data_30101 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural characterization of melanoregulin (mreg): the protein involved in regulation of cell pigmentation ; _BMRB_accession_number 30101 _BMRB_flat_file_name bmr30101.str _Entry_type original _Submission_date 2016-06-03 _Accession_date 2016-06-03 _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 Rout A. K. . 2 Bermejo G. . . 3 Marie-Paule S. . . 4 Hammer J. A. III 5 Tjandra N. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 572 "13C chemical shifts" 533 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-02 original BMRB . stop_ _Original_release_date 2016-06-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization of melanoregulin (MREG): the protein involved in regulation of cell pigmentation ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rout A. K. . 2 Bermejo G. . . 3 Wu X. . . 4 Marie-Paule S. . . 5 Hammer J. A. III 6 Tjandra N. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Melanoregulin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Melanoregulin _Molecular_mass 25348.918 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 217 _Mol_residue_sequence ; EFSAGLRRWLRSACCCCPCR CLEEPARPEKEPLVSGNNPY SSFGATLERDDEKNLWSMPH DVSHTEADDDRILYNLIVIR NQQTKDSEEWQRLNYDIYTL RQIRREVRNRWRRILEDLGF QREADSLLSVTKLSTMSDSK NTRKAREMLLKLAEETSIFP ASWELSERYLLVVDRLIALD AAEDFFKIASQMYPKKPGVP CLVDGQRKLHCLPFPSP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLU 2 -1 PHE 3 0 SER 4 1 ALA 5 2 GLY 6 3 LEU 7 4 ARG 8 5 ARG 9 6 TRP 10 7 LEU 11 8 ARG 12 9 SER 13 10 ALA 14 11 CYS 15 12 CYS 16 13 CYS 17 14 CYS 18 15 PRO 19 16 CYS 20 17 ARG 21 18 CYS 22 19 LEU 23 20 GLU 24 21 GLU 25 22 PRO 26 23 ALA 27 24 ARG 28 25 PRO 29 26 GLU 30 27 LYS 31 28 GLU 32 29 PRO 33 30 LEU 34 31 VAL 35 32 SER 36 33 GLY 37 34 ASN 38 35 ASN 39 36 PRO 40 37 TYR 41 38 SER 42 39 SER 43 40 PHE 44 41 GLY 45 42 ALA 46 43 THR 47 44 LEU 48 45 GLU 49 46 ARG 50 47 ASP 51 48 ASP 52 49 GLU 53 50 LYS 54 51 ASN 55 52 LEU 56 53 TRP 57 54 SER 58 55 MET 59 56 PRO 60 57 HIS 61 58 ASP 62 59 VAL 63 60 SER 64 61 HIS 65 62 THR 66 63 GLU 67 64 ALA 68 65 ASP 69 66 ASP 70 67 ASP 71 68 ARG 72 69 ILE 73 70 LEU 74 71 TYR 75 72 ASN 76 73 LEU 77 74 ILE 78 75 VAL 79 76 ILE 80 77 ARG 81 78 ASN 82 79 GLN 83 80 GLN 84 81 THR 85 82 LYS 86 83 ASP 87 84 SER 88 85 GLU 89 86 GLU 90 87 TRP 91 88 GLN 92 89 ARG 93 90 LEU 94 91 ASN 95 92 TYR 96 93 ASP 97 94 ILE 98 95 TYR 99 96 THR 100 97 LEU 101 98 ARG 102 99 GLN 103 100 ILE 104 101 ARG 105 102 ARG 106 103 GLU 107 104 VAL 108 105 ARG 109 106 ASN 110 107 ARG 111 108 TRP 112 109 ARG 113 110 ARG 114 111 ILE 115 112 LEU 116 113 GLU 117 114 ASP 118 115 LEU 119 116 GLY 120 117 PHE 121 118 GLN 122 119 ARG 123 120 GLU 124 121 ALA 125 122 ASP 126 123 SER 127 124 LEU 128 125 LEU 129 126 SER 130 127 VAL 131 128 THR 132 129 LYS 133 130 LEU 134 131 SER 135 132 THR 136 133 MET 137 134 SER 138 135 ASP 139 136 SER 140 137 LYS 141 138 ASN 142 139 THR 143 140 ARG 144 141 LYS 145 142 ALA 146 143 ARG 147 144 GLU 148 145 MET 149 146 LEU 150 147 LEU 151 148 LYS 152 149 LEU 153 150 ALA 154 151 GLU 155 152 GLU 156 153 THR 157 154 SER 158 155 ILE 159 156 PHE 160 157 PRO 161 158 ALA 162 159 SER 163 160 TRP 164 161 GLU 165 162 LEU 166 163 SER 167 164 GLU 168 165 ARG 169 166 TYR 170 167 LEU 171 168 LEU 172 169 VAL 173 170 VAL 174 171 ASP 175 172 ARG 176 173 LEU 177 174 ILE 178 175 ALA 179 176 LEU 180 177 ASP 181 178 ALA 182 179 ALA 183 180 GLU 184 181 ASP 185 182 PHE 186 183 PHE 187 184 LYS 188 185 ILE 189 186 ALA 190 187 SER 191 188 GLN 192 189 MET 193 190 TYR 194 191 PRO 195 192 LYS 196 193 LYS 197 194 PRO 198 195 GLY 199 196 VAL 200 197 PRO 201 198 CYS 202 199 LEU 203 200 VAL 204 201 ASP 205 202 GLY 206 203 GLN 207 204 ARG 208 205 LYS 209 206 LEU 210 207 HIS 211 208 CYS 212 209 LEU 213 210 PRO 214 211 PHE 215 212 PRO 216 213 SER 217 214 PRO 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 _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Mreg, Dsu, Gm974, Wdt2' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.150 mM [U-99% 15N] melanoregulin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.150 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' L-Arginine 5 mM 'natural abundance' L-Glutamine 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.150 mM [U-99% 13C; U-99% 15N] melanoregulin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.150 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' L-Arginine 5 mM 'natural abundance' L-Glutamine 5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.150 mM U-15;U-13C;U-2H melanoregulin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.150 mM U-15;U-13C;U-2H H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' L-Arginine 5 mM 'natural abundance' L-Glutamine 5 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.150 mM 15N/13C/2H/ILV-CH3 melanoregulin, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.150 mM 15N/13C/2H/ILV-CH3 D2O 100 % 'natural abundance' L-Arginine 5 mM 'natural abundance' L-Glutamine 5 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '0.150 mM [U-99% 15N] melanoregulin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.150 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' L-Arginine 5 mM 'natural abundance' L-Glutamine 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_5 _Saveframe_category software _Name XPLOR _Version . loop_ _Vendor _Address _Electronic_address 'G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_3 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_3 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HMCMCBCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCMCBCA' _Sample_label $sample_4 save_ save_3D_ILV-CH3_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D ILV-CH3 NOESY' _Sample_label $sample_4 save_ save_2D_IPAP_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP' _Sample_label $sample_1 save_ save_1H_T2_13 _Saveframe_category NMR_applied_experiment _Experiment_name 1H_T2 _Sample_label $sample_5 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' 10 0.2 mM pH 6.3 0.05 pH pressure 1 0.01 atm temperature 303 0.2 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.3 0.05 pH pressure 1 . atm temperature 303 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 4.78 external direct . . . 0.1 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 $software_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CACB' '3D HNCACB' '3D HBHA(CO)NH' '3D HMCMCBCA' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 39 42 SER HA H 4.379 0.05 1 2 39 42 SER HB2 H 3.773 0.05 2 3 39 42 SER C C 174.413 0.50 1 4 39 42 SER CA C 58.145 0.50 1 5 39 42 SER CB C 62.516 0.50 1 6 40 43 PHE H H 8.188 0.05 1 7 40 43 PHE HA H 4.555 0.05 1 8 40 43 PHE HB2 H 3.119 0.05 2 9 40 43 PHE HB3 H 3.043 0.05 2 10 40 43 PHE C C 176.437 0.50 1 11 40 43 PHE CA C 57.805 0.50 1 12 40 43 PHE CB C 38.284 0.50 1 13 40 43 PHE N N 121.464 0.50 1 14 41 44 GLY H H 8.294 0.05 1 15 41 44 GLY HA2 H 4.529 0.05 2 16 41 44 GLY HA3 H 3.845 0.05 2 17 41 44 GLY C C 174.100 0.50 1 18 41 44 GLY CA C 45.034 0.50 1 19 41 44 GLY N N 109.709 0.50 1 20 42 45 ALA H H 8.079 0.05 1 21 42 45 ALA HA H 4.340 0.05 1 22 42 45 ALA HB H 1.394 0.05 1 23 42 45 ALA C C 178.337 0.50 1 24 42 45 ALA CA C 52.314 0.50 1 25 42 45 ALA CB C 18.384 0.50 1 26 42 45 ALA N N 123.491 0.50 1 27 43 46 THR H H 8.073 0.05 1 28 43 46 THR HA H 4.354 0.05 1 29 43 46 THR HB H 4.243 0.05 1 30 43 46 THR C C 175.037 0.05 1 31 43 46 THR CA C 62.242 0.50 1 32 43 46 THR CB C 69.016 0.50 1 33 43 46 THR N N 113.085 0.50 1 34 44 47 LEU H H 8.174 0.05 1 35 44 47 LEU HA H 4.278 0.05 1 36 44 47 LEU HB2 H 1.605 0.05 2 37 44 47 LEU HB3 H 1.368 0.05 2 38 44 47 LEU HG H 0.901 0.05 1 39 44 47 LEU HD1 H 0.857 0.05 1 40 44 47 LEU C C 178.018 0.50 1 41 44 47 LEU CA C 55.444 0.50 1 42 44 47 LEU CB C 40.919 0.50 1 43 44 47 LEU CG C 28.714 0.50 1 44 44 47 LEU CD1 C 24.644 0.50 1 45 44 47 LEU N N 123.502 0.50 1 46 45 48 GLU H H 8.337 0.05 1 47 45 48 GLU HA H 4.235 0.05 1 48 45 48 GLU HB2 H 1.984 0.05 2 49 45 48 GLU C C 176.979 0.50 1 50 45 48 GLU CA C 56.915 0.50 1 51 45 48 GLU CB C 28.816 0.50 1 52 45 48 GLU N N 121.035 0.50 1 53 46 49 ARG H H 8.290 0.05 1 54 46 49 ARG HA H 4.212 0.05 1 55 46 49 ARG HB2 H 1.684 0.05 2 56 46 49 ARG HB3 H 1.579 0.05 2 57 46 49 ARG C C 176.371 0.50 1 58 46 49 ARG CA C 56.639 0.50 1 59 46 49 ARG CB C 28.788 0.50 1 60 46 49 ARG N N 120.701 0.50 1 61 47 50 ASP H H 8.334 0.05 1 62 47 50 ASP CA C 55.471 0.50 1 63 47 50 ASP CB C 41.050 0.50 1 64 47 50 ASP N N 121.346 0.50 1 65 49 52 GLU HA H 3.962 0.05 1 66 49 52 GLU C C 176.597 0.50 1 67 49 52 GLU CA C 57.167 0.50 1 68 49 52 GLU CB C 32.042 0.50 1 69 50 53 LYS H H 7.580 0.05 1 70 50 53 LYS HA H 4.000 0.05 1 71 50 53 LYS HB2 H 1.684 0.05 2 72 50 53 LYS C C 176.948 0.50 1 73 50 53 LYS CA C 57.478 0.50 1 74 50 53 LYS CB C 32.042 0.50 1 75 50 53 LYS N N 116.499 0.50 1 76 51 54 ASN H H 7.291 0.05 1 77 51 54 ASN HA H 4.547 0.05 1 78 51 54 ASN CA C 53.541 0.50 1 79 51 54 ASN CB C 38.259 0.50 1 80 51 54 ASN N N 112.448 0.50 1 81 56 59 PRO HA H 3.994 0.05 1 82 56 59 PRO C C 176.818 0.50 1 83 56 59 PRO CA C 63.943 0.50 1 84 56 59 PRO CB C 30.983 0.50 1 85 57 60 HIS H H 8.588 0.05 1 86 57 60 HIS HA H 4.370 0.05 1 87 57 60 HIS HB2 H 3.659 0.05 2 88 57 60 HIS C C 175.047 0.50 1 89 57 60 HIS CA C 56.915 0.50 1 90 57 60 HIS CB C 27.845 0.50 1 91 57 60 HIS N N 112.713 0.50 1 92 58 61 ASP H H 7.292 0.05 1 93 58 61 ASP HA H 4.594 0.05 1 94 58 61 ASP HB2 H 2.764 0.05 2 95 58 61 ASP C C 176.249 0.50 1 96 58 61 ASP CA C 51.566 0.50 1 97 58 61 ASP CB C 39.704 0.50 1 98 58 61 ASP N N 118.330 0.50 1 99 59 62 VAL H H 7.690 0.05 1 100 59 62 VAL HA H 3.199 0.05 1 101 59 62 VAL HB H 1.961 0.05 1 102 59 62 VAL HG1 H 0.833 0.05 1 103 59 62 VAL C C 175.111 0.50 1 104 59 62 VAL CA C 62.258 0.50 1 105 59 62 VAL CB C 29.692 0.50 1 106 59 62 VAL CG1 C 21.438 0.50 1 107 59 62 VAL N N 120.517 0.50 1 108 60 63 SER H H 7.444 0.05 1 109 60 63 SER HA H 4.476 0.05 1 110 60 63 SER HB2 H 3.738 0.05 1 111 60 63 SER C C 173.717 0.50 1 112 60 63 SER CA C 58.394 0.50 1 113 60 63 SER CB C 63.930 0.50 1 114 60 63 SER N N 114.278 0.50 1 115 61 64 HIS H H 6.483 0.05 1 116 61 64 HIS HA H 3.844 0.05 1 117 61 64 HIS HB2 H 3.080 0.05 2 118 61 64 HIS C C 179.865 0.50 1 119 61 64 HIS CA C 54.489 0.50 1 120 61 64 HIS CB C 24.439 0.50 1 121 61 64 HIS N N 112.698 0.50 1 122 62 65 THR H H 8.061 0.05 1 123 62 65 THR HA H 4.414 0.05 1 124 62 65 THR HB H 4.002 0.05 2 125 62 65 THR C C 175.871 0.50 1 126 62 65 THR CA C 60.795 0.50 1 127 62 65 THR CB C 70.999 0.50 1 128 62 65 THR N N 123.057 0.50 1 129 63 66 GLU H H 8.671 0.05 1 130 63 66 GLU HA H 3.870 0.05 1 131 63 66 GLU HB2 H 1.916 0.05 2 132 63 66 GLU C C 177.192 0.50 1 133 63 66 GLU CA C 59.088 0.50 1 134 63 66 GLU CB C 29.037 0.50 1 135 63 66 GLU N N 125.311 0.50 1 136 64 67 ALA H H 9.291 0.05 1 137 64 67 ALA HA H 4.604 0.05 1 138 64 67 ALA HB H 1.443 0.05 1 139 64 67 ALA C C 178.020 0.50 1 140 64 67 ALA CA C 50.023 0.50 1 141 64 67 ALA CB C 18.375 0.50 1 142 64 67 ALA N N 123.184 0.50 1 143 65 68 ASP H H 8.927 0.05 1 144 65 68 ASP HA H 4.164 0.05 1 145 65 68 ASP HB2 H 2.692 0.05 1 146 65 68 ASP HB3 H 2.487 0.05 1 147 65 68 ASP C C 176.882 0.50 1 148 65 68 ASP CA C 57.154 0.50 1 149 65 68 ASP CB C 40.436 0.50 1 150 65 68 ASP N N 123.652 0.50 1 151 66 69 ASP H H 8.876 0.05 1 152 66 69 ASP HA H 4.212 0.05 1 153 66 69 ASP HB2 H 2.685 0.05 2 154 66 69 ASP HB3 H 2.527 0.05 2 155 66 69 ASP C C 179.161 0.50 1 156 66 69 ASP CA C 55.700 0.50 1 157 66 69 ASP CB C 37.534 0.50 1 158 66 69 ASP N N 115.035 0.50 1 159 67 70 ASP H H 7.286 0.05 1 160 67 70 ASP HA H 3.752 0.05 1 161 67 70 ASP HB2 H 2.501 0.05 2 162 67 70 ASP C C 175.617 0.50 1 163 67 70 ASP CA C 56.918 0.50 1 164 67 70 ASP CB C 39.956 0.50 1 165 67 70 ASP N N 123.265 0.50 1 166 68 71 ARG H H 8.395 0.05 1 167 68 71 ARG HA H 4.325 0.05 1 168 68 71 ARG HB2 H 2.119 0.05 2 169 68 71 ARG HB3 H 1.645 0.05 2 170 68 71 ARG C C 176.633 0.50 1 171 68 71 ARG CA C 56.218 0.50 1 172 68 71 ARG CB C 32.900 0.50 1 173 68 71 ARG N N 117.622 0.50 1 174 69 72 ILE H H 8.068 0.05 1 175 69 72 ILE HA H 3.752 0.05 1 176 69 72 ILE HB H 2.171 0.05 1 177 69 72 ILE HD1 H 0.662 0.05 1 178 69 72 ILE C C 178.399 0.50 1 179 69 72 ILE CA C 57.163 0.50 1 180 69 72 ILE CB C 37.284 0.50 1 181 69 72 ILE CD1 C 11.839 0.50 1 182 69 72 ILE N N 118.642 0.50 1 183 70 73 LEU H H 7.394 0.05 1 184 70 73 LEU HA H 4.094 0.05 1 185 70 73 LEU HB2 H 1.526 0.05 2 186 70 73 LEU HD1 H 0.955 0.05 1 187 70 73 LEU C C 177.452 0.50 1 188 70 73 LEU CA C 57.868 0.50 1 189 70 73 LEU CB C 40.210 0.50 1 190 70 73 LEU CD1 C 20.800 0.50 1 191 70 73 LEU N N 120.061 0.50 1 192 71 74 TYR H H 9.543 0.05 1 193 71 74 TYR HA H 4.358 0.05 1 194 71 74 TYR HB2 H 3.054 0.05 2 195 71 74 TYR HB3 H 2.672 0.05 2 196 71 74 TYR HD1 H 7.095 0.05 1 197 71 74 TYR HE1 H 6.766 0.05 1 198 71 74 TYR C C 177.009 0.50 1 199 71 74 TYR CA C 61.274 0.50 1 200 71 74 TYR CB C 37.763 0.50 1 201 71 74 TYR N N 117.624 0.50 1 202 72 75 ASN H H 8.608 0.05 1 203 72 75 ASN HA H 4.212 0.05 1 204 72 75 ASN HB2 H 2.316 0.05 2 205 72 75 ASN C C 177.832 0.50 1 206 72 75 ASN CA C 55.929 0.50 1 207 72 75 ASN CB C 37.536 0.50 1 208 72 75 ASN N N 115.114 0.50 1 209 73 76 LEU H H 7.848 0.05 1 210 73 76 LEU HA H 3.975 0.05 1 211 73 76 LEU HB2 H 1.302 0.05 2 212 73 76 LEU HD1 H 0.816 0.05 1 213 73 76 LEU C C 178.717 0.50 1 214 73 76 LEU CA C 57.654 0.50 1 215 73 76 LEU CB C 41.475 0.50 1 216 73 76 LEU CD1 C 22.663 0.50 1 217 73 76 LEU N N 118.859 0.50 1 218 74 77 ILE H H 7.846 0.05 1 219 74 77 ILE HA H 4.318 0.05 1 220 74 77 ILE HB H 1.631 0.05 1 221 74 77 ILE HG12 H 0.837 0.05 1 222 74 77 ILE HG2 H 0.741 0.05 1 223 74 77 ILE HD1 H 0.929 0.05 1 224 74 77 ILE C C 179.369 0.50 1 225 74 77 ILE CA C 65.865 0.50 1 226 74 77 ILE CB C 37.891 0.50 1 227 74 77 ILE CG1 C 24.873 0.50 1 228 74 77 ILE CG2 C 20.658 0.50 1 229 74 77 ILE CD1 C 14.416 0.50 1 230 74 77 ILE N N 120.760 0.50 1 231 75 78 VAL H H 8.037 0.05 1 232 75 78 VAL HA H 4.733 0.05 1 233 75 78 VAL HB H 2.092 0.05 1 234 75 78 VAL HG2 H 0.496 0.05 1 235 75 78 VAL C C 177.741 0.50 1 236 75 78 VAL CA C 66.205 0.50 1 237 75 78 VAL CB C 30.639 0.50 1 238 75 78 VAL CG2 C 22.080 0.50 1 239 75 78 VAL N N 118.458 0.50 1 240 76 79 ILE H H 8.030 0.05 1 241 76 79 ILE HA H 3.817 0.05 1 242 76 79 ILE HB H 1.934 0.05 1 243 76 79 ILE HD1 H 0.813 0.05 1 244 76 79 ILE C C 172.323 0.50 1 245 76 79 ILE CA C 64.066 0.50 1 246 76 79 ILE CB C 36.781 0.50 1 247 76 79 ILE CD1 C 12.809 0.50 1 248 76 79 ILE N N 118.629 0.50 1 249 77 80 ARG H H 9.076 0.05 1 250 77 80 ARG HA H 3.620 0.05 1 251 77 80 ARG HB2 H 1.616 0.05 1 252 77 80 ARG HG2 H 1.670 0.05 1 253 77 80 ARG C C 178.589 0.50 1 254 77 80 ARG CA C 60.046 0.50 1 255 77 80 ARG CB C 27.594 0.50 1 256 77 80 ARG N N 124.673 0.50 1 257 78 81 ASN H H 8.259 0.05 1 258 78 81 ASN HA H 4.702 0.05 1 259 78 81 ASN HB2 H 3.067 0.05 2 260 78 81 ASN HB3 H 2.751 0.05 2 261 78 81 ASN C C 176.500 0.50 1 262 78 81 ASN CA C 53.760 0.50 1 263 78 81 ASN CB C 36.561 0.50 1 264 78 81 ASN N N 114.577 0.50 1 265 79 82 GLN H H 7.576 0.05 1 266 79 82 GLN HA H 4.384 0.05 1 267 79 82 GLN HB2 H 2.226 0.05 2 268 79 82 GLN HG2 H 2.715 0.05 1 269 79 82 GLN C C 176.501 0.50 1 270 79 82 GLN CA C 55.671 0.50 1 271 79 82 GLN CB C 28.115 0.50 1 272 79 82 GLN N N 117.239 0.50 1 273 80 83 GLN H H 8.113 0.05 1 274 80 83 GLN HA H 4.565 0.05 1 275 80 83 GLN HB2 H 2.457 0.05 2 276 80 83 GLN HG2 H 2.502 0.05 1 277 80 83 GLN C C 175.807 0.50 1 278 80 83 GLN CA C 52.546 0.50 1 279 80 83 GLN CB C 28.328 0.50 1 280 80 83 GLN N N 117.697 0.50 1 281 81 84 THR H H 8.701 0.05 1 282 81 84 THR HA H 4.107 0.05 1 283 81 84 THR HB H 3.436 0.05 1 284 81 84 THR C C 175.602 0.50 1 285 81 84 THR CA C 62.480 0.50 1 286 81 84 THR CB C 68.534 0.50 1 287 81 84 THR N N 116.911 0.50 1 288 82 85 LYS H H 8.679 0.05 1 289 82 85 LYS HA H 4.149 0.05 1 290 82 85 LYS HG2 H 1.285 0.05 1 291 82 85 LYS C C 176.123 0.50 1 292 82 85 LYS CA C 57.878 0.50 1 293 82 85 LYS CB C 30.058 0.50 1 294 82 85 LYS N N 108.860 0.50 1 295 83 86 ASP H H 6.262 0.05 1 296 83 86 ASP HA H 4.397 0.05 1 297 83 86 ASP HB2 H 2.711 0.05 2 298 83 86 ASP C C 175.051 0.50 1 299 83 86 ASP CA C 55.455 0.50 1 300 83 86 ASP CB C 38.268 0.50 1 301 83 86 ASP N N 115.679 0.50 1 302 84 87 SER H H 7.945 0.05 1 303 84 87 SER HA H 4.489 0.05 1 304 84 87 SER HB2 H 3.686 0.05 2 305 84 87 SER C C 174.986 0.50 1 306 84 87 SER CA C 58.191 0.50 1 307 84 87 SER CB C 64.774 0.50 1 308 84 87 SER N N 115.431 0.50 1 309 85 88 GLU H H 9.237 0.05 1 310 85 88 GLU HA H 4.068 0.05 1 311 85 88 GLU HB2 H 2.106 0.05 2 312 85 88 GLU C C 179.413 0.50 1 313 85 88 GLU CA C 59.584 0.50 1 314 85 88 GLU CB C 28.328 0.50 1 315 85 88 GLU N N 122.635 0.50 1 316 86 89 GLU H H 9.057 0.05 1 317 86 89 GLU HA H 4.254 0.05 1 318 86 89 GLU HB2 H 2.181 0.05 2 319 86 89 GLU HB3 H 1.897 0.05 2 320 86 89 GLU C C 178.528 0.50 1 321 86 89 GLU CA C 58.836 0.50 1 322 86 89 GLU CB C 28.222 0.50 1 323 86 89 GLU N N 118.956 0.50 1 324 87 90 TRP H H 7.890 0.05 1 325 87 90 TRP HA H 3.686 0.05 1 326 87 90 TRP HB2 H 3.317 0.05 2 327 87 90 TRP HB3 H 2.730 0.05 2 328 87 90 TRP C C 177.959 0.50 1 329 87 90 TRP CA C 62.476 0.50 1 330 87 90 TRP CB C 28.766 0.50 1 331 87 90 TRP N N 119.737 0.50 1 332 88 91 GLN H H 8.532 0.05 1 333 88 91 GLN HA H 4.026 0.05 1 334 88 91 GLN HB2 H 2.370 0.05 2 335 88 91 GLN HG2 H 2.737 0.05 1 336 88 91 GLN C C 178.785 0.50 1 337 88 91 GLN CA C 58.624 0.50 1 338 88 91 GLN CB C 27.843 0.50 1 339 88 91 GLN N N 115.686 0.50 1 340 89 92 ARG H H 8.240 0.05 1 341 89 92 ARG HA H 4.054 0.05 1 342 89 92 ARG HB2 H 1.945 0.05 2 343 89 92 ARG C C 178.970 0.50 1 344 89 92 ARG CA C 58.855 0.50 1 345 89 92 ARG CB C 29.313 0.50 1 346 89 92 ARG N N 120.901 0.50 1 347 90 93 LEU H H 7.853 0.05 1 348 90 93 LEU HA H 4.069 0.05 1 349 90 93 LEU HB2 H 1.945 0.05 2 350 90 93 LEU HB3 H 1.723 0.05 2 351 90 93 LEU HG H 1.422 0.05 1 352 90 93 LEU C C 178.844 0.50 1 353 90 93 LEU CA C 56.920 0.50 1 354 90 93 LEU CB C 40.904 0.50 1 355 90 93 LEU CG C 26.835 0.50 1 356 90 93 LEU N N 119.353 0.50 1 357 91 94 ASN H H 8.476 0.05 1 358 91 94 ASN HA H 4.081 0.05 1 359 91 94 ASN HB2 H 2.397 0.05 2 360 91 94 ASN C C 177.133 0.50 1 361 91 94 ASN CA C 56.191 0.50 1 362 91 94 ASN CB C 37.998 0.50 1 363 91 94 ASN N N 115.827 0.50 1 364 92 95 TYR H H 8.068 0.05 1 365 92 95 TYR HA H 4.410 0.05 1 366 92 95 TYR HB2 H 3.225 0.05 2 367 92 95 TYR C C 178.211 0.50 1 368 92 95 TYR CA C 60.802 0.50 1 369 92 95 TYR CB C 36.820 0.50 1 370 92 95 TYR N N 119.662 0.50 1 371 93 96 ASP H H 7.832 0.05 1 372 93 96 ASP HA H 4.371 0.05 1 373 93 96 ASP HB2 H 2.553 0.05 2 374 93 96 ASP HB3 H 2.343 0.05 2 375 93 96 ASP C C 179.000 0.50 1 376 93 96 ASP CA C 57.376 0.50 1 377 93 96 ASP CB C 39.683 0.50 1 378 93 96 ASP N N 122.956 0.50 1 379 94 97 ILE H H 8.177 0.05 1 380 94 97 ILE HA H 4.697 0.05 1 381 94 97 ILE HB H 2.711 0.05 1 382 94 97 ILE HD1 H 0.511 0.05 1 383 94 97 ILE C C 177.010 0.50 1 384 94 97 ILE CA C 65.178 0.50 1 385 94 97 ILE CB C 37.774 0.50 1 386 94 97 ILE CD1 C 15.029 0.50 1 387 94 97 ILE N N 121.406 0.50 1 388 95 98 TYR H H 8.494 0.05 1 389 95 98 TYR HA H 3.962 0.05 1 390 95 98 TYR HB2 H 3.225 0.05 2 391 95 98 TYR C C 178.147 0.50 1 392 95 98 TYR CA C 61.042 0.50 1 393 95 98 TYR CB C 36.626 0.50 1 394 95 98 TYR N N 120.206 0.50 1 395 96 99 THR H H 8.312 0.05 1 396 96 99 THR HA H 4.212 0.05 1 397 96 99 THR HB H 3.646 0.05 1 398 96 99 THR HG2 H 1.221 0.05 1 399 96 99 THR C C 176.316 0.50 1 400 96 99 THR CA C 66.126 0.50 1 401 96 99 THR CB C 68.054 0.50 1 402 96 99 THR N N 116.016 0.50 1 403 97 100 LEU H H 7.644 0.05 1 404 97 100 LEU HA H 4.173 0.05 1 405 97 100 LEU HB2 H 1.908 0.05 2 406 97 100 LEU HG H 1.440 0.05 1 407 97 100 LEU HD2 H 0.865 0.05 1 408 97 100 LEU C C 172.835 0.50 1 409 97 100 LEU CA C 57.647 0.50 1 410 97 100 LEU CB C 41.152 0.50 1 411 97 100 LEU CG C 25.385 0.50 1 412 97 100 LEU CD2 C 22.101 0.50 1 413 97 100 LEU N N 121.304 0.50 1 414 98 101 ARG H H 8.583 0.05 1 415 98 101 ARG HA H 3.673 0.05 1 416 98 101 ARG HB2 H 2.079 0.05 2 417 98 101 ARG C C 178.781 0.50 1 418 98 101 ARG CA C 59.605 0.50 1 419 98 101 ARG CB C 29.532 0.50 1 420 98 101 ARG N N 118.364 0.50 1 421 99 102 GLN H H 8.604 0.05 1 422 99 102 GLN HA H 3.844 0.05 1 423 99 102 GLN HB2 H 2.027 0.05 2 424 99 102 GLN HB3 H 1.934 0.05 2 425 99 102 GLN C C 178.779 0.50 1 426 99 102 GLN CA C 58.353 0.50 1 427 99 102 GLN CB C 26.873 0.50 1 428 99 102 GLN N N 119.667 0.50 1 429 100 103 ILE H H 7.740 0.05 1 430 100 103 ILE HA H 3.872 0.05 1 431 100 103 ILE HB H 2.027 0.05 1 432 100 103 ILE HG2 H 0.898 0.05 1 433 100 103 ILE HD1 H 0.909 0.05 1 434 100 103 ILE C C 178.339 0.50 1 435 100 103 ILE CA C 64.199 0.50 1 436 100 103 ILE CB C 37.290 0.50 1 437 100 103 ILE CG2 C 20.023 0.50 1 438 100 103 ILE CD1 C 13.309 0.50 1 439 100 103 ILE N N 120.287 0.50 1 440 101 104 ARG H H 7.390 0.05 1 441 101 104 ARG HA H 4.252 0.05 1 442 101 104 ARG HB2 H 1.649 0.05 2 443 101 104 ARG C C 179.741 0.50 1 444 101 104 ARG CA C 59.821 0.50 1 445 101 104 ARG CB C 29.085 0.50 1 446 101 104 ARG N N 117.937 0.50 1 447 102 105 ARG H H 8.645 0.05 1 448 102 105 ARG HA H 3.778 0.05 1 449 102 105 ARG HB2 H 1.855 0.05 2 450 102 105 ARG C C 177.769 0.50 1 451 102 105 ARG CA C 58.608 0.50 1 452 102 105 ARG CB C 28.580 0.50 1 453 102 105 ARG N N 122.443 0.50 1 454 103 106 GLU H H 8.529 0.05 1 455 103 106 GLU HA H 4.160 0.05 1 456 103 106 GLU HB2 H 2.079 0.05 2 457 103 106 GLU C C 179.415 0.50 1 458 103 106 GLU CA C 58.553 0.50 1 459 103 106 GLU CB C 27.774 0.50 1 460 103 106 GLU N N 121.074 0.50 1 461 104 107 VAL H H 7.955 0.05 1 462 104 107 VAL HA H 4.173 0.05 1 463 104 107 VAL HB H 2.241 0.05 1 464 104 107 VAL HG2 H 0.776 0.05 1 465 104 107 VAL C C 177.892 0.50 1 466 104 107 VAL CA C 66.843 0.50 1 467 104 107 VAL CB C 30.816 0.50 1 468 104 107 VAL CG2 C 21.887 0.50 1 469 104 107 VAL N N 119.032 0.50 1 470 105 108 ARG H H 7.691 0.05 1 471 105 108 ARG HA H 4.239 0.05 1 472 105 108 ARG HB2 H 2.028 0.05 1 473 105 108 ARG C C 178.653 0.50 2 474 105 108 ARG CA C 59.817 0.50 1 475 105 108 ARG CB C 28.314 0.50 1 476 105 108 ARG N N 120.341 0.50 1 477 106 109 ASN H H 8.624 0.05 1 478 106 109 ASN HA H 4.529 0.05 1 479 106 109 ASN HB2 H 3.073 0.05 2 480 106 109 ASN HB3 H 2.861 0.05 2 481 106 109 ASN C C 178.274 0.50 1 482 106 109 ASN CA C 55.191 0.50 1 483 106 109 ASN CB C 37.044 0.50 1 484 106 109 ASN N N 117.540 0.50 1 485 107 110 ARG H H 8.233 0.05 1 486 107 110 ARG HA H 4.384 0.05 1 487 107 110 ARG HB2 H 2.580 0.05 2 488 107 110 ARG C C 179.223 0.50 1 489 107 110 ARG CA C 59.431 0.50 1 490 107 110 ARG CB C 29.553 0.50 1 491 107 110 ARG N N 122.325 0.50 1 492 108 111 TRP H H 7.978 0.05 1 493 108 111 TRP HA H 3.687 0.05 1 494 108 111 TRP HB2 H 3.279 0.05 2 495 108 111 TRP C C 178.336 0.50 1 496 108 111 TRP CA C 62.244 0.50 1 497 108 111 TRP CB C 27.043 0.50 1 498 108 111 TRP N N 118.007 0.50 1 499 109 112 ARG H H 9.052 0.05 1 500 109 112 ARG HA H 3.779 0.05 1 501 109 112 ARG HB2 H 1.855 0.05 2 502 109 112 ARG C C 177.389 0.50 1 503 109 112 ARG CA C 60.067 0.50 1 504 109 112 ARG CB C 29.274 0.50 1 505 109 112 ARG N N 119.626 0.50 1 506 110 113 ARG H H 8.113 0.05 1 507 110 113 ARG HA H 4.107 0.05 1 508 110 113 ARG HB2 H 2.013 0.05 2 509 110 113 ARG C C 178.844 0.50 1 510 110 113 ARG CA C 58.371 0.50 1 511 110 113 ARG CB C 28.685 0.50 1 512 110 113 ARG N N 117.546 0.50 1 513 111 114 ILE H H 7.386 0.05 1 514 111 114 ILE HA H 3.501 0.05 1 515 111 114 ILE HB H 1.974 0.05 1 516 111 114 ILE HD1 H 0.159 0.05 1 517 111 114 ILE C C 177.894 0.50 1 518 111 114 ILE CA C 64.663 0.50 1 519 111 114 ILE CB C 35.353 0.50 1 520 111 114 ILE CD1 C 13.143 0.50 1 521 111 114 ILE N N 118.247 0.50 1 522 112 115 LEU H H 8.235 0.05 1 523 112 115 LEU HA H 4.186 0.05 1 524 112 115 LEU HB2 H 2.427 0.05 2 525 112 115 LEU HB3 H 2.049 0.05 2 526 112 115 LEU HG H 1.457 0.05 1 527 112 115 LEU HD1 H 1.004 0.05 1 528 112 115 LEU C C 179.725 0.50 1 529 112 115 LEU CA C 58.133 0.50 1 530 112 115 LEU CB C 39.800 0.50 1 531 112 115 LEU CG C 26.188 0.50 1 532 112 115 LEU CD1 C 23.664 0.50 1 533 112 115 LEU N N 117.155 0.50 1 534 113 116 GLU H H 8.564 0.05 1 535 113 116 GLU HA H 3.742 0.05 1 536 113 116 GLU HB2 H 2.353 0.05 2 537 113 116 GLU C C 173.735 0.50 1 538 113 116 GLU CA C 59.811 0.50 1 539 113 116 GLU CB C 27.798 0.50 1 540 113 116 GLU N N 118.305 0.50 1 541 114 117 ASP H H 8.039 0.05 1 542 114 117 ASP HA H 4.397 0.05 1 543 114 117 ASP HB2 H 2.593 0.05 2 544 114 117 ASP C C 178.336 0.50 1 545 114 117 ASP CA C 56.915 0.50 1 546 114 117 ASP CB C 39.718 0.50 1 547 114 117 ASP N N 123.404 0.50 1 548 115 118 LEU H H 7.996 0.05 1 549 115 118 LEU HA H 4.173 0.05 1 550 115 118 LEU HB2 H 2.027 0.05 2 551 115 118 LEU HB3 H 1.763 0.05 2 552 115 118 LEU HD2 H 0.997 0.05 1 553 115 118 LEU C C 176.378 0.50 1 554 115 118 LEU CA C 54.723 0.50 1 555 115 118 LEU CB C 42.380 0.50 1 556 115 118 LEU CD2 C 23.806 0.50 1 557 115 118 LEU N N 117.967 0.50 1 558 116 119 GLY H H 7.750 0.05 1 559 116 119 GLY HA2 H 4.173 0.05 1 560 116 119 GLY HA3 H 3.910 0.05 1 561 116 119 GLY C C 175.558 0.50 1 562 116 119 GLY CA C 44.321 0.50 1 563 116 119 GLY N N 124.834 0.50 1 564 117 120 PHE H H 8.210 0.05 1 565 117 120 PHE HA H 4.186 0.05 1 566 117 120 PHE HB2 H 3.357 0.05 2 567 117 120 PHE HB3 H 2.685 0.05 2 568 117 120 PHE HD1 H 7.198 0.05 1 569 117 120 PHE C C 175.997 0.50 1 570 117 120 PHE CA C 55.751 0.50 1 571 117 120 PHE CB C 36.807 0.50 1 572 117 120 PHE N N 120.131 0.50 1 573 118 121 GLN H H 8.725 0.05 1 574 118 121 GLN HA H 3.896 0.05 1 575 118 121 GLN HB2 H 2.185 0.05 2 576 118 121 GLN C C 178.272 0.50 1 577 118 121 GLN CA C 60.058 0.50 1 578 118 121 GLN CB C 27.113 0.50 1 579 118 121 GLN N N 119.193 0.50 1 580 119 122 ARG H H 8.808 0.05 1 581 119 122 ARG HA H 4.147 0.05 1 582 119 122 ARG HB2 H 1.842 0.05 2 583 119 122 ARG C C 178.148 0.50 1 584 119 122 ARG CA C 58.111 0.50 1 585 119 122 ARG CB C 28.563 0.50 1 586 119 122 ARG N N 117.820 0.50 1 587 120 123 GLU H H 8.610 0.05 1 588 120 123 GLU HA H 4.410 0.05 1 589 120 123 GLU HB2 H 2.040 0.05 2 590 120 123 GLU C C 177.199 0.50 1 591 120 123 GLU CA C 56.900 0.50 1 592 120 123 GLU CB C 28.788 0.50 1 593 120 123 GLU N N 117.074 0.50 1 594 121 124 ALA H H 7.834 0.05 1 595 121 124 ALA HA H 3.870 0.05 1 596 121 124 ALA HB H 1.513 0.05 1 597 121 124 ALA C C 177.833 0.50 1 598 121 124 ALA CA C 56.422 0.50 1 599 121 124 ALA CB C 17.435 0.50 1 600 121 124 ALA N N 122.400 0.50 1 601 122 125 ASP H H 8.502 0.05 1 602 122 125 ASP HA H 4.331 0.05 1 603 122 125 ASP HB2 H 2.593 0.05 1 604 122 125 ASP C C 179.036 0.50 1 605 122 125 ASP CA C 57.389 0.50 1 606 122 125 ASP CB C 39.467 0.50 1 607 122 125 ASP N N 113.966 0.50 1 608 123 126 SER H H 8.127 0.05 1 609 123 126 SER HA H 4.199 0.05 1 610 123 126 SER HB2 H 3.923 0.05 1 611 123 126 SER HB3 H 3.607 0.05 1 612 123 126 SER C C 177.704 0.50 1 613 123 126 SER CA C 60.766 0.50 1 614 123 126 SER CB C 62.087 0.50 1 615 123 126 SER N N 116.226 0.50 1 616 124 127 LEU H H 8.421 0.05 1 617 124 127 LEU HA H 3.962 0.05 1 618 124 127 LEU HB2 H 1.921 0.05 2 619 124 127 LEU HG H 1.112 0.05 1 620 124 127 LEU HD1 H 0.621 0.05 1 621 124 127 LEU HD2 H 0.658 0.05 1 622 124 127 LEU C C 178.147 0.50 1 623 124 127 LEU CA C 57.363 0.50 1 624 124 127 LEU CB C 41.410 0.50 1 625 124 127 LEU CG C 25.360 0.50 1 626 124 127 LEU CD1 C 23.490 0.50 1 627 124 127 LEU CD2 C 23.253 0.50 1 628 124 127 LEU N N 122.555 0.50 1 629 125 128 LEU H H 7.403 0.05 1 630 125 128 LEU HA H 4.120 0.05 1 631 125 128 LEU HB2 H 1.778 0.05 2 632 125 128 LEU HG H 1.541 0.05 1 633 125 128 LEU HD1 H 0.850 0.05 1 634 125 128 LEU HD2 H 0.887 0.05 1 635 125 128 LEU C C 176.882 0.50 1 636 125 128 LEU CA C 54.004 0.50 1 637 125 128 LEU CB C 41.379 0.50 1 638 125 128 LEU CG C 25.493 0.50 1 639 125 128 LEU CD1 C 23.084 0.50 1 640 125 128 LEU CD2 C 23.057 0.50 1 641 125 128 LEU N N 113.160 0.50 1 642 126 129 SER H H 7.230 0.05 1 643 126 129 SER HA H 4.525 0.05 1 644 126 129 SER HB2 H 4.017 0.05 1 645 126 129 SER C C 176.129 0.50 1 646 126 129 SER CA C 57.877 0.50 1 647 126 129 SER CB C 62.480 0.50 1 648 126 129 SER N N 115.273 0.50 1 649 127 130 VAL H H 8.401 0.05 1 650 127 130 VAL HA H 4.433 0.05 1 651 127 130 VAL HB H 1.726 0.05 1 652 127 130 VAL HG2 H 1.007 0.05 1 653 127 130 VAL CA C 59.062 0.50 1 654 127 130 VAL CB C 29.312 0.50 1 655 127 130 VAL CG2 C 26.689 0.50 1 656 127 130 VAL N N 121.476 0.50 1 657 129 132 LYS HA H 4.173 0.05 1 658 129 132 LYS HB2 H 1.631 0.05 2 659 129 132 LYS C C 175.998 0.50 1 660 129 132 LYS CA C 56.929 0.50 1 661 129 132 LYS CB C 30.978 0.50 1 662 130 133 LEU H H 7.960 0.05 1 663 130 133 LEU HA H 4.317 0.05 1 664 130 133 LEU HG H 1.500 0.05 1 665 130 133 LEU HD2 H 0.760 0.05 1 666 130 133 LEU C C 177.896 0.50 1 667 130 133 LEU CA C 54.244 0.50 1 668 130 133 LEU CB C 40.920 0.50 1 669 130 133 LEU CG C 26.248 0.50 1 670 130 133 LEU CD2 C 22.337 0.50 1 671 130 133 LEU N N 118.631 0.50 1 672 131 134 SER H H 7.855 0.05 1 673 131 134 SER HA H 4.357 0.05 1 674 131 134 SER HB2 H 3.872 0.05 2 675 131 134 SER C C 173.782 0.50 1 676 131 134 SER CA C 58.858 0.50 1 677 131 134 SER CB C 62.233 0.50 1 678 131 134 SER N N 117.000 0.50 1 679 132 135 THR H H 8.168 0.05 1 680 132 135 THR HA H 4.430 0.05 1 681 132 135 THR HB H 3.872 0.05 1 682 132 135 THR C C 174.288 0.50 1 683 132 135 THR CA C 60.305 0.50 1 684 132 135 THR CB C 70.208 0.50 1 685 132 135 THR N N 114.885 0.50 1 686 133 136 MET H H 8.378 0.05 1 687 133 136 MET HA H 4.452 0.05 1 688 133 136 MET HB2 H 2.105 0.05 1 689 133 136 MET CA C 54.731 0.50 1 690 133 136 MET CB C 39.702 0.50 1 691 133 136 MET N N 121.293 0.50 1 692 134 137 SER HA H 4.344 0.05 1 693 134 137 SER HB2 H 3.975 0.05 1 694 134 137 SER HB3 H 3.870 0.05 1 695 134 137 SER C C 174.731 0.50 1 696 134 137 SER CA C 59.549 0.50 1 697 134 137 SER CB C 62.138 0.50 1 698 135 138 ASP H H 7.958 0.05 1 699 135 138 ASP HA H 4.502 0.05 1 700 135 138 ASP HB2 H 2.185 0.05 2 701 135 138 ASP C C 175.555 0.50 1 702 135 138 ASP CA C 53.517 0.50 1 703 135 138 ASP CB C 41.173 0.50 1 704 135 138 ASP N N 119.826 0.50 1 705 136 139 SER H H 7.919 0.05 1 706 136 139 SER HA H 4.265 0.05 1 707 136 139 SER HB2 H 3.910 0.05 2 708 136 139 SER C C 176.061 0.50 1 709 136 139 SER CA C 57.642 0.50 1 710 136 139 SER CB C 63.876 0.50 1 711 136 139 SER N N 116.142 0.50 1 712 137 140 LYS H H 8.812 0.05 1 713 137 140 LYS HA H 4.265 0.05 1 714 137 140 LYS HB2 H 1.855 0.05 2 715 137 140 LYS C C 177.705 0.50 1 716 137 140 LYS CA C 57.152 0.50 1 717 137 140 LYS CB C 31.242 0.50 1 718 137 140 LYS N N 123.384 0.50 1 719 138 141 ASN H H 8.659 0.05 1 720 138 141 ASN HA H 4.301 0.05 1 721 138 141 ASN HB2 H 2.957 0.05 1 722 138 141 ASN CA C 53.025 0.50 1 723 138 141 ASN CB C 38.013 0.50 1 724 138 141 ASN N N 118.403 0.50 1 725 140 143 ARG HA H 4.002 0.05 1 726 140 143 ARG HB2 H 1.829 0.05 1 727 140 143 ARG C C 178.592 0.50 1 728 140 143 ARG CA C 59.256 0.50 1 729 140 143 ARG CB C 28.326 0.50 1 730 141 144 LYS H H 8.059 0.05 1 731 141 144 LYS HA H 4.054 0.05 1 732 141 144 LYS HB2 H 1.829 0.05 1 733 141 144 LYS C C 179.033 0.50 1 734 141 144 LYS CA C 58.382 0.50 1 735 141 144 LYS CB C 31.179 0.50 1 736 141 144 LYS N N 119.114 0.50 1 737 142 145 ALA H H 8.552 0.05 1 738 142 145 ALA HA H 4.028 0.05 1 739 142 145 ALA HB H 1.434 0.05 1 740 142 145 ALA C C 178.717 0.50 1 741 142 145 ALA CA C 54.496 0.50 1 742 142 145 ALA CB C 16.930 0.50 1 743 142 145 ALA N N 122.130 0.50 1 744 143 146 ARG H H 8.266 0.05 1 745 143 146 ARG HA H 3.949 0.05 1 746 143 146 ARG HB2 H 1.973 0.05 2 747 143 146 ARG C C 178.275 0.50 1 748 143 146 ARG CA C 59.330 0.50 1 749 143 146 ARG CB C 28.566 0.50 1 750 143 146 ARG N N 118.560 0.50 1 751 144 147 GLU H H 8.125 0.05 1 752 144 147 GLU HA H 4.436 0.05 1 753 144 147 GLU HB2 H 2.237 0.05 2 754 144 147 GLU HB3 H 2.106 0.05 2 755 144 147 GLU C C 177.706 0.50 1 756 144 147 GLU CA C 56.915 0.50 1 757 144 147 GLU CB C 29.778 0.50 1 758 144 147 GLU N N 118.367 0.50 1 759 145 148 MET H H 8.701 0.05 1 760 145 148 MET HA H 3.791 0.05 1 761 145 148 MET HB2 H 2.048 0.05 2 762 145 148 MET C C 178.275 0.50 1 763 145 148 MET CA C 57.872 0.50 1 764 145 148 MET CB C 40.693 0.50 1 765 145 148 MET N N 121.545 0.50 1 766 146 149 LEU H H 8.099 0.05 1 767 146 149 LEU HA H 4.564 0.05 1 768 146 149 LEU HB2 H 2.027 0.05 2 769 146 149 LEU HB3 H 1.750 0.05 2 770 146 149 LEU HG H 1.661 0.05 1 771 146 149 LEU C C 178.659 0.50 1 772 146 149 LEU CA C 58.828 0.50 1 773 146 149 LEU CB C 38.386 0.50 1 774 146 149 LEU CG C 26.418 0.50 1 775 146 149 LEU N N 117.603 0.50 1 776 147 150 LEU H H 8.343 0.05 1 777 147 150 LEU HA H 4.168 0.05 1 778 147 150 LEU HB2 H 1.750 0.05 2 779 147 150 LEU C C 179.030 0.50 1 780 147 150 LEU CA C 57.588 0.50 1 781 147 150 LEU CB C 40.390 0.50 1 782 147 150 LEU N N 118.529 0.50 1 783 148 151 LYS H H 7.875 0.05 1 784 148 151 LYS HA H 4.173 0.05 1 785 148 151 LYS C C 179.847 0.50 1 786 148 151 LYS CA C 59.382 0.50 1 787 148 151 LYS CB C 31.451 0.50 1 788 148 151 LYS N N 120.227 0.50 1 789 149 152 LEU H H 8.709 0.05 1 790 149 152 LEU HA H 4.206 0.05 1 791 149 152 LEU HB2 H 1.566 0.05 2 792 149 152 LEU HB3 H 1.342 0.05 2 793 149 152 LEU HG H 1.402 0.05 1 794 149 152 LEU C C 174.355 0.50 1 795 149 152 LEU CA C 57.633 0.50 1 796 149 152 LEU CB C 41.333 0.50 1 797 149 152 LEU CG C 26.328 0.50 1 798 149 152 LEU N N 119.259 0.50 1 799 150 153 ALA H H 8.360 0.05 1 800 150 153 ALA HA H 4.779 0.05 1 801 150 153 ALA HB H 1.671 0.05 1 802 150 153 ALA C C 178.590 0.50 1 803 150 153 ALA CA C 53.737 0.50 1 804 150 153 ALA CB C 17.900 0.50 1 805 150 153 ALA N N 121.494 0.50 1 806 151 154 GLU H H 8.506 0.05 1 807 151 154 GLU HA H 4.423 0.05 1 808 151 154 GLU HB2 H 2.279 0.05 2 809 151 154 GLU C C 179.096 0.50 1 810 151 154 GLU CA C 57.615 0.50 1 811 151 154 GLU CB C 30.503 0.50 1 812 151 154 GLU N N 114.569 0.50 1 813 152 155 GLU H H 8.808 0.05 1 814 152 155 GLU HA H 4.673 0.05 1 815 152 155 GLU HB2 H 1.686 0.05 1 816 152 155 GLU C C 175.492 0.50 1 817 152 155 GLU CA C 55.707 0.50 1 818 152 155 GLU CB C 29.785 0.50 1 819 152 155 GLU N N 113.940 0.50 1 820 153 156 THR H H 7.693 0.05 1 821 153 156 THR HA H 5.042 0.05 1 822 153 156 THR HB H 4.502 0.05 1 823 153 156 THR C C 173.277 0.50 1 824 153 156 THR CA C 59.579 0.50 1 825 153 156 THR CB C 71.212 0.50 1 826 153 156 THR N N 109.715 0.50 1 827 154 157 SER H H 8.994 0.05 1 828 154 157 SER HA H 4.533 0.05 1 829 154 157 SER HB2 H 3.738 0.05 2 830 154 157 SER C C 174.543 0.50 1 831 154 157 SER CA C 55.704 0.50 1 832 154 157 SER CB C 62.484 0.50 1 833 154 157 SER N N 113.863 0.50 1 834 155 158 ILE H H 8.066 0.05 1 835 155 158 ILE HA H 4.724 0.05 1 836 155 158 ILE HB H 1.934 0.05 1 837 155 158 ILE HD1 H -0.249 0.05 1 838 155 158 ILE C C 174.354 0.50 1 839 155 158 ILE CA C 64.903 0.50 1 840 155 158 ILE CB C 36.803 0.50 1 841 155 158 ILE CD1 C 13.134 0.50 1 842 155 158 ILE N N 122.164 0.50 1 843 156 159 PHE H H 8.515 0.05 1 844 156 159 PHE HA H 4.772 0.05 1 845 156 159 PHE HB2 H 2.875 0.05 2 846 156 159 PHE CA C 53.518 0.50 1 847 156 159 PHE CB C 37.989 0.50 1 848 156 159 PHE N N 117.616 0.50 1 849 157 160 PRO HA H 4.357 0.05 1 850 157 160 PRO HB2 H 2.066 0.05 2 851 157 160 PRO C C 177.213 0.50 1 852 157 160 PRO CA C 62.002 0.50 1 853 157 160 PRO CB C 31.050 0.50 1 854 158 161 ALA H H 8.649 0.05 1 855 158 161 ALA HA H 4.186 0.05 1 856 158 161 ALA HB H 1.447 0.05 1 857 158 161 ALA C C 178.330 0.50 1 858 158 161 ALA CA C 53.962 0.50 1 859 158 161 ALA CB C 17.611 0.50 1 860 158 161 ALA N N 125.392 0.50 1 861 159 162 SER H H 8.066 0.05 1 862 159 162 SER HA H 4.331 0.05 1 863 159 162 SER HB2 H 3.923 0.05 2 864 159 162 SER C C 174.856 0.50 1 865 159 162 SER CA C 58.102 0.50 1 866 159 162 SER CB C 62.132 0.50 1 867 159 162 SER N N 108.708 0.50 1 868 160 163 TRP H H 7.752 0.05 1 869 160 163 TRP HA H 4.529 0.05 1 870 160 163 TRP HB2 H 3.149 0.05 1 871 160 163 TRP C C 176.628 0.50 1 872 160 163 TRP CA C 57.836 0.50 1 873 160 163 TRP CB C 28.697 0.50 1 874 160 163 TRP N N 123.308 0.50 1 875 161 164 GLU H H 8.131 0.05 1 876 161 164 GLU HA H 4.265 0.05 1 877 161 164 GLU HB2 H 1.961 0.05 2 878 161 164 GLU HB3 H 1.592 0.05 2 879 161 164 GLU C C 176.189 0.50 1 880 161 164 GLU CA C 54.473 0.50 1 881 161 164 GLU CB C 29.782 0.50 1 882 161 164 GLU N N 123.496 0.50 1 883 162 165 LEU H H 8.384 0.05 1 884 162 165 LEU HA H 4.199 0.05 1 885 162 165 LEU HB2 H 1.829 0.05 2 886 162 165 LEU HG H 1.380 0.05 1 887 162 165 LEU HD1 H 0.772 0.05 1 888 162 165 LEU HD2 H 0.903 0.05 1 889 162 165 LEU C C 176.566 0.50 1 890 162 165 LEU CA C 55.945 0.50 1 891 162 165 LEU CB C 39.957 0.50 1 892 162 165 LEU CG C 26.822 0.50 1 893 162 165 LEU CD1 C 23.517 0.50 1 894 162 165 LEU CD2 C 25.422 0.50 1 895 162 165 LEU N N 122.560 0.50 1 896 163 166 SER H H 7.595 0.05 1 897 163 166 SER HA H 4.199 0.05 1 898 163 166 SER HB2 H 4.002 0.05 2 899 163 166 SER C C 174.671 0.50 1 900 163 166 SER CA C 55.635 0.50 1 901 163 166 SER CB C 64.664 0.50 1 902 163 166 SER N N 116.821 0.50 1 903 164 167 GLU H H 8.695 0.05 1 904 164 167 GLU HA H 3.989 0.05 1 905 164 167 GLU HB2 H 2.211 0.05 2 906 164 167 GLU HB3 H 1.724 0.05 2 907 164 167 GLU C C 177.645 0.50 1 908 164 167 GLU CA C 58.858 0.50 1 909 164 167 GLU CB C 28.741 0.50 1 910 164 167 GLU N N 126.553 0.50 1 911 165 168 ARG H H 8.539 0.05 1 912 165 168 ARG HA H 3.922 0.05 1 913 165 168 ARG HB2 H 1.945 0.05 2 914 165 168 ARG CA C 59.092 0.50 1 915 165 168 ARG CB C 28.834 0.50 1 916 165 168 ARG N N 116.998 0.50 1 917 166 169 TYR HA H 4.463 0.05 1 918 166 169 TYR HB2 H 2.685 0.05 2 919 166 169 TYR HB3 H 2.580 0.05 2 920 166 169 TYR C C 177.135 0.50 1 921 166 169 TYR CA C 62.045 0.50 1 922 166 169 TYR CB C 41.022 0.50 1 923 167 170 LEU H H 8.084 0.05 1 924 167 170 LEU HA H 3.928 0.05 1 925 167 170 LEU HB2 H 1.742 0.05 2 926 167 170 LEU HD1 H 1.260 0.05 1 927 167 170 LEU C C 178.591 0.50 1 928 167 170 LEU CA C 58.379 0.50 1 929 167 170 LEU CB C 40.676 0.50 1 930 167 170 LEU CD1 C 24.455 0.50 1 931 167 170 LEU N N 125.232 0.50 1 932 168 171 LEU H H 7.798 0.05 1 933 168 171 LEU HA H 4.041 0.05 1 934 168 171 LEU HB2 H 1.935 0.05 2 935 168 171 LEU HG H 1.356 0.05 1 936 168 171 LEU HD2 H 0.726 0.05 1 937 168 171 LEU C C 179.542 0.50 1 938 168 171 LEU CA C 57.154 0.50 1 939 168 171 LEU CB C 40.363 0.50 1 940 168 171 LEU CG C 26.939 0.50 1 941 168 171 LEU CD2 C 23.686 0.50 1 942 168 171 LEU N N 117.416 0.50 1 943 169 172 VAL H H 7.070 0.05 1 944 169 172 VAL HA H 3.520 0.05 1 945 169 172 VAL HB H 1.908 0.05 1 946 169 172 VAL C C 178.147 0.50 1 947 169 172 VAL CA C 66.354 0.50 1 948 169 172 VAL CB C 30.439 0.50 1 949 169 172 VAL N N 117.624 0.50 1 950 170 173 VAL H H 8.404 0.05 1 951 170 173 VAL HA H 4.226 0.05 1 952 170 173 VAL HB H 2.369 0.05 1 953 170 173 VAL HG1 H 1.166 0.05 1 954 170 173 VAL HG2 H 1.332 0.05 1 955 170 173 VAL C C 177.455 0.50 1 956 170 173 VAL CA C 66.862 0.50 1 957 170 173 VAL CB C 30.080 0.50 1 958 170 173 VAL CG1 C 23.221 0.50 1 959 170 173 VAL CG2 C 25.273 0.50 1 960 170 173 VAL N N 118.881 0.50 1 961 171 174 ASP H H 8.361 0.05 1 962 171 174 ASP HA H 4.252 0.05 1 963 171 174 ASP HB2 H 1.948 0.05 1 964 171 174 ASP C C 178.274 0.50 1 965 171 174 ASP CA C 57.977 0.50 1 966 171 174 ASP CB C 41.895 0.50 1 967 171 174 ASP N N 120.373 0.50 1 968 172 175 ARG H H 7.665 0.05 1 969 172 175 ARG HA H 4.041 0.05 1 970 172 175 ARG HB2 H 2.200 0.05 2 971 172 175 ARG C C 179.413 0.50 1 972 172 175 ARG CA C 58.605 0.50 1 973 172 175 ARG CB C 28.802 0.50 1 974 172 175 ARG N N 117.862 0.50 1 975 173 176 LEU H H 8.190 0.05 1 976 173 176 LEU HA H 3.936 0.05 1 977 173 176 LEU HB2 H 1.421 0.05 2 978 173 176 LEU HD1 H 0.428 0.05 1 979 173 176 LEU HD2 H 0.398 0.05 1 980 173 176 LEU C C 172.097 0.50 1 981 173 176 LEU CA C 57.139 0.50 1 982 173 176 LEU CB C 39.954 0.50 1 983 173 176 LEU CD1 C 25.967 0.50 1 984 173 176 LEU CD2 C 25.564 0.50 1 985 173 176 LEU N N 117.744 0.50 1 986 174 177 ILE H H 8.984 0.05 1 987 174 177 ILE HA H 3.896 0.05 1 988 174 177 ILE HB H 2.125 0.05 1 989 174 177 ILE HG12 H 0.892 0.05 1 990 174 177 ILE HG2 H 0.800 0.05 1 991 174 177 ILE HD1 H 0.739 0.05 1 992 174 177 ILE C C 172.392 0.50 1 993 174 177 ILE CA C 64.657 0.50 1 994 174 177 ILE CB C 36.564 0.50 1 995 174 177 ILE CG1 C 24.499 0.50 1 996 174 177 ILE CG2 C 21.104 0.50 1 997 174 177 ILE CD1 C 14.095 0.50 1 998 174 177 ILE N N 122.705 0.50 1 999 175 178 ALA H H 7.937 0.05 1 1000 175 178 ALA HA H 4.212 0.05 1 1001 175 178 ALA HB H 1.552 0.05 1 1002 175 178 ALA C C 179.034 0.50 1 1003 175 178 ALA CA C 54.490 0.50 1 1004 175 178 ALA CB C 16.933 0.50 1 1005 175 178 ALA N N 124.201 0.50 1 1006 176 179 LEU H H 7.273 0.05 1 1007 176 179 LEU HA H 4.398 0.05 1 1008 176 179 LEU HB2 H 1.737 0.05 1 1009 176 179 LEU HD1 H 0.497 0.05 1 1010 176 179 LEU HD2 H 0.588 0.05 1 1011 176 179 LEU C C 175.992 0.50 1 1012 176 179 LEU CA C 54.232 0.50 1 1013 176 179 LEU CB C 42.127 0.50 1 1014 176 179 LEU CD1 C 25.137 0.50 1 1015 176 179 LEU CD2 C 21.962 0.50 1 1016 176 179 LEU N N 116.767 0.50 1 1017 177 180 ASP H H 8.344 0.05 1 1018 177 180 ASP HA H 4.649 0.05 1 1019 177 180 ASP HB2 H 2.707 0.05 1 1020 177 180 ASP C C 175.744 0.50 1 1021 177 180 ASP CA C 55.071 0.50 1 1022 177 180 ASP CB C 38.974 0.50 1 1023 177 180 ASP N N 118.607 0.50 1 1024 178 181 ALA H H 8.441 0.05 1 1025 178 181 ALA HA H 4.649 0.05 1 1026 178 181 ALA HB H 1.513 0.05 1 1027 178 181 ALA C C 177.574 0.50 1 1028 178 181 ALA CA C 51.100 0.50 1 1029 178 181 ALA CB C 21.029 0.50 1 1030 178 181 ALA N N 116.922 0.50 1 1031 179 182 ALA H H 7.810 0.05 1 1032 179 182 ALA HA H 3.970 0.05 1 1033 179 182 ALA HB H 1.421 0.05 1 1034 179 182 ALA C C 178.844 0.50 1 1035 179 182 ALA CA C 55.213 0.50 1 1036 179 182 ALA CB C 17.659 0.50 1 1037 179 182 ALA N N 122.544 0.50 1 1038 180 183 GLU H H 8.428 0.05 1 1039 180 183 GLU HA H 4.169 0.05 1 1040 180 183 GLU HB2 H 2.316 0.05 1 1041 180 183 GLU C C 179.865 0.50 1 1042 180 183 GLU CA C 59.089 0.50 1 1043 180 183 GLU CB C 27.343 0.50 1 1044 180 183 GLU N N 118.105 0.50 1 1045 181 184 ASP H H 8.221 0.05 1 1046 181 184 ASP HA H 4.436 0.05 1 1047 181 184 ASP HB2 H 2.685 0.05 1 1048 181 184 ASP C C 178.082 0.50 1 1049 181 184 ASP CA C 56.922 0.50 1 1050 181 184 ASP CB C 39.744 0.50 1 1051 181 184 ASP N N 121.037 0.50 1 1052 182 185 PHE H H 8.430 0.05 1 1053 182 185 PHE HA H 3.699 0.05 1 1054 182 185 PHE HB2 H 2.922 0.05 1 1055 182 185 PHE C C 176.386 0.50 1 1056 182 185 PHE CA C 61.271 0.50 1 1057 182 185 PHE CB C 38.451 0.50 1 1058 182 185 PHE N N 120.126 0.50 1 1059 183 186 PHE H H 8.457 0.05 1 1060 183 186 PHE HA H 3.772 0.05 1 1061 183 186 PHE HB2 H 2.619 0.05 1 1062 183 186 PHE C C 176.819 0.50 1 1063 183 186 PHE CA C 61.765 0.50 1 1064 183 186 PHE CB C 38.014 0.50 1 1065 183 186 PHE N N 118.787 0.50 1 1066 184 187 LYS H H 8.204 0.05 1 1067 184 187 LYS HA H 3.667 0.05 1 1068 184 187 LYS HB2 H 1.961 0.05 2 1069 184 187 LYS C C 179.411 0.50 1 1070 184 187 LYS CA C 59.335 0.50 1 1071 184 187 LYS CB C 31.235 0.50 1 1072 184 187 LYS N N 119.714 0.50 1 1073 185 188 ILE H H 7.655 0.05 1 1074 185 188 ILE HA H 3.607 0.05 1 1075 185 188 ILE HB H 1.566 0.05 1 1076 185 188 ILE HG2 H 0.880 0.05 1 1077 185 188 ILE HD1 H 0.745 0.05 1 1078 185 188 ILE C C 178.332 0.50 1 1079 185 188 ILE CA C 63.461 0.50 1 1080 185 188 ILE CB C 35.594 0.50 1 1081 185 188 ILE CG2 C 20.881 0.50 1 1082 185 188 ILE CD1 C 12.326 0.50 1 1083 185 188 ILE N N 118.389 0.50 1 1084 186 189 ALA H H 8.699 0.05 1 1085 186 189 ALA HA H 3.534 0.05 1 1086 186 189 ALA HB H 1.552 0.05 1 1087 186 189 ALA C C 178.464 0.50 1 1088 186 189 ALA CA C 55.191 0.50 1 1089 186 189 ALA CB C 16.933 0.50 1 1090 186 189 ALA N N 122.881 0.50 1 1091 187 190 SER H H 8.021 0.05 1 1092 187 190 SER HA H 4.727 0.05 1 1093 187 190 SER HB2 H 3.626 0.05 2 1094 187 190 SER HB3 H 3.291 0.05 2 1095 187 190 SER C C 174.668 0.50 1 1096 187 190 SER CA C 60.323 0.50 1 1097 187 190 SER CB C 62.309 0.50 1 1098 187 190 SER N N 109.169 0.50 1 1099 188 191 GLN H H 7.015 0.05 1 1100 188 191 GLN HA H 4.039 0.05 1 1101 188 191 GLN HB2 H 2.211 0.05 2 1102 188 191 GLN HB3 H 2.001 0.05 2 1103 188 191 GLN C C 177.387 0.50 1 1104 188 191 GLN CA C 56.670 0.50 1 1105 188 191 GLN CB C 28.310 0.50 1 1106 188 191 GLN N N 118.723 0.50 1 1107 189 192 MET H H 8.288 0.05 1 1108 189 192 MET HA H 3.738 0.05 1 1109 189 192 MET HB2 H 2.198 0.05 2 1110 189 192 MET HB3 H 1.934 0.05 2 1111 189 192 MET C C 175.811 0.50 1 1112 189 192 MET CA C 56.926 0.50 1 1113 189 192 MET CB C 32.949 0.50 1 1114 189 192 MET N N 117.313 0.50 1 1115 190 193 TYR H H 7.937 0.05 1 1116 190 193 TYR HA H 4.423 0.05 1 1117 190 193 TYR HB2 H 2.634 0.05 2 1118 190 193 TYR CA C 53.454 0.50 1 1119 190 193 TYR CB C 36.387 0.50 1 1120 190 193 TYR N N 115.889 0.50 1 1121 191 194 PRO HA H 4.566 0.05 1 1122 191 194 PRO HB2 H 2.250 0.05 2 1123 191 194 PRO HB3 H 1.803 0.05 2 1124 191 194 PRO C C 178.083 0.50 1 1125 191 194 PRO CA C 62.483 0.50 1 1126 191 194 PRO CB C 31.234 0.50 1 1127 192 195 LYS H H 8.486 0.05 1 1128 192 195 LYS HA H 4.489 0.05 1 1129 192 195 LYS HB2 H 1.592 0.05 2 1130 192 195 LYS HB3 H 1.473 0.05 2 1131 192 195 LYS C C 175.680 0.50 1 1132 192 195 LYS CA C 56.188 0.50 1 1133 192 195 LYS CB C 31.947 0.50 1 1134 192 195 LYS N N 122.871 0.50 1 1135 193 196 LYS H H 8.418 0.05 1 1136 193 196 LYS HA H 4.508 0.05 1 1137 193 196 LYS CA C 53.060 0.50 1 1138 193 196 LYS CB C 31.686 0.50 1 1139 193 196 LYS N N 124.868 0.50 1 1140 194 197 PRO HA H 4.394 0.05 1 1141 194 197 PRO HB2 H 2.279 0.05 2 1142 194 197 PRO HB3 H 1.919 0.05 2 1143 194 197 PRO C C 177.391 0.50 1 1144 194 197 PRO CA C 62.492 0.50 1 1145 194 197 PRO CB C 31.232 0.50 1 1146 195 198 GLY H H 8.456 0.05 1 1147 195 198 GLY HA2 H 3.910 0.05 1 1148 195 198 GLY C C 173.782 0.50 1 1149 195 198 GLY CA C 44.556 0.50 1 1150 195 198 GLY N N 109.012 0.50 1 1151 196 199 VAL H H 7.932 0.05 1 1152 196 199 VAL HA H 4.466 0.05 1 1153 196 199 VAL CA C 59.076 0.50 1 1154 196 199 VAL CB C 31.697 0.50 1 1155 196 199 VAL N N 120.529 0.50 1 1156 197 200 PRO HA H 4.423 0.05 1 1157 197 200 PRO HB2 H 2.264 0.05 1 1158 197 200 PRO HB3 H 1.855 0.05 1 1159 197 200 PRO C C 176.502 0.50 1 1160 197 200 PRO CA C 62.497 0.50 1 1161 197 200 PRO CB C 31.228 0.50 1 1162 198 201 CYS H H 8.456 0.05 1 1163 198 201 CYS HA H 4.425 0.05 1 1164 198 201 CYS HB2 H 3.923 0.05 1 1165 198 201 CYS C C 174.417 0.50 1 1166 198 201 CYS CA C 57.876 0.50 1 1167 198 201 CYS CB C 27.811 0.50 1 1168 198 201 CYS N N 119.728 0.50 1 1169 199 202 LEU H H 8.414 0.05 1 1170 199 202 LEU HA H 4.472 0.05 1 1171 199 202 LEU HB2 H 1.615 0.05 2 1172 199 202 LEU HB3 H 1.542 0.05 2 1173 199 202 LEU HD1 H 0.784 0.05 1 1174 199 202 LEU HD2 H 0.811 0.05 1 1175 199 202 LEU C C 177.200 0.50 1 1176 199 202 LEU CA C 54.728 0.50 1 1177 199 202 LEU CB C 41.086 0.50 1 1178 199 202 LEU CD1 C 23.233 0.50 1 1179 199 202 LEU CD2 C 23.280 0.50 1 1180 199 202 LEU N N 125.071 0.50 1 1181 200 203 VAL H H 8.156 0.05 1 1182 200 203 VAL HA H 4.099 0.05 1 1183 200 203 VAL HB H 2.049 0.05 1 1184 200 203 VAL C C 175.871 0.50 1 1185 200 203 VAL CA C 61.749 0.50 1 1186 200 203 VAL CB C 31.732 0.50 1 1187 200 203 VAL N N 120.378 0.50 1 1188 201 204 ASP H H 8.411 0.05 1 1189 201 204 ASP HA H 4.524 0.05 1 1190 201 204 ASP HB2 H 2.666 0.05 2 1191 201 204 ASP C C 176.945 0.50 1 1192 201 204 ASP CA C 54.243 0.50 1 1193 201 204 ASP CB C 40.436 0.50 1 1194 201 204 ASP N N 123.742 0.50 1 1195 202 205 GLY H H 8.385 0.05 1 1196 202 205 GLY HA2 H 3.904 0.05 1 1197 202 205 GLY HA3 H 3.765 0.05 1 1198 202 205 GLY C C 174.535 0.50 1 1199 202 205 GLY CA C 45.268 0.50 1 1200 202 205 GLY N N 108.917 0.50 1 1201 203 206 GLN H H 8.210 0.05 1 1202 203 206 GLN HA H 4.292 0.05 1 1203 203 206 GLN HB2 H 2.106 0.05 2 1204 203 206 GLN HB3 H 2.013 0.05 2 1205 203 206 GLN C C 176.126 0.50 1 1206 203 206 GLN CA C 55.448 0.50 1 1207 203 206 GLN CB C 28.323 0.50 1 1208 203 206 GLN N N 119.265 0.50 1 1209 204 207 ARG H H 8.231 0.05 1 1210 204 207 ARG HA H 4.256 0.05 1 1211 204 207 ARG HB2 H 1.786 0.05 1 1212 204 207 ARG HB3 H 1.681 0.05 1 1213 204 207 ARG C C 176.187 0.50 1 1214 204 207 ARG CA C 55.696 0.50 1 1215 204 207 ARG CB C 29.534 0.50 1 1216 204 207 ARG N N 121.174 0.50 1 1217 205 208 LYS H H 8.268 0.05 1 1218 205 208 LYS HA H 4.263 0.05 1 1219 205 208 LYS HB2 H 1.750 0.05 1 1220 205 208 LYS HB3 H 1.676 0.05 1 1221 205 208 LYS C C 176.312 0.50 1 1222 205 208 LYS CA C 55.670 0.50 1 1223 205 208 LYS CB C 31.719 0.50 1 1224 205 208 LYS N N 121.940 0.50 1 1225 206 209 LEU H H 8.169 0.05 1 1226 206 209 LEU HA H 4.268 0.05 1 1227 206 209 LEU HB2 H 1.534 0.05 2 1228 206 209 LEU HB3 H 1.463 0.05 2 1229 206 209 LEU HD1 H 0.874 0.05 1 1230 206 209 LEU C C 177.009 0.50 1 1231 206 209 LEU CA C 54.732 0.50 1 1232 206 209 LEU CB C 41.167 0.50 1 1233 206 209 LEU CD1 C 25.170 0.50 1 1234 206 209 LEU N N 122.540 0.50 1 1235 210 213 PRO HA H 4.397 0.05 1 1236 210 213 PRO HB2 H 1.882 0.05 2 1237 210 213 PRO C C 175.112 0.50 1 1238 210 213 PRO CA C 62.459 0.50 1 1239 210 213 PRO CB C 30.757 0.50 1 1240 211 214 PHE H H 8.045 0.05 1 1241 211 214 PHE HA H 4.423 0.05 1 1242 211 214 PHE HB2 H 2.972 0.05 2 1243 211 214 PHE CA C 54.952 0.50 1 1244 211 214 PHE CB C 40.677 0.50 1 1245 211 214 PHE N N 120.680 0.50 1 1246 212 215 PRO HA H 4.410 0.05 1 1247 212 215 PRO HB2 H 2.211 0.05 2 1248 212 215 PRO HB3 H 1.855 0.05 2 1249 212 215 PRO C C 176.315 0.50 1 1250 212 215 PRO CA C 62.484 0.50 1 1251 212 215 PRO CB C 30.981 0.50 1 1252 213 216 SER H H 8.293 0.05 1 1253 213 216 SER HA H 4.487 0.05 1 1254 213 216 SER HB2 H 3.868 0.05 2 1255 213 216 SER CA C 55.933 0.50 1 1256 213 216 SER CB C 63.221 0.50 1 stop_ save_