 110 116 ARG HD2 H 3.408 0.032 1 1093 110 116 ARG HD3 H 3.187 0.022 1 1094 111 117 SER H H 7.920 0.026 1 1095 111 117 SER N N 113.446 0.173 1 1096 111 117 SER CA C 60.267 0.067 1 1097 111 117 SER HA H 4.674 0.023 1 1098 111 117 SER C C 175.735 0.000 1 1099 111 117 SER CB C 63.955 0.050 1 1100 111 117 SER HB2 H 4.244 0.022 1 1101 112 118 TRP H H 7.841 0.016 1 1102 112 118 TRP N N 123.833 0.113 1 1103 112 118 TRP CA C 60.626 0.139 1 1104 112 118 TRP HA H 4.447 0.023 1 1105 112 118 TRP C C 177.271 0.035 1 1106 112 118 TRP CB C 29.749 0.078 1 1107 112 118 TRP HB2 H 3.402 0.030 1 1108 112 118 TRP HB3 H 3.537 0.033 1 1109 112 118 TRP HD1 H 7.337 0.072 1 1110 112 118 TRP NE1 N 129.862 0.026 1 1111 112 118 TRP HE1 H 10.358 0.088 1 1112 113 119 THR H H 7.629 0.020 1 1113 113 119 THR N N 113.846 0.129 1 1114 113 119 THR CA C 61.586 0.051 1 1115 113 119 THR HA H 4.339 0.061 1 1116 113 119 THR C C 174.392 0.953 1 1117 113 119 THR CB C 70.932 0.090 1 1118 113 119 THR HB H 4.414 0.037 1 1119 113 119 THR CG2 C 22.253 0.212 1 1120 113 119 THR HG2 H 1.492 0.036 1 1121 114 120 ASN H H 7.501 0.823 1 1122 114 120 ASN N N 126.524 0.152 1 1123 114 120 ASN CA C 55.431 0.082 1 1124 114 120 ASN HA H 4.493 0.022 1 1125 114 120 ASN C C 180.636 0.000 1 1126 114 120 ASN CB C 40.530 0.106 1 1127 114 120 ASN HB3 H 2.898 0.016 1 1128 114 120 ASN CG C 179.445 0.000 1 stop_ save_