data_26759 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments for the SET domain of the human methyltransferase NSD2 ; _BMRB_accession_number 26759 _BMRB_flat_file_name bmr26759.str _Entry_type original _Submission_date 2016-03-17 _Accession_date 2016-03-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Backbone HN, N, C, CA and side-chain CB resonance assignments for the SET domain of the human methyltransferase NSD2 [Y991-G1203]. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bobby Romel . . 2 Peciak Karolina . . 3 Milbradt Alexander G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 189 "13C chemical shifts" 584 "15N chemical shifts" 189 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-07-14 original author 'original release' stop_ _Original_release_date 2016-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments for the SET domain of the human methyltransferase NSD2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27368234 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bobby Romel . . 2 Peciak Karolina . . 3 Milbradt Alexander G. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 307 _Page_last 310 _Year 2016 _Details . loop_ _Keyword MMSET NSD2 'SET Domain' 'backbone assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NSD2 C16' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NSD2 C16' $NSD2_C16 stop_ _System_molecular_weight 24308.6269 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NSD2_C16 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NSD2_C16 _Molecular_mass 24308.6269 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; GSYKHIKVNKPYGKVQIYTA DISEIPKCNCKPTDENPCGF DSECLNRMLMFECHPQVCPA GEFCQNQCFTKRQYPETKII KTDGKGWGLVAKRDIRKGEF VNEYVGELIDEEECMARIKH AHENDITHFYMLTIDKDRII DAGPKGNYSRFMNHSCQPNC ETLKWTVNGDTRVGLFAVCD IPAGTELTFNYNLDCLGNEK TVCRCGASNCSGFLG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 TYR 4 LYS 5 HIS 6 ILE 7 LYS 8 VAL 9 ASN 10 LYS 11 PRO 12 TYR 13 GLY 14 LYS 15 VAL 16 GLN 17 ILE 18 TYR 19 THR 20 ALA 21 ASP 22 ILE 23 SER 24 GLU 25 ILE 26 PRO 27 LYS 28 CYS 29 ASN 30 CYS 31 LYS 32 PRO 33 THR 34 ASP 35 GLU 36 ASN 37 PRO 38 CYS 39 GLY 40 PHE 41 ASP 42 SER 43 GLU 44 CYS 45 LEU 46 ASN 47 ARG 48 MET 49 LEU 50 MET 51 PHE 52 GLU 53 CYS 54 HIS 55 PRO 56 GLN 57 VAL 58 CYS 59 PRO 60 ALA 61 GLY 62 GLU 63 PHE 64 CYS 65 GLN 66 ASN 67 GLN 68 CYS 69 PHE 70 THR 71 LYS 72 ARG 73 GLN 74 TYR 75 PRO 76 GLU 77 THR 78 LYS 79 ILE 80 ILE 81 LYS 82 THR 83 ASP 84 GLY 85 LYS 86 GLY 87 TRP 88 GLY 89 LEU 90 VAL 91 ALA 92 LYS 93 ARG 94 ASP 95 ILE 96 ARG 97 LYS 98 GLY 99 GLU 100 PHE 101 VAL 102 ASN 103 GLU 104 TYR 105 VAL 106 GLY 107 GLU 108 LEU 109 ILE 110 ASP 111 GLU 112 GLU 113 GLU 114 CYS 115 MET 116 ALA 117 ARG 118 ILE 119 LYS 120 HIS 121 ALA 122 HIS 123 GLU 124 ASN 125 ASP 126 ILE 127 THR 128 HIS 129 PHE 130 TYR 131 MET 132 LEU 133 THR 134 ILE 135 ASP 136 LYS 137 ASP 138 ARG 139 ILE 140 ILE 141 ASP 142 ALA 143 GLY 144 PRO 145 LYS 146 GLY 147 ASN 148 TYR 149 SER 150 ARG 151 PHE 152 MET 153 ASN 154 HIS 155 SER 156 CYS 157 GLN 158 PRO 159 ASN 160 CYS 161 GLU 162 THR 163 LEU 164 LYS 165 TRP 166 THR 167 VAL 168 ASN 169 GLY 170 ASP 171 THR 172 ARG 173 VAL 174 GLY 175 LEU 176 PHE 177 ALA 178 VAL 179 CYS 180 ASP 181 ILE 182 PRO 183 ALA 184 GLY 185 THR 186 GLU 187 LEU 188 THR 189 PHE 190 ASN 191 TYR 192 ASN 193 LEU 194 ASP 195 CYS 196 LEU 197 GLY 198 ASN 199 GLU 200 LYS 201 THR 202 VAL 203 CYS 204 ARG 205 CYS 206 GLY 207 ALA 208 SER 209 ASN 210 CYS 211 SER 212 GLY 213 PHE 214 LEU 215 GLY 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 $NSD2_C16 Human 9606 Eukaryota Metazoa Homo sapiens WHSC1 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 $NSD2_C16 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 (DE3) Gold' pET28a 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 $NSD2_C16 0.6 mM '[U-13C; U-15N; U-2H]' SAM 1.2 mM 'natural abundance' NaCl 100.0 mM 'natural abundance' TCEP 1.0 mM 'natural abundance' NaN3 1.0 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Spectrum display, Spectrum analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Topspin _Saveframe_category software _Name Topspin _Version 3.2.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'Spectrum acquisition' 'Spectrum display' stop_ _Details . save_ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectrum analysis' 'Spectrum display' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_HNCOCACB_(H[N[co[{CA|ca[C]}]]])_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ save_HNCOCA_(H[N[co[{CA|ca[C]}]]])_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCOCA (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.140 . M pH 7.500 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCA' '3D HNCACB' 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' 'HNCOCA (H[N[co[{CA|ca[C]}]]])' '3D HNCO' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NSD2 C16' _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 2 2 SER C C 173.356 0.115 1 2 2 2 SER CA C 57.982 0.014 1 3 2 2 SER CB C 63.453 0.022 1 4 3 3 TYR H H 7.956 0.002 1 5 3 3 TYR C C 172.760 0.115 1 6 3 3 TYR CA C 55.564 0.014 1 7 3 3 TYR CB C 39.624 0.022 1 8 3 3 TYR N N 120.965 0.054 1 9 4 4 LYS H H 7.846 0.002 1 10 4 4 LYS C C 174.109 0.115 1 11 4 4 LYS CA C 54.044 0.014 1 12 4 4 LYS CB C 32.300 0.022 1 13 4 4 LYS N N 122.461 0.054 1 14 5 5 HIS H H 8.400 0.002 1 15 5 5 HIS C C 176.583 0.115 1 16 5 5 HIS CA C 55.870 0.014 1 17 5 5 HIS CB C 30.396 0.022 1 18 5 5 HIS N N 129.630 0.054 1 19 6 6 ILE H H 8.108 0.002 1 20 6 6 ILE C C 174.006 0.115 1 21 6 6 ILE CA C 59.380 0.014 1 22 6 6 ILE CB C 40.802 0.022 1 23 6 6 ILE N N 124.349 0.054 1 24 7 7 LYS H H 8.445 0.002 1 25 7 7 LYS C C 177.815 0.115 1 26 7 7 LYS CA C 56.650 0.014 1 27 7 7 LYS CB C 34.366 0.022 1 28 7 7 LYS N N 115.448 0.054 1 29 8 8 VAL H H 7.193 0.002 1 30 8 8 VAL C C 173.443 0.115 1 31 8 8 VAL CA C 58.030 0.014 1 32 8 8 VAL CB C 35.244 0.022 1 33 8 8 VAL N N 113.734 0.054 1 34 9 9 ASN H H 8.699 0.002 1 35 9 9 ASN C C 175.940 0.115 1 36 9 9 ASN CA C 53.768 0.014 1 37 9 9 ASN CB C 38.399 0.022 1 38 9 9 ASN N N 119.483 0.054 1 39 10 10 LYS H H 7.979 0.002 1 40 10 10 LYS CA C 55.277 0.014 1 41 10 10 LYS CB C 33.703 0.022 1 42 10 10 LYS N N 120.502 0.054 1 43 11 11 PRO C C 174.987 0.115 1 44 11 11 PRO CA C 63.331 0.014 1 45 11 11 PRO CB C 31.528 0.022 1 46 12 12 TYR H H 8.937 0.002 1 47 12 12 TYR C C 176.688 0.115 1 48 12 12 TYR CA C 56.983 0.014 1 49 12 12 TYR CB C 41.597 0.022 1 50 12 12 TYR N N 126.865 0.054 1 51 13 13 GLY H H 8.112 0.002 1 52 13 13 GLY C C 175.811 0.115 1 53 13 13 GLY CA C 45.722 0.014 1 54 13 13 GLY N N 117.039 0.054 1 55 14 14 LYS H H 9.165 0.002 1 56 14 14 LYS C C 176.771 0.115 1 57 14 14 LYS CA C 56.041 0.014 1 58 14 14 LYS CB C 31.427 0.022 1 59 14 14 LYS N N 126.482 0.054 1 60 15 15 VAL H H 7.312 0.002 1 61 15 15 VAL C C 174.395 0.115 1 62 15 15 VAL CA C 63.290 0.014 1 63 15 15 VAL CB C 31.261 0.022 1 64 15 15 VAL N N 121.788 0.054 1 65 16 16 GLN H H 8.292 0.002 1 66 16 16 GLN C C 174.730 0.115 1 67 16 16 GLN CA C 53.925 0.014 1 68 16 16 GLN CB C 31.176 0.022 1 69 16 16 GLN N N 124.346 0.054 1 70 17 17 ILE H H 8.009 0.002 1 71 17 17 ILE C C 175.625 0.115 1 72 17 17 ILE CA C 59.804 0.014 1 73 17 17 ILE CB C 39.253 0.022 1 74 17 17 ILE N N 119.887 0.054 1 75 18 18 TYR H H 8.723 0.002 1 76 18 18 TYR C C 174.518 0.115 1 77 18 18 TYR CA C 57.280 0.014 1 78 18 18 TYR CB C 38.965 0.022 1 79 18 18 TYR N N 128.784 0.054 1 80 19 19 THR H H 7.939 0.002 1 81 19 19 THR C C 173.310 0.115 1 82 19 19 THR CA C 60.234 0.014 1 83 19 19 THR CB C 70.154 0.022 1 84 19 19 THR N N 116.871 0.054 1 85 20 20 ALA H H 7.543 0.002 1 86 20 20 ALA C C 177.574 0.115 1 87 20 20 ALA CA C 50.821 0.014 1 88 20 20 ALA CB C 19.145 0.022 1 89 20 20 ALA N N 126.481 0.054 1 90 21 21 ASP H H 8.426 0.002 1 91 21 21 ASP C C 177.677 0.115 1 92 21 21 ASP CA C 53.627 0.014 1 93 21 21 ASP CB C 42.690 0.022 1 94 21 21 ASP N N 122.034 0.054 1 95 22 22 ILE H H 8.269 0.002 1 96 22 22 ILE C C 177.219 0.115 1 97 22 22 ILE CA C 63.662 0.014 1 98 22 22 ILE CB C 36.689 0.022 1 99 22 22 ILE N N 123.719 0.054 1 100 23 23 SER H H 8.192 0.002 1 101 23 23 SER C C 175.371 0.115 1 102 23 23 SER CA C 60.091 0.014 1 103 23 23 SER CB C 62.576 0.022 1 104 23 23 SER N N 115.277 0.054 1 105 24 24 GLU H H 7.976 0.002 1 106 24 24 GLU C C 176.620 0.115 1 107 24 24 GLU CA C 55.241 0.014 1 108 24 24 GLU CB C 30.037 0.022 1 109 24 24 GLU N N 120.579 0.054 1 110 25 25 ILE H H 7.217 0.002 1 111 25 25 ILE CA C 58.340 0.014 1 112 25 25 ILE CB C 37.501 0.022 1 113 25 25 ILE N N 125.079 0.054 1 114 26 26 PRO C C 175.041 0.115 1 115 26 26 PRO CA C 62.888 0.014 1 116 26 26 PRO CB C 30.780 0.022 1 117 27 27 LYS H H 8.249 0.002 1 118 27 27 LYS C C 176.462 0.115 1 119 27 27 LYS CA C 54.140 0.014 1 120 27 27 LYS CB C 34.724 0.022 1 121 27 27 LYS N N 123.058 0.054 1 122 28 28 CYS H H 8.647 0.002 1 123 28 28 CYS C C 172.207 0.115 1 124 28 28 CYS CA C 57.249 0.014 1 125 28 28 CYS CB C 30.327 0.022 1 126 28 28 CYS N N 126.377 0.054 1 127 29 29 ASN H H 8.424 0.002 1 128 29 29 ASN C C 176.223 0.115 1 129 29 29 ASN CA C 51.602 0.014 1 130 29 29 ASN CB C 39.573 0.022 1 131 29 29 ASN N N 113.504 0.054 1 132 30 30 CYS H H 9.382 0.002 1 133 30 30 CYS C C 173.777 0.115 1 134 30 30 CYS CA C 61.782 0.014 1 135 30 30 CYS CB C 30.235 0.022 1 136 30 30 CYS N N 126.814 0.054 1 137 31 31 LYS H H 8.061 0.002 1 138 31 31 LYS CA C 52.348 0.014 1 139 31 31 LYS CB C 33.081 0.022 1 140 31 31 LYS N N 118.194 0.054 1 141 32 32 PRO C C 175.491 0.115 1 142 32 32 PRO CA C 64.142 0.014 1 143 32 32 PRO CB C 31.459 0.022 1 144 33 33 THR H H 6.458 0.002 1 145 33 33 THR C C 175.380 0.115 1 146 33 33 THR CA C 60.040 0.014 1 147 33 33 THR CB C 68.387 0.022 1 148 33 33 THR N N 101.764 0.054 1 149 34 34 ASP H H 7.285 0.002 1 150 34 34 ASP C C 175.227 0.115 1 151 34 34 ASP CA C 54.352 0.014 1 152 34 34 ASP CB C 40.002 0.022 1 153 34 34 ASP N N 123.994 0.054 1 154 35 35 GLU H H 8.614 0.002 1 155 35 35 GLU C C 177.074 0.115 1 156 35 35 GLU CA C 58.563 0.014 1 157 35 35 GLU CB C 28.985 0.022 1 158 35 35 GLU N N 120.811 0.054 1 159 36 36 ASN H H 8.540 0.002 1 160 36 36 ASN CA C 51.549 0.014 1 161 36 36 ASN CB C 38.879 0.022 1 162 36 36 ASN N N 117.261 0.054 1 163 37 37 PRO C C 177.170 0.115 1 164 37 37 PRO CA C 63.439 0.014 1 165 37 37 PRO CB C 30.714 0.022 1 166 38 38 CYS H H 8.329 0.002 1 167 38 38 CYS C C 176.339 0.115 1 168 38 38 CYS CA C 57.892 0.014 1 169 38 38 CYS CB C 31.660 0.022 1 170 38 38 CYS N N 119.290 0.054 1 171 39 39 GLY H H 8.450 0.002 1 172 39 39 GLY C C 176.402 0.115 1 173 39 39 GLY CA C 44.514 0.014 1 174 39 39 GLY N N 105.829 0.054 1 175 40 40 PHE H H 8.814 0.002 1 176 40 40 PHE C C 176.125 0.115 1 177 40 40 PHE CA C 60.715 0.014 1 178 40 40 PHE CB C 38.327 0.022 1 179 40 40 PHE N N 121.370 0.054 1 180 41 41 ASP H H 8.562 0.002 1 181 41 41 ASP C C 175.631 0.115 1 182 41 41 ASP CA C 53.367 0.014 1 183 41 41 ASP CB C 39.602 0.022 1 184 41 41 ASP N N 119.203 0.054 1 185 42 42 SER H H 7.568 0.002 1 186 42 42 SER C C 174.684 0.115 1 187 42 42 SER CA C 58.401 0.014 1 188 42 42 SER CB C 65.678 0.022 1 189 42 42 SER N N 116.066 0.054 1 190 43 43 GLU H H 8.680 0.002 1 191 43 43 GLU C C 174.912 0.115 1 192 43 43 GLU CA C 55.114 0.014 1 193 43 43 GLU CB C 27.528 0.022 1 194 43 43 GLU N N 120.122 0.054 1 195 44 44 CYS H H 7.411 0.002 1 196 44 44 CYS C C 177.854 0.115 1 197 44 44 CYS CA C 60.201 0.014 1 198 44 44 CYS CB C 31.554 0.022 1 199 44 44 CYS N N 120.893 0.054 1 200 45 45 LEU H H 8.877 0.002 1 201 45 45 LEU C C 178.905 0.115 1 202 45 45 LEU CA C 57.541 0.014 1 203 45 45 LEU CB C 42.492 0.022 1 204 45 45 LEU N N 132.214 0.054 1 205 46 46 ASN H H 8.366 0.002 1 206 46 46 ASN C C 178.029 0.115 1 207 46 46 ASN CA C 55.145 0.014 1 208 46 46 ASN CB C 35.743 0.022 1 209 46 46 ASN N N 119.628 0.054 1 210 47 47 ARG H H 7.759 0.002 1 211 47 47 ARG C C 180.086 0.115 1 212 47 47 ARG CA C 59.948 0.014 1 213 47 47 ARG CB C 29.453 0.022 1 214 47 47 ARG N N 123.650 0.054 1 215 48 48 MET H H 8.016 0.002 1 216 48 48 MET C C 177.288 0.115 1 217 48 48 MET CA C 58.230 0.014 1 218 48 48 MET CB C 31.871 0.022 1 219 48 48 MET N N 118.015 0.054 1 220 49 49 LEU H H 7.077 0.002 1 221 49 49 LEU C C 174.876 0.115 1 222 49 49 LEU CA C 53.673 0.014 1 223 49 49 LEU CB C 41.226 0.022 1 224 49 49 LEU N N 118.337 0.054 1 225 50 50 MET H H 7.390 0.002 1 226 50 50 MET C C 174.066 0.115 1 227 50 50 MET CA C 56.106 0.014 1 228 50 50 MET CB C 26.755 0.022 1 229 50 50 MET N N 114.828 0.054 1 230 51 51 PHE H H 7.975 0.002 1 231 51 51 PHE C C 175.780 0.115 1 232 51 51 PHE CA C 55.157 0.014 1 233 51 51 PHE CB C 39.646 0.022 1 234 51 51 PHE N N 118.078 0.054 1 235 52 52 GLU H H 7.958 0.002 1 236 52 52 GLU C C 176.787 0.115 1 237 52 52 GLU CA C 56.652 0.014 1 238 52 52 GLU CB C 31.493 0.022 1 239 52 52 GLU N N 124.330 0.054 1 240 53 53 CYS H H 8.023 0.002 1 241 53 53 CYS C C 174.179 0.115 1 242 53 53 CYS CA C 61.232 0.014 1 243 53 53 CYS CB C 33.217 0.022 1 244 53 53 CYS N N 129.381 0.054 1 245 54 54 HIS H H 8.620 0.002 1 246 54 54 HIS CA C 53.057 0.014 1 247 54 54 HIS CB C 34.388 0.022 1 248 54 54 HIS N N 121.516 0.054 1 249 55 55 PRO C C 178.760 0.115 1 250 55 55 PRO CA C 64.170 0.014 1 251 55 55 PRO CB C 31.316 0.022 1 252 56 56 GLN H H 10.969 0.002 1 253 56 56 GLN C C 175.710 0.115 1 254 56 56 GLN CA C 56.281 0.014 1 255 56 56 GLN CB C 28.567 0.022 1 256 56 56 GLN N N 121.291 0.054 1 257 57 57 VAL H H 7.873 0.002 1 258 57 57 VAL C C 175.562 0.115 1 259 57 57 VAL CA C 62.528 0.014 1 260 57 57 VAL CB C 33.877 0.022 1 261 57 57 VAL N N 119.332 0.054 1 262 58 58 CYS H H 8.054 0.002 1 263 58 58 CYS CA C 58.058 0.014 1 264 58 58 CYS CB C 29.028 0.022 1 265 58 58 CYS N N 122.929 0.054 1 266 59 59 PRO C C 178.134 0.115 1 267 59 59 PRO CA C 64.199 0.014 1 268 59 59 PRO CB C 31.351 0.022 1 269 60 60 ALA H H 9.506 0.002 1 270 60 60 ALA C C 177.600 0.115 1 271 60 60 ALA CA C 52.195 0.014 1 272 60 60 ALA CB C 18.127 0.022 1 273 60 60 ALA N N 124.658 0.054 1 274 61 61 GLY H H 7.840 0.002 1 275 61 61 GLY C C 176.695 0.115 1 276 61 61 GLY CA C 46.519 0.014 1 277 61 61 GLY N N 107.619 0.054 1 278 62 62 GLU H H 9.262 0.002 1 279 62 62 GLU C C 176.358 0.115 1 280 62 62 GLU CA C 57.321 0.014 1 281 62 62 GLU CB C 28.139 0.022 1 282 62 62 GLU N N 126.160 0.054 1 283 63 63 PHE H H 7.877 0.002 1 284 63 63 PHE C C 174.710 0.115 1 285 63 63 PHE CA C 57.480 0.014 1 286 63 63 PHE CB C 38.568 0.022 1 287 63 63 PHE N N 118.339 0.054 1 288 64 64 CYS H H 7.077 0.002 1 289 64 64 CYS C C 178.094 0.115 1 290 64 64 CYS CA C 61.441 0.014 1 291 64 64 CYS CB C 30.539 0.022 1 292 64 64 CYS N N 122.214 0.054 1 293 65 65 GLN H H 8.268 0.002 1 294 65 65 GLN C C 175.149 0.115 1 295 65 65 GLN CA C 55.113 0.014 1 296 65 65 GLN CB C 26.914 0.022 1 297 65 65 GLN N N 129.031 0.054 1 298 66 66 ASN H H 9.943 0.002 1 299 66 66 ASN C C 174.214 0.115 1 300 66 66 ASN CA C 51.650 0.014 1 301 66 66 ASN CB C 39.153 0.022 1 302 66 66 ASN N N 126.847 0.054 1 303 67 67 GLN H H 7.938 0.002 1 304 67 67 GLN C C 175.695 0.115 1 305 67 67 GLN CA C 54.632 0.014 1 306 67 67 GLN CB C 28.308 0.022 1 307 67 67 GLN N N 120.134 0.054 1 308 68 68 CYS H H 7.840 0.002 1 309 68 68 CYS C C 178.130 0.115 1 310 68 68 CYS CA C 61.573 0.014 1 311 68 68 CYS CB C 26.853 0.022 1 312 68 68 CYS N N 117.693 0.054 1 313 69 69 PHE H H 10.586 0.002 1 314 69 69 PHE C C 182.168 0.115 1 315 69 69 PHE CA C 60.179 0.014 1 316 69 69 PHE CB C 37.257 0.022 1 317 69 69 PHE N N 119.351 0.054 1 318 70 70 THR H H 10.163 0.002 1 319 70 70 THR C C 176.378 0.115 1 320 70 70 THR CA C 66.759 0.014 1 321 70 70 THR CB C 68.102 0.022 1 322 70 70 THR N N 121.508 0.054 1 323 71 71 LYS H H 7.975 0.002 1 324 71 71 LYS C C 175.665 0.115 1 325 71 71 LYS CA C 57.534 0.014 1 326 71 71 LYS CB C 31.741 0.022 1 327 71 71 LYS N N 117.824 0.054 1 328 72 72 ARG H H 7.291 0.002 1 329 72 72 ARG C C 175.003 0.115 1 330 72 72 ARG CA C 56.424 0.014 1 331 72 72 ARG CB C 26.183 0.022 1 332 72 72 ARG N N 116.294 0.054 1 333 73 73 GLN H H 7.742 0.002 1 334 73 73 GLN C C 174.535 0.115 1 335 73 73 GLN CA C 54.171 0.014 1 336 73 73 GLN CB C 27.033 0.022 1 337 73 73 GLN N N 119.548 0.054 1 338 74 74 TYR H H 7.352 0.002 1 339 74 74 TYR CA C 51.334 0.014 1 340 74 74 TYR CB C 37.064 0.022 1 341 74 74 TYR N N 124.219 0.054 1 342 75 75 PRO C C 175.533 0.115 1 343 75 75 PRO CA C 62.256 0.014 1 344 75 75 PRO CB C 30.664 0.022 1 345 76 76 GLU H H 8.736 0.002 1 346 76 76 GLU C C 176.667 0.115 1 347 76 76 GLU CA C 57.537 0.014 1 348 76 76 GLU CB C 29.453 0.022 1 349 76 76 GLU N N 123.991 0.054 1 350 77 77 THR H H 8.015 0.002 1 351 77 77 THR C C 173.644 0.115 1 352 77 77 THR CA C 59.116 0.014 1 353 77 77 THR CB C 73.313 0.022 1 354 77 77 THR N N 113.500 0.054 1 355 78 78 LYS H H 8.663 0.002 1 356 78 78 LYS C C 173.703 0.115 1 357 78 78 LYS CA C 54.522 0.014 1 358 78 78 LYS CB C 35.347 0.022 1 359 78 78 LYS N N 118.441 0.054 1 360 79 79 ILE H H 8.034 0.002 1 361 79 79 ILE C C 176.803 0.115 1 362 79 79 ILE CA C 60.486 0.014 1 363 79 79 ILE CB C 37.795 0.022 1 364 79 79 ILE N N 124.089 0.054 1 365 80 80 ILE H H 8.543 0.002 1 366 80 80 ILE C C 175.120 0.115 1 367 80 80 ILE CA C 58.503 0.014 1 368 80 80 ILE CB C 41.605 0.022 1 369 80 80 ILE N N 120.324 0.054 1 370 81 81 LYS H H 8.622 0.002 1 371 81 81 LYS C C 176.251 0.115 1 372 81 81 LYS CA C 56.155 0.014 1 373 81 81 LYS CB C 31.639 0.022 1 374 81 81 LYS N N 123.764 0.054 1 375 82 82 THR H H 7.768 0.002 1 376 82 82 THR CA C 59.561 0.014 1 377 82 82 THR CB C 70.499 0.022 1 378 82 82 THR N N 115.634 0.054 1 379 84 84 GLY C C 174.392 0.115 1 380 84 84 GLY CA C 45.260 0.014 1 381 85 85 LYS H H 6.865 0.002 1 382 85 85 LYS C C 175.373 0.115 1 383 85 85 LYS CA C 54.386 0.014 1 384 85 85 LYS CB C 30.546 0.022 1 385 85 85 LYS N N 115.984 0.054 1 386 86 86 GLY H H 8.095 0.002 1 387 86 86 GLY C C 175.099 0.115 1 388 86 86 GLY CA C 44.192 0.014 1 389 86 86 GLY N N 108.426 0.054 1 390 87 87 TRP H H 9.286 0.002 1 391 87 87 TRP C C 177.498 0.115 1 392 87 87 TRP CA C 56.491 0.014 1 393 87 87 TRP CB C 31.013 0.022 1 394 87 87 TRP N N 128.737 0.054 1 395 88 88 GLY H H 9.521 0.002 1 396 88 88 GLY C C 171.317 0.115 1 397 88 88 GLY CA C 44.358 0.014 1 398 88 88 GLY N N 111.642 0.054 1 399 89 89 LEU H H 8.661 0.002 1 400 89 89 LEU CA C 53.126 0.014 1 401 89 89 LEU CB C 47.532 0.022 1 402 89 89 LEU N N 123.317 0.054 1 403 95 95 ILE C C 175.477 0.115 1 404 95 95 ILE CA C 59.614 0.014 1 405 95 95 ILE CB C 40.511 0.022 1 406 96 96 ARG H H 9.580 0.002 1 407 96 96 ARG C C 175.364 0.115 1 408 96 96 ARG CA C 54.457 0.014 1 409 96 96 ARG CB C 31.113 0.022 1 410 96 96 ARG N N 130.879 0.054 1 411 97 97 LYS H H 8.583 0.002 1 412 97 97 LYS C C 176.385 0.115 1 413 97 97 LYS CA C 58.778 0.014 1 414 97 97 LYS CB C 31.704 0.022 1 415 97 97 LYS N N 121.747 0.054 1 416 98 98 GLY H H 8.270 0.002 1 417 98 98 GLY C C 174.213 0.115 1 418 98 98 GLY CA C 44.440 0.014 1 419 98 98 GLY N N 115.608 0.054 1 420 99 99 GLU H H 8.114 0.002 1 421 99 99 GLU C C 175.962 0.115 1 422 99 99 GLU CA C 58.194 0.014 1 423 99 99 GLU CB C 30.415 0.022 1 424 99 99 GLU N N 119.587 0.054 1 425 100 100 PHE H H 7.662 0.002 1 426 100 100 PHE C C 174.180 0.115 1 427 100 100 PHE CA C 57.168 0.014 1 428 100 100 PHE CB C 38.996 0.022 1 429 100 100 PHE N N 122.081 0.054 1 430 101 101 VAL H H 8.622 0.002 1 431 101 101 VAL C C 174.448 0.115 1 432 101 101 VAL CA C 62.323 0.014 1 433 101 101 VAL CB C 32.329 0.022 1 434 101 101 VAL N N 126.862 0.054 1 435 102 102 ASN H H 6.580 0.002 1 436 102 102 ASN CA C 51.615 0.014 1 437 102 102 ASN CB C 42.279 0.022 1 438 102 102 ASN N N 114.584 0.054 1 439 103 103 GLU C C 174.242 0.115 1 440 103 103 GLU CA C 53.430 0.014 1 441 103 103 GLU CB C 31.716 0.022 1 442 104 104 TYR H H 8.623 0.002 1 443 104 104 TYR C C 173.362 0.115 1 444 104 104 TYR CA C 57.655 0.014 1 445 104 104 TYR CB C 37.399 0.022 1 446 104 104 TYR N N 130.723 0.054 1 447 105 105 VAL H H 5.797 0.002 1 448 105 105 VAL C C 175.281 0.115 1 449 105 105 VAL CA C 57.850 0.014 1 450 105 105 VAL CB C 34.277 0.022 1 451 105 105 VAL N N 124.037 0.054 1 452 106 106 GLY H H 8.281 0.002 1 453 106 106 GLY C C 172.612 0.115 1 454 106 106 GLY CA C 46.150 0.014 1 455 106 106 GLY N N 107.868 0.054 1 456 107 107 GLU H H 8.191 0.002 1 457 107 107 GLU C C 175.261 0.115 1 458 107 107 GLU CA C 55.423 0.014 1 459 107 107 GLU CB C 31.050 0.022 1 460 107 107 GLU N N 121.605 0.054 1 461 108 108 LEU H H 8.407 0.002 1 462 108 108 LEU C C 174.524 0.115 1 463 108 108 LEU CA C 53.644 0.014 1 464 108 108 LEU CB C 43.495 0.022 1 465 108 108 LEU N N 128.643 0.054 1 466 109 109 ILE H H 9.490 0.002 1 467 109 109 ILE C C 174.173 0.115 1 468 109 109 ILE CA C 58.545 0.014 1 469 109 109 ILE CB C 40.997 0.022 1 470 109 109 ILE N N 118.628 0.054 1 471 110 110 ASP H H 8.196 0.002 1 472 110 110 ASP C C 176.511 0.115 1 473 110 110 ASP CA C 50.554 0.014 1 474 110 110 ASP CB C 40.935 0.022 1 475 110 110 ASP N N 119.330 0.054 1 476 111 111 GLU H H 8.515 0.002 1 477 111 111 GLU C C 178.451 0.115 1 478 111 111 GLU CA C 60.092 0.014 1 479 111 111 GLU CB C 29.080 0.022 1 480 111 111 GLU N N 118.672 0.054 1 481 112 112 GLU H H 8.368 0.002 1 482 112 112 GLU C C 179.529 0.115 1 483 112 112 GLU CA C 59.411 0.014 1 484 112 112 GLU CB C 28.799 0.022 1 485 112 112 GLU N N 120.680 0.054 1 486 113 113 GLU H H 8.498 0.002 1 487 113 113 GLU C C 178.079 0.115 1 488 113 113 GLU CA C 57.903 0.014 1 489 113 113 GLU CB C 28.046 0.022 1 490 113 113 GLU N N 123.423 0.054 1 491 114 114 CYS H H 8.814 0.002 1 492 114 114 CYS C C 176.438 0.115 1 493 114 114 CYS CA C 62.853 0.014 1 494 114 114 CYS CB C 26.274 0.022 1 495 114 114 CYS N N 121.156 0.054 1 496 115 115 MET H H 8.680 0.002 1 497 115 115 MET C C 179.597 0.115 1 498 115 115 MET CA C 57.774 0.014 1 499 115 115 MET CB C 30.810 0.022 1 500 115 115 MET N N 117.138 0.054 1 501 116 116 ALA H H 7.858 0.002 1 502 116 116 ALA C C 181.146 0.115 1 503 116 116 ALA CA C 54.938 0.014 1 504 116 116 ALA CB C 17.178 0.022 1 505 116 116 ALA N N 123.767 0.054 1 506 117 117 ARG H H 8.382 0.002 1 507 117 117 ARG C C 180.629 0.115 1 508 117 117 ARG CA C 59.572 0.014 1 509 117 117 ARG CB C 29.857 0.022 1 510 117 117 ARG N N 120.970 0.054 1 511 118 118 ILE H H 8.722 0.002 1 512 118 118 ILE C C 177.135 0.115 1 513 118 118 ILE CA C 65.718 0.014 1 514 118 118 ILE CB C 36.964 0.022 1 515 118 118 ILE N N 123.674 0.054 1 516 119 119 LYS H H 7.994 0.002 1 517 119 119 LYS C C 179.088 0.115 1 518 119 119 LYS CA C 59.470 0.014 1 519 119 119 LYS CB C 31.572 0.022 1 520 119 119 LYS N N 120.956 0.054 1 521 120 120 HIS H H 8.070 0.002 1 522 120 120 HIS C C 178.243 0.115 1 523 120 120 HIS CA C 59.476 0.014 1 524 120 120 HIS CB C 29.964 0.022 1 525 120 120 HIS N N 118.209 0.054 1 526 121 121 ALA H H 8.205 0.002 1 527 121 121 ALA C C 180.689 0.115 1 528 121 121 ALA CA C 55.049 0.014 1 529 121 121 ALA CB C 17.909 0.022 1 530 121 121 ALA N N 123.475 0.054 1 531 122 122 HIS H H 8.522 0.002 1 532 122 122 HIS C C 179.609 0.115 1 533 122 122 HIS CA C 58.025 0.014 1 534 122 122 HIS CB C 29.342 0.022 1 535 122 122 HIS N N 117.634 0.054 1 536 123 123 GLU H H 8.138 0.002 1 537 123 123 GLU C C 177.084 0.115 1 538 123 123 GLU CA C 57.830 0.014 1 539 123 123 GLU CB C 28.981 0.022 1 540 123 123 GLU N N 119.201 0.054 1 541 124 124 ASN H H 7.485 0.002 1 542 124 124 ASN C C 172.939 0.115 1 543 124 124 ASN CA C 53.173 0.014 1 544 124 124 ASN CB C 39.162 0.022 1 545 124 124 ASN N N 116.520 0.054 1 546 125 125 ASP H H 7.825 0.002 1 547 125 125 ASP C C 174.698 0.115 1 548 125 125 ASP CA C 55.378 0.014 1 549 125 125 ASP CB C 38.745 0.022 1 550 125 125 ASP N N 117.191 0.054 1 551 126 126 ILE H H 8.071 0.002 1 552 126 126 ILE C C 176.088 0.115 1 553 126 126 ILE CA C 60.520 0.014 1 554 126 126 ILE CB C 36.381 0.022 1 555 126 126 ILE N N 120.954 0.054 1 556 127 127 THR H H 8.113 0.002 1 557 127 127 THR C C 173.712 0.115 1 558 127 127 THR CA C 62.008 0.014 1 559 127 127 THR CB C 69.073 0.022 1 560 127 127 THR N N 117.049 0.054 1 561 128 128 HIS H H 6.961 0.002 1 562 128 128 HIS C C 173.054 0.115 1 563 128 128 HIS CA C 54.645 0.014 1 564 128 128 HIS CB C 32.803 0.022 1 565 128 128 HIS N N 119.692 0.054 1 566 129 129 PHE H H 7.536 0.002 1 567 129 129 PHE C C 175.432 0.115 1 568 129 129 PHE CA C 57.460 0.014 1 569 129 129 PHE CB C 42.855 0.022 1 570 129 129 PHE N N 119.591 0.054 1 571 130 130 TYR H H 9.364 0.002 1 572 130 130 TYR C C 178.237 0.115 1 573 130 130 TYR CA C 56.168 0.014 1 574 130 130 TYR CB C 39.305 0.022 1 575 130 130 TYR N N 118.338 0.054 1 576 131 131 MET H H 8.176 0.002 1 577 131 131 MET C C 175.675 0.115 1 578 131 131 MET CA C 55.022 0.014 1 579 131 131 MET CB C 33.853 0.022 1 580 131 131 MET N N 125.629 0.054 1 581 132 132 LEU H H 9.483 0.002 1 582 132 132 LEU C C 175.476 0.115 1 583 132 132 LEU CA C 55.184 0.014 1 584 132 132 LEU CB C 45.469 0.022 1 585 132 132 LEU N N 129.341 0.054 1 586 133 133 THR H H 9.016 0.002 1 587 133 133 THR C C 174.180 0.115 1 588 133 133 THR CA C 64.349 0.014 1 589 133 133 THR CB C 69.265 0.022 1 590 133 133 THR N N 124.211 0.054 1 591 134 134 ILE H H 8.667 0.002 1 592 134 134 ILE C C 175.057 0.115 1 593 134 134 ILE CA C 63.662 0.014 1 594 134 134 ILE CB C 37.920 0.022 1 595 134 134 ILE N N 124.175 0.054 1 596 135 135 ASP H H 8.434 0.002 1 597 135 135 ASP C C 175.335 0.115 1 598 135 135 ASP CA C 52.251 0.014 1 599 135 135 ASP CB C 41.135 0.022 1 600 135 135 ASP N N 119.455 0.054 1 601 136 136 LYS H H 8.346 0.002 1 602 136 136 LYS CA C 57.965 0.014 1 603 136 136 LYS CB C 30.931 0.022 1 604 136 136 LYS N N 117.473 0.054 1 605 137 137 ASP C C 175.669 0.115 1 606 138 138 ARG H H 7.804 0.002 1 607 138 138 ARG C C 173.044 0.115 1 608 138 138 ARG CA C 55.983 0.014 1 609 138 138 ARG CB C 32.873 0.022 1 610 138 138 ARG N N 118.750 0.054 1 611 139 139 ILE H H 9.538 0.002 1 612 139 139 ILE C C 173.788 0.115 1 613 139 139 ILE CA C 60.465 0.014 1 614 139 139 ILE CB C 42.005 0.022 1 615 139 139 ILE N N 127.546 0.054 1 616 140 140 ILE H H 9.297 0.002 1 617 140 140 ILE C C 175.033 0.115 1 618 140 140 ILE CA C 60.947 0.014 1 619 140 140 ILE CB C 38.303 0.022 1 620 140 140 ILE N N 126.418 0.054 1 621 141 141 ASP H H 9.701 0.002 1 622 141 141 ASP C C 176.491 0.115 1 623 141 141 ASP CA C 52.234 0.014 1 624 141 141 ASP CB C 41.512 0.022 1 625 141 141 ASP N N 126.999 0.054 1 626 142 142 ALA H H 8.126 0.002 1 627 142 142 ALA C C 176.486 0.115 1 628 142 142 ALA CA C 50.688 0.014 1 629 142 142 ALA CB C 17.654 0.022 1 630 142 142 ALA N N 128.581 0.054 1 631 143 143 GLY H H 8.772 0.002 1 632 143 143 GLY CA C 46.941 0.014 1 633 143 143 GLY N N 109.266 0.054 1 634 144 144 PRO C C 178.142 0.115 1 635 144 144 PRO CA C 63.255 0.014 1 636 144 144 PRO CB C 31.882 0.022 1 637 145 145 LYS H H 6.661 0.002 1 638 145 145 LYS C C 172.635 0.115 1 639 145 145 LYS CA C 53.290 0.014 1 640 145 145 LYS CB C 35.487 0.022 1 641 145 145 LYS N N 115.140 0.054 1 642 146 146 GLY H H 8.093 0.002 1 643 146 146 GLY C C 170.971 0.115 1 644 146 146 GLY CA C 45.191 0.014 1 645 146 146 GLY N N 104.813 0.054 1 646 147 147 ASN H H 8.678 0.002 1 647 147 147 ASN C C 176.372 0.115 1 648 147 147 ASN CA C 50.475 0.014 1 649 147 147 ASN CB C 37.578 0.022 1 650 147 147 ASN N N 122.703 0.054 1 651 148 148 TYR H H 7.980 0.002 1 652 148 148 TYR C C 177.990 0.115 1 653 148 148 TYR CA C 61.249 0.014 1 654 148 148 TYR CB C 35.565 0.022 1 655 148 148 TYR N N 112.720 0.054 1 656 149 149 SER H H 8.264 0.002 1 657 149 149 SER C C 176.051 0.115 1 658 149 149 SER CA C 61.579 0.014 1 659 149 149 SER N N 114.136 0.054 1 660 150 150 ARG H H 7.006 0.002 1 661 150 150 ARG C C 174.800 0.115 1 662 150 150 ARG CA C 57.074 0.014 1 663 150 150 ARG CB C 28.785 0.022 1 664 150 150 ARG N N 122.242 0.054 1 665 151 151 PHE H H 7.664 0.002 1 666 151 151 PHE C C 174.119 0.115 1 667 151 151 PHE CA C 59.149 0.014 1 668 151 151 PHE CB C 38.468 0.022 1 669 151 151 PHE N N 115.899 0.054 1 670 152 152 MET H H 7.507 0.002 1 671 152 152 MET C C 178.013 0.115 1 672 152 152 MET CA C 56.954 0.014 1 673 152 152 MET CB C 32.714 0.022 1 674 152 152 MET N N 114.898 0.054 1 675 153 153 ASN H H 9.591 0.002 1 676 153 153 ASN C C 172.067 0.115 1 677 153 153 ASN CA C 53.056 0.014 1 678 153 153 ASN CB C 38.648 0.022 1 679 153 153 ASN N N 126.867 0.054 1 680 154 154 HIS H H 9.598 0.002 1 681 154 154 HIS C C 180.321 0.115 1 682 154 154 HIS CA C 56.016 0.014 1 683 154 154 HIS CB C 30.016 0.022 1 684 154 154 HIS N N 120.026 0.054 1 685 155 155 SER H H 6.634 0.002 1 686 155 155 SER C C 171.497 0.115 1 687 155 155 SER CA C 55.551 0.014 1 688 155 155 SER CB C 64.405 0.022 1 689 155 155 SER N N 119.952 0.054 1 690 156 156 CYS H H 8.824 0.002 1 691 156 156 CYS C C 176.060 0.115 1 692 156 156 CYS CA C 61.758 0.014 1 693 156 156 CYS CB C 28.530 0.022 1 694 156 156 CYS N N 128.253 0.054 1 695 157 157 GLN H H 8.411 0.002 1 696 157 157 GLN CA C 52.701 0.014 1 697 157 157 GLN CB C 28.740 0.022 1 698 157 157 GLN N N 121.346 0.054 1 699 158 158 PRO C C 176.468 0.115 1 700 158 158 PRO CA C 62.288 0.014 1 701 158 158 PRO CB C 32.838 0.022 1 702 159 159 ASN H H 7.290 0.002 1 703 159 159 ASN C C 175.818 0.115 1 704 159 159 ASN CA C 51.770 0.014 1 705 159 159 ASN CB C 38.517 0.022 1 706 159 159 ASN N N 111.854 0.054 1 707 160 160 CYS H H 8.624 0.002 1 708 160 160 CYS C C 173.396 0.115 1 709 160 160 CYS CA C 57.615 0.014 1 710 160 160 CYS CB C 31.839 0.022 1 711 160 160 CYS N N 119.039 0.054 1 712 161 161 GLU H H 9.480 0.002 1 713 161 161 GLU C C 174.709 0.115 1 714 161 161 GLU CA C 53.426 0.014 1 715 161 161 GLU CB C 32.030 0.022 1 716 161 161 GLU N N 117.943 0.054 1 717 162 162 THR H H 8.564 0.002 1 718 162 162 THR C C 175.429 0.115 1 719 162 162 THR CA C 58.670 0.014 1 720 162 162 THR CB C 69.316 0.022 1 721 162 162 THR N N 112.865 0.054 1 722 163 163 LEU H H 9.270 0.002 1 723 163 163 LEU C C 176.515 0.115 1 724 163 163 LEU CA C 53.930 0.014 1 725 163 163 LEU CB C 45.733 0.022 1 726 163 163 LEU N N 122.846 0.054 1 727 164 164 LYS H H 8.730 0.002 1 728 164 164 LYS C C 175.639 0.115 1 729 164 164 LYS CA C 55.956 0.014 1 730 164 164 LYS CB C 31.005 0.022 1 731 164 164 LYS N N 124.396 0.054 1 732 165 165 TRP H H 8.953 0.002 1 733 165 165 TRP CA C 55.886 0.014 1 734 165 165 TRP CB C 31.571 0.022 1 735 165 165 TRP N N 127.395 0.054 1 736 166 166 THR C C 174.728 0.115 1 737 166 166 THR CA C 62.144 0.014 1 738 166 166 THR CB C 67.719 0.022 1 739 167 167 VAL H H 9.348 0.002 1 740 167 167 VAL C C 175.206 0.115 1 741 167 167 VAL CA C 60.560 0.014 1 742 167 167 VAL CB C 33.115 0.022 1 743 167 167 VAL N N 130.137 0.054 1 744 168 168 ASN H H 9.876 0.002 1 745 168 168 ASN C C 176.226 0.115 1 746 168 168 ASN CA C 53.929 0.014 1 747 168 168 ASN CB C 37.321 0.022 1 748 168 168 ASN N N 129.817 0.054 1 749 169 169 GLY H H 9.256 0.002 1 750 169 169 GLY C C 172.465 0.115 1 751 169 169 GLY CA C 45.210 0.014 1 752 169 169 GLY N N 104.329 0.054 1 753 170 170 ASP H H 7.759 0.002 1 754 170 170 ASP C C 174.906 0.115 1 755 170 170 ASP CA C 51.549 0.014 1 756 170 170 ASP CB C 44.275 0.022 1 757 170 170 ASP N N 119.773 0.054 1 758 171 171 THR H H 8.952 0.002 1 759 171 171 THR C C 173.487 0.115 1 760 171 171 THR CA C 62.610 0.014 1 761 171 171 THR CB C 68.950 0.022 1 762 171 171 THR N N 120.243 0.054 1 763 172 172 ARG H H 8.979 0.002 1 764 172 172 ARG C C 174.835 0.115 1 765 172 172 ARG CA C 52.798 0.014 1 766 172 172 ARG CB C 34.073 0.022 1 767 172 172 ARG N N 124.673 0.054 1 768 173 173 VAL H H 9.383 0.002 1 769 173 173 VAL C C 175.691 0.115 1 770 173 173 VAL CA C 62.083 0.014 1 771 173 173 VAL CB C 31.253 0.022 1 772 173 173 VAL N N 122.018 0.054 1 773 174 174 GLY H H 9.531 0.002 1 774 174 174 GLY C C 170.907 0.115 1 775 174 174 GLY CA C 43.988 0.014 1 776 174 174 GLY N N 114.841 0.054 1 777 175 175 LEU H H 8.266 0.002 1 778 175 175 LEU C C 175.279 0.115 1 779 175 175 LEU CA C 52.016 0.014 1 780 175 175 LEU CB C 41.837 0.022 1 781 175 175 LEU N N 123.083 0.054 1 782 176 176 PHE H H 9.113 0.002 1 783 176 176 PHE C C 175.651 0.115 1 784 176 176 PHE CA C 55.095 0.014 1 785 176 176 PHE CB C 42.506 0.022 1 786 176 176 PHE N N 120.805 0.054 1 787 177 177 ALA H H 8.678 0.002 1 788 177 177 ALA C C 181.294 0.115 1 789 177 177 ALA CA C 52.420 0.014 1 790 177 177 ALA CB C 18.646 0.022 1 791 177 177 ALA N N 125.874 0.054 1 792 178 178 VAL H H 9.580 0.002 1 793 178 178 VAL C C 174.423 0.115 1 794 178 178 VAL CA C 61.079 0.014 1 795 178 178 VAL CB C 30.888 0.022 1 796 178 178 VAL N N 121.101 0.054 1 797 179 179 CYS H H 7.959 0.002 1 798 179 179 CYS C C 170.976 0.115 1 799 179 179 CYS CA C 53.865 0.014 1 800 179 179 CYS CB C 30.510 0.022 1 801 179 179 CYS N N 116.487 0.054 1 802 180 180 ASP H H 8.369 0.002 1 803 180 180 ASP C C 177.131 0.115 1 804 180 180 ASP CA C 54.600 0.014 1 805 180 180 ASP CB C 39.558 0.022 1 806 180 180 ASP N N 118.941 0.054 1 807 181 181 ILE H H 9.227 0.002 1 808 181 181 ILE CA C 58.476 0.014 1 809 181 181 ILE CB C 40.662 0.022 1 810 181 181 ILE N N 124.688 0.054 1 811 182 182 PRO C C 177.591 0.115 1 812 182 182 PRO CA C 61.933 0.014 1 813 182 182 PRO CB C 31.416 0.022 1 814 183 183 ALA H H 9.246 0.002 1 815 183 183 ALA CA C 53.196 0.014 1 816 183 183 ALA CB C 17.253 0.022 1 817 183 183 ALA N N 127.256 0.054 1 818 185 185 THR C C 174.060 0.115 1 819 185 185 THR CA C 62.479 0.014 1 820 185 185 THR CB C 68.514 0.022 1 821 186 186 GLU H H 8.858 0.002 1 822 186 186 GLU C C 176.139 0.115 1 823 186 186 GLU CA C 57.229 0.014 1 824 186 186 GLU CB C 28.115 0.022 1 825 186 186 GLU N N 127.981 0.054 1 826 187 187 LEU H H 9.257 0.002 1 827 187 187 LEU C C 175.975 0.115 1 828 187 187 LEU CA C 53.739 0.014 1 829 187 187 LEU CB C 41.788 0.022 1 830 187 187 LEU N N 131.309 0.054 1 831 188 188 THR H H 9.365 0.002 1 832 188 188 THR C C 173.017 0.115 1 833 188 188 THR CA C 58.544 0.014 1 834 188 188 THR CB C 72.979 0.022 1 835 188 188 THR N N 116.946 0.054 1 836 189 189 PHE H H 8.252 0.002 1 837 189 189 PHE C C 172.458 0.115 1 838 189 189 PHE CA C 55.281 0.014 1 839 189 189 PHE CB C 41.598 0.022 1 840 189 189 PHE N N 114.004 0.054 1 841 190 190 ASN H H 9.033 0.002 1 842 190 190 ASN C C 177.132 0.115 1 843 190 190 ASN CA C 51.631 0.014 1 844 190 190 ASN CB C 37.978 0.022 1 845 190 190 ASN N N 119.585 0.054 1 846 191 191 TYR H H 12.337 0.002 1 847 191 191 TYR C C 177.891 0.115 1 848 191 191 TYR CA C 57.045 0.014 1 849 191 191 TYR CB C 35.890 0.022 1 850 191 191 TYR N N 133.129 0.054 1 851 192 192 ASN H H 8.876 0.002 1 852 192 192 ASN C C 176.021 0.115 1 853 192 192 ASN CA C 55.348 0.014 1 854 192 192 ASN CB C 38.103 0.022 1 855 192 192 ASN N N 116.424 0.054 1 856 193 193 LEU H H 7.904 0.002 1 857 193 193 LEU C C 178.189 0.115 1 858 193 193 LEU CA C 56.258 0.014 1 859 193 193 LEU CB C 40.363 0.022 1 860 193 193 LEU N N 119.332 0.054 1 861 194 194 ASP H H 8.425 0.002 1 862 194 194 ASP C C 176.344 0.115 1 863 194 194 ASP CA C 55.277 0.014 1 864 194 194 ASP CB C 43.082 0.022 1 865 194 194 ASP N N 117.446 0.054 1 866 195 195 CYS H H 7.958 0.002 1 867 195 195 CYS C C 174.706 0.115 1 868 195 195 CYS CA C 58.034 0.014 1 869 195 195 CYS CB C 28.066 0.022 1 870 195 195 CYS N N 117.733 0.054 1 871 196 196 LEU H H 7.172 0.002 1 872 196 196 LEU C C 176.517 0.115 1 873 196 196 LEU CA C 54.346 0.014 1 874 196 196 LEU CB C 43.506 0.022 1 875 196 196 LEU N N 122.068 0.054 1 876 197 197 GLY H H 8.213 0.002 1 877 197 197 GLY C C 174.335 0.115 1 878 197 197 GLY CA C 44.446 0.014 1 879 197 197 GLY N N 106.885 0.054 1 880 198 198 ASN H H 7.749 0.002 1 881 198 198 ASN C C 175.723 0.115 1 882 198 198 ASN CA C 53.191 0.014 1 883 198 198 ASN CB C 39.011 0.022 1 884 198 198 ASN N N 115.647 0.054 1 885 199 199 GLU H H 8.969 0.002 1 886 199 199 GLU C C 176.827 0.115 1 887 199 199 GLU CA C 58.919 0.014 1 888 199 199 GLU CB C 28.057 0.022 1 889 199 199 GLU N N 121.281 0.054 1 890 200 200 LYS H H 8.347 0.002 1 891 200 200 LYS C C 176.406 0.115 1 892 200 200 LYS CA C 55.665 0.014 1 893 200 200 LYS CB C 30.430 0.022 1 894 200 200 LYS N N 117.990 0.054 1 895 201 201 THR H H 7.874 0.002 1 896 201 201 THR C C 173.519 0.115 1 897 201 201 THR CA C 62.715 0.014 1 898 201 201 THR CB C 69.014 0.022 1 899 201 201 THR N N 119.555 0.054 1 900 202 202 VAL H H 8.409 0.002 1 901 202 202 VAL C C 175.174 0.115 1 902 202 202 VAL CA C 62.712 0.014 1 903 202 202 VAL CB C 31.352 0.022 1 904 202 202 VAL N N 128.851 0.054 1 905 203 203 CYS H H 7.331 0.002 1 906 203 203 CYS C C 176.499 0.115 1 907 203 203 CYS CA C 59.288 0.014 1 908 203 203 CYS CB C 30.475 0.022 1 909 203 203 CYS N N 128.316 0.054 1 910 204 204 ARG H H 10.458 0.002 1 911 204 204 ARG C C 177.740 0.115 1 912 204 204 ARG CA C 53.175 0.014 1 913 204 204 ARG CB C 28.019 0.022 1 914 204 204 ARG N N 130.880 0.054 1 915 205 205 CYS H H 10.050 0.002 1 916 205 205 CYS C C 177.569 0.115 1 917 205 205 CYS CA C 61.646 0.014 1 918 205 205 CYS CB C 29.514 0.022 1 919 205 205 CYS N N 125.901 0.054 1 920 206 206 GLY H H 9.249 0.002 1 921 206 206 GLY C C 173.883 0.115 1 922 206 206 GLY CA C 45.505 0.014 1 923 206 206 GLY N N 113.785 0.054 1 924 207 207 ALA H H 9.248 0.002 1 925 207 207 ALA CA C 52.141 0.014 1 926 207 207 ALA CB C 20.272 0.022 1 927 207 207 ALA N N 127.707 0.054 1 928 208 208 SER C C 174.698 0.115 1 929 208 208 SER CA C 60.529 0.014 1 930 208 208 SER CB C 61.938 0.022 1 931 209 209 ASN H H 8.112 0.002 1 932 209 209 ASN C C 174.306 0.115 1 933 209 209 ASN CA C 51.502 0.014 1 934 209 209 ASN CB C 36.757 0.022 1 935 209 209 ASN N N 118.282 0.054 1 936 210 210 CYS H H 6.998 0.002 1 937 210 210 CYS C C 177.776 0.115 1 938 210 210 CYS CA C 58.342 0.014 1 939 210 210 CYS CB C 28.765 0.022 1 940 210 210 CYS N N 122.071 0.054 1 941 211 211 SER H H 9.735 0.002 1 942 211 211 SER C C 175.748 0.115 1 943 211 211 SER CA C 59.529 0.014 1 944 211 211 SER CB C 63.493 0.022 1 945 211 211 SER N N 130.610 0.054 1 946 212 212 GLY H H 9.809 0.002 1 947 212 212 GLY C C 174.056 0.115 1 948 212 212 GLY CA C 44.295 0.014 1 949 212 212 GLY N N 116.681 0.054 1 950 213 213 PHE H H 7.818 0.002 1 951 213 213 PHE C C 173.734 0.115 1 952 213 213 PHE CA C 56.317 0.014 1 953 213 213 PHE CB C 42.381 0.022 1 954 213 213 PHE N N 120.240 0.054 1 955 214 214 LEU H H 8.343 0.002 1 956 214 214 LEU C C 175.429 0.115 1 957 214 214 LEU CA C 54.557 0.014 1 958 214 214 LEU CB C 39.875 0.022 1 959 214 214 LEU N N 122.054 0.054 1 960 215 215 GLY H H 7.251 0.002 1 961 215 215 GLY CA C 45.751 0.014 1 962 215 215 GLY N N 114.748 0.054 1 stop_ save_