data_4330 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A Single-Chain T Cell Receptor ; _BMRB_accession_number 4330 _BMRB_flat_file_name bmr4330.str _Entry_type original _Submission_date 1999-04-09 _Accession_date 1999-04-12 _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 Hare B. J. . 2 Wyss D. F. . 3 Reinherz E. L. . 4 Wagner G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 785 "13C chemical shifts" 107 "15N chemical shifts" 209 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-10-02 original BMRB 'Original BMRB release' 2005-01-21 update BMRB 'Corrected the duplicate chemical shift for Gly 56 HA3' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure, Specificity and CDR Mobility of a Class II Restricted T Cell Receptor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 10360364 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hare B. J. . 2 Wyss D. F. . 3 Osburne M. S. . 4 Kern P. S. . 5 Reinherz E. L. . 6 Wagner G. . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 574 _Page_last 581 _Year 1999 _Details . loop_ _Keyword Immunoglobulin Immunoreceptor stop_ save_ ################################## # Molecular system description # ################################## save_system_TCR _Saveframe_category molecular_system _Mol_system_name 'ALPHA-BETA T CELL RECEPTOR (TCR) (D10)' _Abbreviation_common TCR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TCR ab' $TCR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'recognizes mhc/antigen complex' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TCR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ALPHA-BETA T CELL RECEPTOR (TCR) (D10)' _Name_variant C415S _Abbreviation_common tcr _Molecular_mass 27762 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 249 _Mol_residue_sequence ; AVTQSPRNKVAVTGGKVTLS CNQTNNHNNMYWYRQDTGHG LRLIHYSYGAGSTEKGDIPD GYKASRPSQENFSLILELAT PSQTSVYFCASGGQGRAEQF FGPGTRLTVLGSDYKDDDDK RSGGGGSGGGGSGGSGAQQQ VRQSPQSLTVWEGETTILNC SYEDSTFDYFPWYRQFPGKS PALLIAISLVSNKKEDGRFT IFFNKREKKLSLHITDSQPG DSATYFCAATGSFNKLTFGA GTRLAVSPY ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 VAL 3 THR 4 GLN 5 SER 6 PRO 7 ARG 8 ASN 9 LYS 10 VAL 11 ALA 12 VAL 13 THR 14 GLY 15 GLY 16 LYS 17 VAL 18 THR 19 LEU 20 SER 21 CYS 22 ASN 23 GLN 24 THR 25 ASN 26 ASN 27 HIS 28 ASN 29 ASN 30 MET 31 TYR 32 TRP 33 TYR 34 ARG 35 GLN 36 ASP 37 THR 38 GLY 39 HIS 40 GLY 41 LEU 42 ARG 43 LEU 44 ILE 45 HIS 46 TYR 47 SER 48 TYR 49 GLY 50 ALA 51 GLY 52 SER 53 THR 54 GLU 55 LYS 56 GLY 57 ASP 58 ILE 59 PRO 60 ASP 61 GLY 62 TYR 63 LYS 64 ALA 65 SER 66 ARG 67 PRO 68 SER 69 GLN 70 GLU 71 ASN 72 PHE 73 SER 74 LEU 75 ILE 76 LEU 77 GLU 78 LEU 79 ALA 80 THR 81 PRO 82 SER 83 GLN 84 THR 85 SER 86 VAL 87 TYR 88 PHE 89 CYS 90 ALA 91 SER 92 GLY 93 GLY 94 GLN 95 GLY 96 ARG 97 ALA 98 GLU 99 GLN 100 PHE 101 PHE 102 GLY 103 PRO 104 GLY 105 THR 106 ARG 107 LEU 108 THR 109 VAL 110 LEU 111 GLY 112 SER 113 ASP 114 TYR 115 LYS 116 ASP 117 ASP 118 ASP 119 ASP 120 LYS 121 ARG 122 SER 123 GLY 124 GLY 125 GLY 126 GLY 127 SER 128 GLY 129 GLY 130 GLY 131 GLY 132 SER 133 GLY 134 GLY 135 SER 136 GLY 137 ALA 138 GLN 139 GLN 140 GLN 141 VAL 142 ARG 143 GLN 144 SER 145 PRO 146 GLN 147 SER 148 LEU 149 THR 150 VAL 151 TRP 152 GLU 153 GLY 154 GLU 155 THR 156 THR 157 ILE 158 LEU 159 ASN 160 CYS 161 SER 162 TYR 163 GLU 164 ASP 165 SER 166 THR 167 PHE 168 ASP 169 TYR 170 PHE 171 PRO 172 TRP 173 TYR 174 ARG 175 GLN 176 PHE 177 PRO 178 GLY 179 LYS 180 SER 181 PRO 182 ALA 183 LEU 184 LEU 185 ILE 186 ALA 187 ILE 188 SER 189 LEU 190 VAL 191 SER 192 ASN 193 LYS 194 LYS 195 GLU 196 ASP 197 GLY 198 ARG 199 PHE 200 THR 201 ILE 202 PHE 203 PHE 204 ASN 205 LYS 206 ARG 207 GLU 208 LYS 209 LYS 210 LEU 211 SER 212 LEU 213 HIS 214 ILE 215 THR 216 ASP 217 SER 218 GLN 219 PRO 220 GLY 221 ASP 222 SER 223 ALA 224 THR 225 TYR 226 PHE 227 CYS 228 ALA 229 ALA 230 THR 231 GLY 232 SER 233 PHE 234 ASN 235 LYS 236 LEU 237 THR 238 PHE 239 GLY 240 ALA 241 GLY 242 THR 243 ARG 244 LEU 245 ALA 246 VAL 247 SER 248 PRO 249 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1BWM "A Single-Chain T Cell Receptor" 99.60 249 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TCR mouse 10090 Eukaryota Metazoa Mus musculus 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 $TCR 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TCR 1.0 mM . 'sodium acetate' 20 mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TCR 1.0 mM '[U-50% 2H]' 'sodium acetate' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 5.0 0.2 na pressure 1.0 . atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'TCR ab' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ALA HA H 4.351 0.006 . 2 . 1 ALA HB H 1.422 0.003 . 3 . 1 ALA CB C 20.104 0.000 . 4 . 2 VAL N N 121.922 0.000 . 5 . 2 VAL H H 8.539 0.015 . 6 . 2 VAL HA H 4.795 0.017 . 7 . 2 VAL HB H 1.728 0.013 . 8 . 2 VAL HG1 H 0.916 0.009 . 9 . 2 VAL HG2 H 0.860 0.002 . 10 . 2 VAL CG1 C 21.115 0.002 . 11 . 2 VAL CG2 C 22.541 0.000 . 12 . 3 THR N N 118.931 0.000 . 13 . 3 THR H H 9.607 0.013 . 14 . 3 THR HA H 4.736 0.000 . 15 . 3 THR HB H 4.279 0.003 . 16 . 3 THR HG2 H 1.144 0.001 . 17 . 3 THR CG2 C 21.394 0.000 . 18 . 4 GLN N N 117.081 0.000 . 19 . 4 GLN H H 8.165 0.005 . 20 . 4 GLN HA H 5.454 0.003 . 21 . 5 SER N N 115.415 0.000 . 22 . 5 SER H H 8.535 0.001 . 23 . 5 SER HA H 4.620 0.000 . 24 . 5 SER HB3 H 3.706 0.000 . 25 . 9 LYS HA H 4.669 0.000 . 26 . 10 VAL N N 129.601 0.000 . 27 . 10 VAL H H 8.716 0.016 . 28 . 10 VAL HA H 4.978 0.004 . 29 . 10 VAL HB H 1.896 0.011 . 30 . 10 VAL HG1 H 0.893 0.001 . 31 . 10 VAL HG2 H 0.831 0.002 . 32 . 10 VAL CG1 C 21.231 0.001 . 33 . 10 VAL CG2 C 21.376 0.010 . 34 . 11 ALA N N 130.372 0.000 . 35 . 11 ALA H H 9.143 0.009 . 36 . 11 ALA HA H 4.788 0.012 . 37 . 11 ALA HB H 1.050 0.002 . 38 . 11 ALA CB C 23.119 0.000 . 39 . 12 VAL N N 115.477 0.000 . 40 . 12 VAL H H 7.993 0.008 . 41 . 12 VAL HA H 4.564 0.006 . 42 . 12 VAL HB H 2.034 0.009 . 43 . 12 VAL HG1 H 0.915 0.000 . 44 . 12 VAL HG2 H 0.797 0.004 . 45 . 12 VAL CG2 C 19.693 0.003 . 46 . 13 THR N N 119.565 0.000 . 47 . 13 THR H H 7.949 0.002 . 48 . 13 THR HA H 3.789 0.009 . 49 . 13 THR HG2 H 1.194 0.000 . 50 . 13 THR CG2 C 21.524 0.001 . 51 . 14 GLY N N 116.340 0.000 . 52 . 14 GLY H H 9.766 0.003 . 53 . 14 GLY HA3 H 4.339 0.000 . 54 . 15 GLY N N 109.446 0.000 . 55 . 15 GLY H H 8.360 0.005 . 56 . 15 GLY HA3 H 4.176 0.010 . 57 . 15 GLY HA2 H 3.592 0.011 . 58 . 16 LYS N N 119.332 0.000 . 59 . 16 LYS H H 7.945 0.003 . 60 . 16 LYS CA C 54.761 0.000 . 61 . 16 LYS HA H 5.096 0.022 . 62 . 16 LYS HB2 H 1.634 0.000 2 63 . 17 VAL N N 126.147 0.000 . 64 . 17 VAL H H 8.786 0.005 . 65 . 17 VAL HA H 4.236 0.001 . 66 . 17 VAL HB H 1.784 0.000 . 67 . 17 VAL HG1 H 0.614 0.001 . 68 . 17 VAL HG2 H 0.421 0.000 . 69 . 18 THR N N 122.169 0.000 . 70 . 18 THR H H 8.287 0.002 . 71 . 18 THR HA H 4.859 0.006 . 72 . 18 THR HB H 3.767 0.013 . 73 . 18 THR HG2 H 0.913 0.001 . 74 . 19 LEU N N 128.645 0.000 . 75 . 19 LEU H H 9.423 0.010 . 76 . 19 LEU HA H 4.697 0.013 . 77 . 19 LEU HB2 H 1.356 0.001 2 78 . 19 LEU CG C 27.325 0.002 . 79 . 19 LEU HG H 1.102 0.016 . 80 . 19 LEU HD1 H 0.433 0.018 . 81 . 19 LEU HD2 H -0.046 0.009 . 82 . 19 LEU CD2 C 25.130 0.060 . 83 . 20 SER N N 116.895 0.000 . 84 . 20 SER H H 8.943 0.001 . 85 . 20 SER CA C 58.154 0.000 . 86 . 20 SER HA H 5.174 0.001 . 87 . 20 SER HB2 H 3.913 0.002 . 88 . 20 SER HB3 H 3.780 0.016 . 89 . 21 CYS N N 125.561 0.000 . 90 . 21 CYS H H 8.369 0.005 . 91 . 21 CYS HA H 5.461 0.002 . 92 . 21 CYS HB2 H 3.084 0.002 2 93 . 22 ASN N N 126.117 0.000 . 94 . 22 ASN H H 8.883 0.004 . 95 . 22 ASN HA H 6.006 0.000 . 96 . 22 ASN HB2 H 2.510 0.000 . 97 . 22 ASN HB3 H 2.455 0.002 . 98 . 23 GLN N N 119.116 0.000 . 99 . 23 GLN H H 9.290 0.003 . 100 . 23 GLN HA H 5.775 0.007 . 101 . 23 GLN HB2 H 1.850 0.000 . 102 . 23 GLN HB3 H 1.818 0.000 . 103 . 23 GLN HG2 H 2.338 0.002 2 104 . 24 THR N N 110.605 0.000 . 105 . 24 THR H H 8.317 0.003 . 106 . 24 THR HA H 4.594 0.001 . 107 . 24 THR HG2 H 1.057 0.001 . 108 . 25 ASN N N 117.975 0.000 . 109 . 25 ASN H H 7.082 0.002 . 110 . 25 ASN HA H 4.266 0.000 . 111 . 26 ASN N N 117.882 0.000 . 112 . 26 ASN H H 8.952 0.003 . 113 . 26 ASN HA H 4.068 0.000 . 114 . 27 HIS N N 117.728 0.000 . 115 . 27 HIS H H 8.007 0.005 . 116 . 27 HIS HA H 4.666 0.001 . 117 . 27 HIS HB2 H 3.213 0.002 2 118 . 28 ASN N N 118.314 0.000 . 119 . 28 ASN H H 8.988 0.001 . 120 . 28 ASN HA H 4.523 0.002 . 121 . 28 ASN HB2 H 2.977 0.000 . 122 . 28 ASN HB3 H 2.533 0.000 . 123 . 29 ASN N N 117.081 0.000 . 124 . 29 ASN H H 7.723 0.006 . 125 . 29 ASN CA C 52.065 0.003 . 126 . 29 ASN HA H 5.611 0.011 . 127 . 29 ASN HB2 H 2.979 0.005 . 128 . 29 ASN HB3 H 2.260 0.012 . 129 . 30 MET N N 117.173 0.000 . 130 . 30 MET H H 8.272 0.006 . 131 . 30 MET HA H 5.350 0.003 . 132 . 31 TYR N N 113.472 0.000 . 133 . 31 TYR H H 8.309 0.000 . 134 . 31 TYR HA H 5.608 0.004 . 135 . 31 TYR HB2 H 3.038 0.000 . 136 . 31 TYR HB3 H 2.831 0.000 . 137 . 31 TYR HD1 H 6.376 0.011 2 138 . 31 TYR HE1 H 6.618 0.000 2 139 . 32 TRP N N 118.902 0.000 . 140 . 32 TRP H H 8.412 0.002 . 141 . 32 TRP HA H 5.452 0.010 . 142 . 32 TRP HE3 H 7.477 0.000 . 143 . 33 TYR N N 120.319 0.000 . 144 . 33 TYR H H 9.849 0.003 . 145 . 33 TYR CA C 56.542 0.000 . 146 . 33 TYR HA H 5.776 0.010 . 147 . 33 TYR HB2 H 2.773 0.000 2 148 . 33 TYR HD1 H 6.591 0.006 2 149 . 33 TYR HE1 H 6.270 0.006 2 150 . 34 ARG N N 115.178 0.000 . 151 . 34 ARG H H 8.882 0.010 . 152 . 34 ARG HA H 5.376 0.007 . 153 . 34 ARG HB2 H 1.494 0.005 2 154 . 35 GLN N N 125.561 0.000 . 155 . 35 GLN H H 8.973 0.003 . 156 . 35 GLN HA H 5.056 0.014 . 157 . 36 ASP N N 123.773 0.000 . 158 . 36 ASP H H 7.887 0.001 . 159 . 36 ASP HA H 5.217 0.005 . 160 . 37 THR N N 122.513 0.000 . 161 . 37 THR H H 9.400 0.006 . 162 . 37 THR HA H 3.992 0.014 . 163 . 37 THR CB C 68.619 0.024 . 164 . 37 THR HB H 4.146 0.014 . 165 . 37 THR HG2 H 1.258 0.011 . 166 . 37 THR CG2 C 22.209 0.029 . 167 . 38 GLY N N 113.688 0.000 . 168 . 38 GLY H H 9.095 0.004 . 169 . 38 GLY HA2 H 3.657 0.000 2 170 . 39 HIS N N 116.301 0.000 . 171 . 39 HIS H H 8.161 0.005 . 172 . 39 HIS CA C 55.089 0.197 . 173 . 39 HIS HA H 4.948 0.011 . 174 . 39 HIS HB3 H 3.015 0.021 . 175 . 39 HIS HD2 H 6.923 0.019 . 176 . 39 HIS HE1 H 8.641 0.000 . 177 . 40 GLY N N 108.692 0.000 . 178 . 40 GLY H H 8.535 0.009 . 179 . 40 GLY HA3 H 4.271 0.001 . 180 . 40 GLY HA2 H 3.914 0.000 . 181 . 41 LEU N N 123.958 0.000 . 182 . 41 LEU H H 6.644 0.001 . 183 . 41 LEU CA C 53.892 0.000 . 184 . 41 LEU HA H 4.555 0.021 . 185 . 41 LEU HB2 H 0.224 0.006 2 186 . 41 LEU CG C 26.491 0.001 . 187 . 41 LEU HG H 0.150 0.010 . 188 . 41 LEU HD1 H -0.351 0.010 . 189 . 41 LEU HD2 H -1.445 0.011 . 190 . 41 LEU CD1 C 23.656 0.000 . 191 . 41 LEU CD2 C 23.076 0.004 . 192 . 42 ARG N N 120.411 0.000 . 193 . 42 ARG H H 8.659 0.003 . 194 . 42 ARG HA H 4.845 0.004 . 195 . 43 LEU N N 126.456 0.000 . 196 . 43 LEU H H 9.310 0.002 . 197 . 43 LEU HA H 4.168 0.014 . 198 . 43 LEU HB2 H 1.938 0.004 . 199 . 43 LEU HB3 H 1.630 0.013 . 200 . 43 LEU HG H 1.172 0.000 . 201 . 43 LEU HD1 H 0.656 0.004 . 202 . 43 LEU HD2 H 0.832 0.005 . 203 . 43 LEU CD1 C 26.777 0.001 . 204 . 43 LEU CD2 C 25.024 1.753 . 205 . 44 ILE N N 110.943 0.000 . 206 . 44 ILE H H 7.127 0.009 . 207 . 44 ILE CA C 55.045 0.000 . 208 . 44 ILE HA H 5.325 0.019 . 209 . 44 ILE HB H 1.947 0.000 . 210 . 44 ILE HG2 H 0.637 0.001 . 211 . 44 ILE HG12 H 1.689 0.002 . 212 . 44 ILE HG13 H 1.194 0.000 . 213 . 44 ILE HD1 H 0.371 0.007 . 214 . 44 ILE CD1 C 14.878 0.001 . 215 . 45 HIS N N 131.143 0.000 . 216 . 45 HIS H H 9.416 0.006 . 217 . 45 HIS HA H 5.780 0.000 . 218 . 46 TYR N N 122.212 0.000 . 219 . 46 TYR H H 8.490 0.001 . 220 . 46 TYR CA C 55.838 0.003 . 221 . 46 TYR HA H 5.320 0.000 . 222 . 46 TYR HB2 H 3.091 0.000 . 223 . 46 TYR HB3 H 2.849 0.000 . 224 . 46 TYR HD1 H 6.369 0.006 2 225 . 47 SER H H 7.991 0.000 . 226 . 47 SER HA H 4.406 0.005 . 227 . 47 SER CB C 65.185 0.001 . 228 . 47 SER HB2 H 3.735 0.004 2 229 . 48 TYR N N 126.518 0.000 . 230 . 48 TYR H H 8.960 0.004 . 231 . 48 TYR CA C 55.165 0.002 . 232 . 48 TYR HA H 5.307 0.013 . 233 . 48 TYR HB2 H 3.250 0.008 . 234 . 48 TYR HB3 H 2.864 0.002 . 235 . 48 TYR HD1 H 6.424 0.002 2 236 . 48 TYR HE1 H 7.092 0.002 2 237 . 49 GLY N N 106.009 0.000 . 238 . 49 GLY H H 7.467 0.004 . 239 . 49 GLY HA3 H 4.132 0.000 . 240 . 49 GLY HA2 H 3.818 0.001 . 241 . 50 ALA N N 121.645 0.000 . 242 . 50 ALA H H 8.681 0.005 . 243 . 50 ALA HB H 1.084 0.006 . 244 . 50 ALA CB C 17.984 0.000 . 245 . 51 GLY N N 110.820 0.000 . 246 . 51 GLY H H 8.870 0.006 . 247 . 51 GLY HA3 H 4.198 0.000 . 248 . 51 GLY HA2 H 3.781 0.001 . 249 . 52 SER N N 114.675 0.000 . 250 . 52 SER H H 8.012 0.003 . 251 . 52 SER HA H 4.976 0.008 . 252 . 52 SER CB C 64.970 0.000 . 253 . 52 SER HB2 H 3.715 0.009 . 254 . 53 THR N N 115.592 0.000 . 255 . 53 THR H H 8.355 0.010 . 256 . 53 THR CA C 60.996 0.001 . 257 . 53 THR HA H 4.182 0.018 . 258 . 53 THR HG2 H 1.087 0.010 . 259 . 53 THR CG2 C 21.958 0.000 . 260 . 54 GLU N N 121.275 0.000 . 261 . 54 GLU H H 8.840 0.006 . 262 . 54 GLU HA H 4.439 0.000 . 263 . 54 GLU CB C 31.904 0.003 . 264 . 54 GLU HB2 H 1.231 0.000 . 265 . 54 GLU HB3 H 0.057 0.014 . 266 . 54 GLU HG2 H 1.742 0.009 2 267 . 55 LYS N N 117.389 0.000 . 268 . 55 LYS H H 9.516 0.004 . 269 . 55 LYS CA C 55.833 0.022 . 270 . 55 LYS HA H 5.333 0.015 . 271 . 55 LYS HB2 H 2.277 0.008 . 272 . 55 LYS HB3 H 1.817 0.000 . 273 . 55 LYS HZ H 7.147 0.003 . 274 . 56 GLY N N 109.124 0.000 . 275 . 56 GLY H H 7.752 0.003 . 276 . 56 GLY CA C 56.685 0.000 . 277 . 56 GLY HA3 H 5.083 0.006 . 278 . 56 GLY HA2 H 4.494 0.001 . 279 . 57 ASP N N 120.812 0.000 . 280 . 57 ASP H H 7.427 0.002 . 281 . 57 ASP HA H 4.664 0.000 . 282 . 57 ASP HB2 H 2.779 0.005 2 283 . 58 ILE N N 110.049 0.000 . 284 . 58 ILE H H 7.575 0.002 . 285 . 58 ILE HB H 1.826 0.000 . 286 . 58 ILE HG2 H 0.637 0.001 . 287 . 58 ILE HG12 H 1.583 0.000 2 288 . 58 ILE HD1 H 0.861 0.000 . 289 . 60 ASP N N 119.397 0.000 . 290 . 60 ASP H H 7.995 0.004 . 291 . 60 ASP HA H 4.355 0.002 . 292 . 61 GLY N N 111.283 0.000 . 293 . 61 GLY H H 8.894 0.003 . 294 . 61 GLY HA3 H 4.755 0.008 . 295 . 61 GLY HA2 H 3.504 0.004 . 296 . 62 TYR N N 117.697 0.000 . 297 . 62 TYR H H 8.332 0.003 . 298 . 62 TYR CA C 56.671 0.000 . 299 . 62 TYR HA H 5.185 0.008 . 300 . 62 TYR HD1 H 6.749 0.002 . 301 . 63 LYS N N 124.575 0.000 . 302 . 63 LYS H H 9.319 0.003 . 303 . 63 LYS HA H 4.519 0.007 . 304 . 64 ALA N N 123.187 0.000 . 305 . 64 ALA H H 8.252 0.000 . 306 . 64 ALA CA C 50.236 0.000 . 307 . 64 ALA HA H 5.115 0.003 . 308 . 64 ALA HB H 0.912 0.001 . 309 . 65 SER N N 113.071 0.000 . 310 . 65 SER H H 8.221 0.007 . 311 . 65 SER CA C 57.142 0.000 . 312 . 65 SER HA H 4.514 0.013 . 313 . 65 SER HB2 H 3.540 0.000 . 314 . 65 SER HB3 H 3.449 0.000 . 315 . 66 ARG N N 130.558 0.000 . 316 . 66 ARG H H 9.403 0.006 . 317 . 66 ARG CA C 51.744 0.000 . 318 . 66 ARG HA H 5.735 0.016 . 319 . 66 ARG HB2 H 2.280 0.002 2 320 . 66 ARG HG2 H 1.286 0.002 2 321 . 66 ARG HD2 H 3.563 0.000 2 322 . 67 PRO HA H 4.499 0.004 . 323 . 68 SER N N 110.018 0.000 . 324 . 68 SER H H 7.693 0.002 . 325 . 68 SER CA C 55.847 0.000 . 326 . 68 SER HA H 4.611 0.017 . 327 . 68 SER HB2 H 3.937 0.003 . 328 . 68 SER HB3 H 4.185 0.000 . 329 . 69 GLN N N 119.640 0.000 . 330 . 69 GLN H H 9.126 0.002 . 331 . 69 GLN HA H 4.216 0.000 . 332 . 69 GLN HB2 H 2.047 0.000 . 333 . 69 GLN HB3 H 1.897 0.000 . 334 . 70 GLU N N 113.688 0.000 . 335 . 70 GLU H H 8.698 0.003 . 336 . 70 GLU HA H 4.230 0.007 . 337 . 70 GLU HB2 H 2.064 0.001 . 338 . 70 GLU HB3 H 1.874 0.000 . 339 . 70 GLU HG2 H 2.418 0.000 . 340 . 70 GLU HG3 H 2.228 0.000 . 341 . 71 ASN N N 115.415 0.000 . 342 . 71 ASN H H 7.063 0.000 . 343 . 71 ASN HA H 5.908 0.001 . 344 . 71 ASN HB2 H 2.698 0.004 . 345 . 71 ASN HB3 H 2.553 0.002 . 346 . 72 PHE N N 120.781 0.000 . 347 . 72 PHE H H 8.716 0.003 . 348 . 72 PHE HA H 5.961 0.015 . 349 . 72 PHE HB2 H 3.088 0.000 2 350 . 72 PHE HD1 H 7.240 0.000 2 351 . 73 SER N N 123.680 0.000 . 352 . 73 SER H H 9.626 0.002 . 353 . 73 SER HA H 5.686 0.007 . 354 . 73 SER HB2 H 3.647 0.001 2 355 . 74 LEU N N 125.654 0.000 . 356 . 74 LEU H H 8.696 0.004 . 357 . 74 LEU HA H 4.344 0.009 . 358 . 74 LEU HB2 H 0.781 0.000 2 359 . 74 LEU HG H 0.812 0.000 . 360 . 74 LEU HD1 H 0.389 0.012 . 361 . 74 LEU HD2 H -0.106 0.006 . 362 . 74 LEU CD1 C 26.222 0.005 . 363 . 75 ILE N N 126.055 0.000 . 364 . 75 ILE H H 9.070 0.002 . 365 . 75 ILE HA H 4.432 0.001 . 366 . 75 ILE HG2 H 0.924 0.000 . 367 . 75 ILE HG12 H 1.338 0.000 . 368 . 75 ILE HG13 H 1.115 0.000 . 369 . 75 ILE HD1 H 0.558 0.000 . 370 . 76 LEU N N 132.562 0.000 . 371 . 76 LEU H H 9.228 0.004 . 372 . 76 LEU HA H 4.496 0.041 . 373 . 76 LEU HB3 H 1.521 0.000 . 374 . 76 LEU HD1 H 0.610 0.006 . 375 . 76 LEU HD2 H 0.415 0.007 . 376 . 76 LEU CD2 C 23.646 0.053 . 377 . 77 GLU N N 121.367 0.000 . 378 . 77 GLU H H 8.491 0.005 . 379 . 77 GLU CA C 58.720 0.000 . 380 . 77 GLU HA H 3.748 0.008 . 381 . 77 GLU HB2 H 1.821 0.001 2 382 . 77 GLU HG2 H 2.157 0.001 2 383 . 78 LEU N N 120.905 0.000 . 384 . 78 LEU H H 7.943 0.003 . 385 . 78 LEU HA H 3.962 0.002 . 386 . 78 LEU HB2 H 1.292 0.000 . 387 . 78 LEU HD2 H 0.727 0.000 . 388 . 79 ALA N N 126.857 0.000 . 389 . 79 ALA H H 8.816 0.002 . 390 . 79 ALA HA H 4.970 0.001 . 391 . 79 ALA HB H 1.044 0.001 . 392 . 80 THR N N 113.040 0.000 . 393 . 80 THR H H 8.581 0.003 . 394 . 80 THR HA H 4.990 0.002 . 395 . 80 THR HG2 H 1.116 0.008 . 396 . 81 PRO HA H 4.749 0.000 . 397 . 82 SER N N 112.208 0.000 . 398 . 82 SER H H 8.271 0.004 . 399 . 82 SER HA H 4.344 0.000 . 400 . 82 SER HB2 H 3.940 0.000 2 401 . 83 GLN N N 119.887 0.000 . 402 . 83 GLN H H 8.572 0.002 . 403 . 83 GLN HA H 4.217 0.000 . 404 . 83 GLN HB3 H 2.197 0.001 . 405 . 83 GLN HG2 H 2.392 0.002 . 406 . 84 THR N N 123.403 0.000 . 407 . 84 THR H H 7.958 0.006 . 408 . 84 THR HA H 5.734 0.000 . 409 . 84 THR CB C 70.030 0.000 . 410 . 84 THR HB H 4.365 0.008 . 411 . 84 THR HG2 H 1.552 0.006 . 412 . 84 THR CG2 C 21.968 0.001 . 413 . 85 SER N N 122.385 0.000 . 414 . 85 SER H H 8.755 0.007 . 415 . 85 SER CA C 58.437 0.000 . 416 . 85 SER HA H 5.018 0.008 . 417 . 85 SER HB2 H 3.910 0.016 2 418 . 86 VAL N N 119.733 0.000 . 419 . 86 VAL H H 8.340 0.003 . 420 . 86 VAL CA C 61.754 0.000 . 421 . 86 VAL HA H 4.759 0.009 . 422 . 86 VAL HB H 1.944 0.001 . 423 . 86 VAL HG1 H 0.911 0.009 . 424 . 86 VAL HG2 H 0.409 0.006 . 425 . 87 TYR N N 123.248 0.000 . 426 . 87 TYR H H 9.102 0.003 . 427 . 87 TYR HA H 5.255 0.016 . 428 . 87 TYR HB2 H 2.961 0.010 . 429 . 87 TYR HB3 H 2.624 0.015 . 430 . 87 TYR HD1 H 6.752 0.013 2 431 . 87 TYR HE1 H 6.656 0.001 2 432 . 88 PHE N N 122.508 0.000 . 433 . 88 PHE H H 9.571 0.001 . 434 . 88 PHE CA C 58.563 0.000 . 435 . 88 PHE HA H 5.036 0.020 . 436 . 88 PHE HB2 H 2.603 0.009 2 437 . 88 PHE HD1 H 7.041 0.013 2 438 . 88 PHE HE1 H 6.596 0.000 2 439 . 89 CYS N N 122.848 0.000 . 440 . 89 CYS H H 7.800 0.006 . 441 . 89 CYS HA H 5.064 0.000 . 442 . 90 ALA N N 126.467 0.000 . 443 . 90 ALA H H 8.792 0.013 . 444 . 90 ALA CA C 50.221 0.000 . 445 . 90 ALA HA H 5.491 0.022 . 446 . 90 ALA CB C 22.815 0.000 . 447 . 90 ALA HB H 0.330 0.001 . 448 . 91 SER N N 116.926 0.000 . 449 . 91 SER H H 9.262 0.008 . 450 . 91 SER HA H 5.684 0.002 . 451 . 92 GLY N N 106.564 0.000 . 452 . 92 GLY H H 8.639 0.002 . 453 . 92 GLY CA C 45.812 0.000 . 454 . 92 GLY HA3 H 4.075 0.015 . 455 . 92 GLY HA2 H 3.799 0.010 . 456 . 93 GLY N N 107.058 0.000 . 457 . 93 GLY H H 8.352 0.007 . 458 . 93 GLY HA3 H 4.242 0.007 . 459 . 93 GLY HA2 H 3.470 0.000 . 460 . 94 GLN N N 117.605 0.000 . 461 . 94 GLN H H 8.218 0.008 . 462 . 94 GLN HA H 4.172 0.001 . 463 . 94 GLN HB2 H 1.997 0.003 . 464 . 94 GLN HB3 H 1.895 0.000 . 465 . 94 GLN HG2 H 2.309 0.013 2 466 . 95 GLY N N 110.265 0.000 . 467 . 95 GLY H H 8.474 0.005 . 468 . 95 GLY CA C 45.857 0.001 . 469 . 95 GLY HA3 H 3.714 0.009 . 470 . 95 GLY HA2 H 3.468 0.016 . 471 . 96 ARG N N 123.151 0.000 . 472 . 96 ARG H H 8.192 0.005 . 473 . 96 ARG HA H 3.734 0.000 . 474 . 97 ALA N N 124.667 0.000 . 475 . 97 ALA H H 7.303 0.002 . 476 . 97 ALA HA H 4.130 0.003 . 477 . 97 ALA HB H 1.044 0.007 . 478 . 97 ALA CB C 20.801 0.030 . 479 . 98 GLU N N 123.526 0.000 . 480 . 98 GLU H H 8.279 0.006 . 481 . 98 GLU HA H 3.708 0.001 . 482 . 99 GLN N N 122.971 0.000 . 483 . 99 GLN H H 7.668 0.006 . 484 . 99 GLN HA H 4.954 0.007 . 485 . 99 GLN HB2 H 2.056 0.000 . 486 . 99 GLN HB3 H 1.379 0.001 . 487 . 100 PHE N N 124.081 0.000 . 488 . 100 PHE H H 9.536 0.002 . 489 . 100 PHE HA H 4.669 0.003 . 490 . 100 PHE HB2 H 3.162 0.001 . 491 . 100 PHE HB3 H 3.046 0.000 . 492 . 100 PHE HD1 H 7.391 0.002 2 493 . 100 PHE HE1 H 7.271 0.001 2 494 . 100 PHE HZ H 6.420 0.000 . 495 . 101 PHE N N 121.521 0.000 . 496 . 101 PHE H H 9.296 0.002 . 497 . 101 PHE HA H 4.999 0.004 . 498 . 101 PHE HB2 H 3.332 0.002 . 499 . 101 PHE HB3 H 3.137 0.000 . 500 . 101 PHE HD1 H 6.912 0.005 2 501 . 101 PHE HE1 H 6.272 0.002 2 502 . 102 GLY N N 108.507 0.000 . 503 . 102 GLY H H 9.508 0.002 . 504 . 102 GLY HA3 H 4.527 0.000 . 505 . 102 GLY HA2 H 4.032 0.000 . 506 . 103 PRO HA H 4.748 0.000 . 507 . 103 PRO HB2 H 2.253 0.000 . 508 . 103 PRO HB3 H 1.986 0.000 . 509 . 104 GLY N N 113.226 0.000 . 510 . 104 GLY H H 8.915 0.001 . 511 . 104 GLY HA3 H 4.319 0.000 . 512 . 104 GLY HA2 H 3.819 0.000 . 513 . 105 THR N N 118.931 0.000 . 514 . 105 THR H H 8.382 0.001 . 515 . 105 THR HA H 4.875 0.002 . 516 . 105 THR HG2 H 0.917 0.001 . 517 . 106 ARG N N 128.949 0.000 . 518 . 106 ARG H H 8.367 0.003 . 519 . 106 ARG HA H 4.663 0.007 . 520 . 106 ARG HB2 H 2.209 0.002 . 521 . 106 ARG HB3 H 1.854 0.000 . 522 . 107 LEU N N 129.787 0.000 . 523 . 107 LEU H H 8.810 0.004 . 524 . 107 LEU HA H 5.414 0.001 . 525 . 107 LEU HB2 H 1.593 0.014 . 526 . 107 LEU HB3 H 1.551 0.016 . 527 . 107 LEU HG H 1.269 0.001 . 528 . 107 LEU HD1 H 0.631 0.017 . 529 . 107 LEU HD2 H 0.588 0.000 . 530 . 107 LEU CD1 C 24.778 0.005 . 531 . 108 THR N N 124.143 0.000 . 532 . 108 THR H H 8.727 0.009 . 533 . 108 THR HA H 4.570 0.003 . 534 . 108 THR HB H 3.995 0.006 . 535 . 108 THR HG2 H 1.150 0.002 . 536 . 109 VAL N N 127.905 0.000 . 537 . 109 VAL H H 8.568 0.002 . 538 . 109 VAL HA H 4.413 0.005 . 539 . 109 VAL HB H 1.721 0.000 . 540 . 109 VAL HG1 H 0.477 0.009 . 541 . 109 VAL HG2 H 0.273 0.010 . 542 . 110 LEU N N 126.981 0.014 . 543 . 110 LEU H H 8.763 0.001 . 544 . 110 LEU HA H 4.342 0.000 . 545 . 110 LEU HB2 H 1.647 0.000 2 546 . 110 LEU HD1 H 0.739 0.002 1 547 . 111 GLY N N 108.971 0.003 . 548 . 111 GLY H H 8.418 0.004 . 549 . 115 LYS N N 123.711 0.000 . 550 . 115 LYS H H 8.055 0.000 . 551 . 116 ASP N N 121.583 0.000 . 552 . 116 ASP H H 8.211 0.000 . 553 . 121 ARG N N 120.658 0.000 . 554 . 121 ARG H H 8.152 0.000 . 555 . 122 SER N N 116.063 0.000 . 556 . 122 SER H H 8.238 0.000 . 557 . 123 GLY N N 110.820 0.000 . 558 . 123 GLY H H 8.356 0.000 . 559 . 137 ALA N N 123.742 0.000 . 560 . 137 ALA H H 8.113 0.000 . 561 . 137 ALA HA H 4.312 0.000 . 562 . 137 ALA HB H 1.377 0.000 . 563 . 138 GLN N N 119.393 0.000 . 564 . 138 GLN H H 8.395 0.000 . 565 . 139 GLN HA H 4.432 0.000 . 566 . 140 GLN N N 120.812 0.000 . 567 . 140 GLN H H 8.604 0.003 . 568 . 140 GLN HA H 4.266 0.000 . 569 . 140 GLN HB2 H 2.178 0.004 . 570 . 140 GLN HB3 H 2.012 0.000 . 571 . 140 GLN HG2 H 2.578 0.002 . 572 . 140 GLN HG3 H 2.358 0.011 . 573 . 141 VAL N N 119.164 0.000 . 574 . 141 VAL H H 7.977 0.003 . 575 . 141 VAL HA H 4.639 0.007 . 576 . 141 VAL HB H 1.602 0.011 . 577 . 141 VAL HG1 H 0.744 0.011 . 578 . 141 VAL HG2 H 0.726 0.002 . 579 . 142 ARG N N 126.579 0.000 . 580 . 142 ARG H H 9.192 0.001 . 581 . 142 ARG HA H 4.671 0.000 . 582 . 143 GLN N N 122.971 0.000 . 583 . 143 GLN H H 9.022 0.002 . 584 . 143 GLN HA H 5.161 0.003 . 585 . 144 SER N N 116.231 0.000 . 586 . 144 SER H H 8.109 0.003 . 587 . 144 SER HA H 4.483 0.000 . 588 . 145 PRO HA H 4.999 0.000 . 589 . 146 GLN N N 119.979 0.000 . 590 . 146 GLN H H 8.989 0.005 . 591 . 146 GLN HA H 4.746 0.001 . 592 . 147 SER N N 112.640 0.000 . 593 . 147 SER H H 7.783 0.002 . 594 . 147 SER HA H 5.287 0.003 . 595 . 147 SER HB2 H 3.808 0.000 2 596 . 148 LEU N N 124.601 0.000 . 597 . 148 LEU H H 8.676 0.009 . 598 . 148 LEU HA H 4.648 0.005 . 599 . 148 LEU HB2 H 1.830 0.000 . 600 . 148 LEU HB3 H 1.670 0.000 . 601 . 148 LEU HD1 H 0.861 0.001 . 602 . 148 LEU HD2 H 0.737 0.002 . 603 . 148 LEU CD1 C 24.337 0.000 . 604 . 148 LEU CD2 C 26.304 0.000 . 605 . 149 THR N N 121.621 0.000 . 606 . 149 THR H H 8.326 0.006 . 607 . 149 THR CA C 60.712 0.000 . 608 . 149 THR HA H 5.498 0.013 . 609 . 149 THR CB C 70.466 0.003 . 610 . 149 THR HB H 3.735 0.005 . 611 . 149 THR HG2 H 0.805 0.009 . 612 . 149 THR CG2 C 20.975 0.002 . 613 . 150 VAL N N 121.739 0.000 . 614 . 150 VAL H H 8.458 0.005 . 615 . 150 VAL HG1 H 0.797 0.000 . 616 . 150 VAL HG2 H 0.657 0.000 . 617 . 151 TRP N N 121.584 0.000 . 618 . 151 TRP H H 8.898 0.002 . 619 . 151 TRP HA H 4.850 0.000 . 620 . 151 TRP HB2 H 3.102 0.007 2 621 . 152 GLU N N 120.911 0.000 . 622 . 152 GLU H H 8.235 0.007 . 623 . 152 GLU CA C 57.017 0.000 . 624 . 152 GLU HA H 3.764 0.007 . 625 . 153 GLY N N 114.768 0.000 . 626 . 153 GLY H H 9.821 0.006 . 627 . 153 GLY HA3 H 4.428 0.000 . 628 . 153 GLY HA2 H 3.976 0.000 . 629 . 154 GLU N N 120.504 0.000 . 630 . 154 GLU H H 8.226 0.006 . 631 . 154 GLU HA H 4.455 0.005 . 632 . 154 GLU CB C 38.086 0.001 . 633 . 154 GLU HB2 H 2.266 0.006 . 634 . 154 GLU HB3 H 2.054 0.014 . 635 . 154 GLU CG C 38.085 0.016 . 636 . 154 GLU HG2 H 2.547 0.004 2 637 . 155 THR N N 121.521 0.000 . 638 . 155 THR H H 9.143 0.015 . 639 . 155 THR CA C 62.206 0.000 . 640 . 155 THR HA H 5.072 0.011 . 641 . 155 THR HB H 3.977 0.006 . 642 . 155 THR HG2 H 0.917 0.017 . 643 . 156 THR N N 127.923 0.000 . 644 . 156 THR H H 9.004 0.010 . 645 . 156 THR HA H 3.961 0.005 . 646 . 156 THR HG2 H 0.788 0.000 . 647 . 157 ILE N N 126.055 0.000 . 648 . 157 ILE H H 7.787 0.013 . 649 . 157 ILE HA H 4.191 0.011 . 650 . 157 ILE HG2 H 0.395 0.008 . 651 . 157 ILE CG2 C 13.187 0.001 . 652 . 157 ILE HG12 H 1.395 0.007 . 653 . 157 ILE HD1 H -0.526 0.012 . 654 . 157 ILE CD1 C 27.000 0.001 . 655 . 158 LEU N N 126.851 0.000 . 656 . 158 LEU H H 8.707 0.009 . 657 . 158 LEU HA H 4.646 0.001 . 658 . 158 LEU HD1 H 0.652 0.000 . 659 . 158 LEU HD2 H 0.452 0.008 . 660 . 158 LEU CD2 C 17.121 0.001 . 661 . 159 ASN N N 119.424 0.000 . 662 . 159 ASN H H 8.670 0.003 . 663 . 159 ASN CA C 53.729 0.000 . 664 . 159 ASN HA H 5.634 0.012 . 665 . 159 ASN HB2 H 2.948 0.008 2 666 . 160 CYS N N 122.940 0.000 . 667 . 160 CYS H H 9.181 0.007 . 668 . 160 CYS CA C 54.475 0.000 . 669 . 160 CYS HA H 5.422 0.011 . 670 . 160 CYS HB2 H 3.151 0.008 . 671 . 160 CYS HB3 H 2.871 0.000 . 672 . 161 SER N N 122.508 0.000 . 673 . 161 SER H H 9.340 0.008 . 674 . 161 SER CA C 57.578 0.001 . 675 . 161 SER HA H 5.443 0.010 . 676 . 161 SER HB2 H 4.029 0.005 . 677 . 161 SER HB3 H 3.873 0.005 . 678 . 162 TYR N N 116.710 0.000 . 679 . 162 TYR H H 7.817 0.001 . 680 . 162 TYR CA C 55.638 0.001 . 681 . 162 TYR HA H 5.605 0.005 . 682 . 162 TYR HB2 H 3.294 0.012 . 683 . 162 TYR HB3 H 2.924 0.004 . 684 . 162 TYR HD1 H 6.847 0.003 2 685 . 162 TYR HE1 H 7.269 0.009 2 686 . 163 GLU N N 116.032 0.000 . 687 . 163 GLU H H 8.450 0.005 . 688 . 163 GLU HA H 4.430 0.003 . 689 . 164 ASP N N 120.627 0.000 . 690 . 164 ASP H H 7.326 0.005 . 691 . 164 ASP HA H 4.312 0.002 . 692 . 165 SER N N 120.896 0.000 . 693 . 165 SER H H 8.559 0.003 . 694 . 165 SER HA H 4.740 0.000 . 695 . 165 SER HB2 H 4.111 0.000 . 696 . 165 SER HB3 H 3.999 0.000 . 697 . 166 THR N N 113.935 0.000 . 698 . 166 THR H H 9.144 0.002 . 699 . 166 THR HA H 4.382 0.000 . 700 . 166 THR HG2 H 1.187 0.002 . 701 . 167 PHE N N 122.200 0.000 . 702 . 167 PHE H H 7.382 0.003 . 703 . 167 PHE HA H 4.342 0.002 . 704 . 167 PHE HB2 H 3.015 0.000 . 705 . 167 PHE HB3 H 2.451 0.000 . 706 . 167 PHE HD1 H 6.861 0.004 2 707 . 168 ASP N N 118.530 0.000 . 708 . 168 ASP H H 8.857 0.002 . 709 . 168 ASP HA H 4.758 0.001 . 710 . 169 TYR N N 123.434 0.000 . 711 . 169 TYR H H 6.983 0.002 . 712 . 169 TYR CA C 57.999 0.000 . 713 . 169 TYR HA H 4.516 0.023 . 714 . 169 TYR HD1 H 6.613 0.011 2 715 . 169 TYR HE1 H 6.419 0.006 2 716 . 170 PHE N N 122.803 0.000 . 717 . 170 PHE H H 7.762 0.009 . 718 . 170 PHE HB2 H 2.661 0.000 . 719 . 170 PHE HD1 H 6.443 0.009 2 720 . 171 PRO HA H 4.708 0.010 . 721 . 172 TRP N N 117.574 0.000 . 722 . 172 TRP H H 9.006 0.010 . 723 . 172 TRP HA H 5.501 0.002 . 724 . 172 TRP HB2 H 2.975 0.000 . 725 . 172 TRP HB3 H 2.830 0.001 . 726 . 172 TRP HD1 H 7.191 0.003 . 727 . 173 TYR N N 122.231 0.000 . 728 . 173 TYR H H 9.479 0.002 . 729 . 173 TYR HA H 4.821 0.002 . 730 . 173 TYR HD1 H 6.449 0.005 2 731 . 173 TYR HE1 H 6.726 0.001 2 732 . 174 ARG N N 122.963 0.000 . 733 . 174 ARG H H 9.064 0.002 . 734 . 174 ARG HA H 4.618 0.000 . 735 . 175 GLN N N 129.484 0.000 . 736 . 175 GLN H H 9.125 0.003 . 737 . 175 GLN CA C 53.325 0.000 . 738 . 175 GLN HA H 4.474 0.013 . 739 . 176 PHE N N 132.130 0.000 . 740 . 176 PHE H H 9.250 0.002 . 741 . 176 PHE HA H 4.712 0.009 . 742 . 176 PHE HB2 H 3.339 0.000 . 743 . 176 PHE HB3 H 2.509 0.000 . 744 . 176 PHE HD1 H 7.439 0.006 . 745 . 177 PRO HA H 4.665 0.000 . 746 . 177 PRO HB2 H 2.164 0.000 . 747 . 177 PRO HB3 H 2.035 0.000 . 748 . 178 GLY N N 106.410 0.000 . 749 . 178 GLY H H 6.909 0.002 . 750 . 178 GLY HA3 H 3.762 0.000 . 751 . 178 GLY HA2 H 3.619 0.000 . 752 . 179 LYS N N 118.724 0.000 . 753 . 179 LYS H H 8.385 0.000 . 754 . 181 PRO HA H 4.031 0.010 . 755 . 182 ALA N N 121.367 0.000 . 756 . 182 ALA H H 8.145 0.004 . 757 . 182 ALA HA H 4.747 0.015 . 758 . 182 ALA HB H 1.413 0.009 . 759 . 182 ALA CB C 22.350 0.007 . 760 . 183 LEU N N 127.535 0.000 . 761 . 183 LEU H H 8.592 0.004 . 762 . 183 LEU HA H 4.623 0.000 . 763 . 183 LEU HB2 H 1.618 0.003 . 764 . 183 LEU HB3 H 1.356 0.022 . 765 . 183 LEU HG H 0.958 0.000 . 766 . 183 LEU HD1 H 0.517 0.003 . 767 . 183 LEU HD2 H 0.387 0.010 . 768 . 183 LEU CD1 C 26.194 0.004 . 769 . 183 LEU CD2 C 24.760 0.001 . 770 . 184 LEU N N 129.276 0.000 . 771 . 184 LEU H H 9.118 0.010 . 772 . 184 LEU HA H 4.364 0.005 . 773 . 184 LEU HD1 H 0.414 0.030 . 774 . 184 LEU HD2 H 0.220 0.024 . 775 . 184 LEU CD1 C 24.976 0.612 . 776 . 184 LEU CD2 C 21.395 0.000 . 777 . 185 ILE N N 114.829 0.000 . 778 . 185 ILE H H 7.338 0.003 . 779 . 185 ILE HA H 4.337 0.013 . 780 . 185 ILE HB H 1.832 0.008 . 781 . 185 ILE HG2 H 0.667 0.009 . 782 . 185 ILE CG2 C 15.716 0.013 . 783 . 185 ILE HG12 H 1.573 0.003 . 784 . 185 ILE HG13 H 1.594 0.002 . 785 . 185 ILE HD1 H 0.456 0.005 . 786 . 185 ILE CD1 C 14.317 0.001 . 787 . 186 ALA N N 127.474 0.000 . 788 . 186 ALA H H 8.278 0.007 . 789 . 186 ALA CA C 51.505 0.000 . 790 . 186 ALA HA H 5.076 0.011 . 791 . 186 ALA HB H 1.017 0.003 . 792 . 186 ALA CB C 24.151 0.002 . 793 . 187 ILE N N 118.314 0.000 . 794 . 187 ILE H H 7.271 0.001 . 795 . 187 ILE HA H 4.614 0.001 . 796 . 187 ILE HB H 1.811 0.000 . 797 . 187 ILE HG2 H 1.000 0.002 . 798 . 187 ILE HG12 H 1.526 0.000 . 799 . 187 ILE HG13 H 1.372 0.000 . 800 . 187 ILE HD1 H 0.705 0.000 . 801 . 188 SER N N 119.671 0.000 . 802 . 188 SER H H 7.864 0.004 . 803 . 188 SER CA C 56.745 0.000 . 804 . 188 SER HA H 5.256 0.011 . 805 . 188 SER HB2 H 3.987 0.009 . 806 . 188 SER HB3 H 3.744 0.000 . 807 . 189 LEU N N 116.865 0.000 . 808 . 189 LEU H H 7.675 0.002 . 809 . 189 LEU HA H 4.352 0.002 . 810 . 189 LEU HB2 H 1.949 0.002 2 811 . 189 LEU HD1 H 1.236 0.000 . 812 . 189 LEU HD2 H 1.127 0.001 . 813 . 190 VAL N N 110.512 0.000 . 814 . 190 VAL H H 7.249 0.004 . 815 . 190 VAL HA H 4.161 0.002 . 816 . 190 VAL HB H 1.866 0.000 . 817 . 190 VAL HG1 H 0.935 0.001 2 818 . 191 SER N N 117.420 0.000 . 819 . 191 SER H H 7.978 0.001 . 820 . 191 SER HA H 4.882 0.000 . 821 . 191 SER HB2 H 3.939 0.000 . 822 . 191 SER HB3 H 3.752 0.000 . 823 . 192 ASN N N 117.266 0.000 . 824 . 192 ASN H H 8.551 0.003 . 825 . 192 ASN HA H 4.744 0.000 . 826 . 192 ASN HB2 H 3.136 0.000 . 827 . 192 ASN HB3 H 2.907 0.001 . 828 . 193 LYS N N 121.306 0.000 . 829 . 193 LYS H H 7.783 0.002 . 830 . 193 LYS CA C 55.362 0.000 . 831 . 193 LYS HA H 5.094 0.009 . 832 . 194 LYS N N 125.531 0.000 . 833 . 194 LYS H H 8.459 0.002 . 834 . 194 LYS HA H 4.606 0.000 . 835 . 195 GLU HA H 4.951 0.006 . 836 . 196 ASP N N 124.729 0.000 . 837 . 196 ASP H H 9.126 0.004 . 838 . 196 ASP HA H 4.657 0.010 . 839 . 196 ASP HB2 H 2.884 0.005 . 840 . 196 ASP HB3 H 2.407 0.007 . 841 . 197 GLY N N 114.953 0.000 . 842 . 197 GLY H H 8.851 0.002 . 843 . 197 GLY HA3 H 4.040 0.001 . 844 . 197 GLY HA2 H 3.585 0.000 . 845 . 198 ARG N N 126.986 0.000 . 846 . 198 ARG H H 8.776 0.005 . 847 . 198 ARG HA H 3.939 0.000 . 848 . 199 PHE N N 119.054 0.000 . 849 . 199 PHE H H 7.896 0.001 . 850 . 199 PHE CA C 56.738 0.003 . 851 . 199 PHE HA H 5.088 0.012 . 852 . 199 PHE HB2 H 3.145 0.008 . 853 . 199 PHE HB3 H 2.568 0.006 . 854 . 199 PHE HD1 H 7.167 0.003 2 855 . 199 PHE HE1 H 7.289 0.000 2 856 . 200 THR N N 117.574 0.000 . 857 . 200 THR H H 8.661 0.006 . 858 . 200 THR CA C 61.287 0.001 . 859 . 200 THR HA H 5.117 0.012 . 860 . 200 THR HG2 H 0.270 0.008 . 861 . 201 ILE N N 124.112 0.000 . 862 . 201 ILE H H 8.901 0.002 . 863 . 201 ILE HA H 5.062 0.002 . 864 . 201 ILE HG2 H 0.801 0.000 . 865 . 201 ILE HG12 H 1.538 0.000 . 866 . 201 ILE HG13 H 1.333 0.000 . 867 . 201 ILE HD1 H 0.234 0.002 . 868 . 202 PHE N N 124.636 0.000 . 869 . 202 PHE H H 8.958 0.004 . 870 . 202 PHE HA H 4.870 0.006 . 871 . 202 PHE HB2 H 3.020 0.000 . 872 . 202 PHE HB3 H 2.722 0.000 . 873 . 202 PHE HD1 H 6.846 0.004 2 874 . 203 PHE N N 124.575 0.000 . 875 . 203 PHE H H 8.647 0.004 . 876 . 203 PHE CA C 55.223 0.000 . 877 . 203 PHE HA H 5.211 0.011 . 878 . 203 PHE HB2 H 3.166 0.011 . 879 . 203 PHE HB3 H 2.776 0.002 . 880 . 203 PHE HD1 H 7.197 0.003 2 881 . 204 ASN N N 128.430 0.000 . 882 . 204 ASN H H 8.730 0.004 . 883 . 204 ASN HA H 4.684 0.000 . 884 . 204 ASN HB2 H 2.962 0.008 . 885 . 204 ASN HB3 H 2.556 0.000 . 886 . 205 LYS N N 124.914 0.000 . 887 . 205 LYS H H 8.051 0.011 . 888 . 205 LYS CA C 59.003 0.004 . 889 . 205 LYS HA H 3.678 0.008 . 890 . 205 LYS HB2 H 1.850 0.002 . 891 . 205 LYS HB3 H 1.655 0.008 . 892 . 205 LYS HG2 H 1.505 0.013 . 893 . 205 LYS HG3 H 1.315 0.012 . 894 . 205 LYS HD2 H 1.164 0.000 2 895 . 206 ARG N N 119.178 0.000 . 896 . 206 ARG H H 8.106 0.004 . 897 . 206 ARG HA H 3.978 0.005 . 898 . 207 GLU N N 114.367 0.000 . 899 . 207 GLU H H 7.077 0.002 . 900 . 207 GLU HA H 4.178 0.000 . 901 . 208 LYS N N 118.530 0.000 . 902 . 208 LYS H H 7.664 0.003 . 903 . 208 LYS HA H 3.379 0.001 . 904 . 208 LYS HB2 H 1.573 0.000 2 905 . 209 LYS N N 113.570 0.000 . 906 . 209 LYS H H 7.402 0.007 . 907 . 209 LYS HA H 5.096 0.012 . 908 . 209 LYS HB2 H 1.791 0.010 2 909 . 209 LYS HG2 H 1.484 0.007 2 910 . 210 LEU N N 121.491 0.000 . 911 . 210 LEU H H 9.372 0.009 . 912 . 210 LEU HA H 5.446 0.008 . 913 . 210 LEU HB2 H 1.595 0.000 2 914 . 210 LEU HD1 H 0.671 0.007 . 915 . 210 LEU HD2 H 0.432 0.010 . 916 . 210 LEU CD1 C 27.335 0.000 . 917 . 210 LEU CD2 C 26.296 0.000 . 918 . 211 SER N N 114.768 0.000 . 919 . 211 SER H H 9.031 0.009 . 920 . 211 SER HA H 5.746 0.001 . 921 . 211 SER HB2 H 3.869 0.018 . 922 . 211 SER HB3 H 3.726 0.005 . 923 . 212 LEU N N 127.813 0.000 . 924 . 212 LEU H H 8.961 0.002 . 925 . 212 LEU HA H 4.778 0.001 . 926 . 212 LEU HB2 H 1.628 0.000 2 927 . 212 LEU HD1 H 0.654 0.006 . 928 . 212 LEU HD2 H -0.782 0.000 . 929 . 213 HIS N N 125.623 0.000 . 930 . 213 HIS H H 9.832 0.001 . 931 . 213 HIS CA C 52.601 0.015 . 932 . 213 HIS HA H 5.813 0.019 . 933 . 213 HIS HB2 H 3.534 0.013 . 934 . 213 HIS HB3 H 3.208 0.005 . 935 . 213 HIS HD2 H 6.926 0.001 . 936 . 213 HIS HE1 H 8.656 0.000 . 937 . 214 ILE N N 123.526 0.000 . 938 . 214 ILE H H 8.985 0.004 . 939 . 214 ILE CA C 60.448 0.000 . 940 . 214 ILE HA H 4.461 0.014 . 941 . 214 ILE HG2 H 0.897 0.000 . 942 . 214 ILE HG12 H 1.521 0.002 2 943 . 214 ILE HD1 H 0.340 0.009 . 944 . 215 THR N N 121.367 0.000 . 945 . 215 THR H H 8.790 0.004 . 946 . 215 THR HA H 4.201 0.004 . 947 . 215 THR HB H 3.923 0.000 . 948 . 215 THR HG2 H 1.183 0.002 . 949 . 216 ASP N N 121.521 0.000 . 950 . 216 ASP H H 8.898 0.001 . 951 . 216 ASP CA C 53.782 0.000 . 952 . 216 ASP HA H 3.952 0.014 . 953 . 216 ASP HB2 H 2.282 0.000 2 954 . 217 SER N N 111.344 0.000 . 955 . 217 SER H H 7.593 0.003 . 956 . 217 SER HA H 3.927 0.000 . 957 . 217 SER HB2 H 3.679 0.002 . 958 . 217 SER HB3 H 3.516 0.003 . 959 . 218 GLN N N 123.927 0.000 . 960 . 218 GLN H H 9.674 0.002 . 961 . 218 GLN HA H 4.802 0.001 . 962 . 219 PRO HA H 3.777 0.000 . 963 . 219 PRO HB2 H 2.205 0.000 . 964 . 220 GLY N N 104.313 0.000 . 965 . 220 GLY H H 8.644 0.001 . 966 . 220 GLY HA3 H 4.745 0.002 . 967 . 220 GLY HA2 H 4.148 0.004 . 968 . 221 ASP N N 117.778 0.000 . 969 . 221 ASP H H 8.662 0.002 . 970 . 221 ASP HA H 5.737 0.003 . 971 . 222 SER N N 118.653 0.000 . 972 . 222 SER H H 8.002 0.003 . 973 . 222 SER HB2 H 4.381 0.000 . 974 . 222 SER HB3 H 4.199 0.000 . 975 . 223 ALA N N 125.777 0.000 . 976 . 223 ALA H H 8.531 0.005 . 977 . 223 ALA CA C 51.956 0.000 . 978 . 223 ALA HA H 4.299 0.016 . 979 . 223 ALA HB H 1.501 0.000 . 980 . 224 THR N N 115.076 0.000 . 981 . 224 THR H H 7.991 0.004 . 982 . 224 THR CA C 62.679 0.000 . 983 . 224 THR HA H 5.001 0.008 . 984 . 224 THR HB H 3.706 0.012 . 985 . 224 THR HG2 H 0.731 0.007 . 986 . 224 THR CG2 C 20.318 0.000 . 987 . 225 TYR N N 125.639 0.000 . 988 . 225 TYR H H 8.710 0.010 . 989 . 225 TYR HA H 4.727 0.000 . 990 . 225 TYR HB3 H 2.875 0.003 . 991 . 225 TYR HD1 H 6.774 0.004 2 992 . 226 PHE N N 123.865 0.000 . 993 . 226 PHE H H 10.030 0.007 . 994 . 226 PHE HA H 4.826 0.001 . 995 . 226 PHE HB2 H 2.971 0.000 . 996 . 226 PHE HB3 H 2.766 0.007 . 997 . 226 PHE HD1 H 6.825 0.005 2 998 . 226 PHE HE1 H 7.161 0.007 2 999 . 227 CYS N N 122.601 0.000 . 1000 . 227 CYS H H 7.769 0.002 . 1001 . 227 CYS HA H 4.735 0.001 . 1002 . 228 ALA N N 129.324 0.000 . 1003 . 228 ALA H H 7.578 0.008 . 1004 . 228 ALA CA C 50.047 0.001 . 1005 . 228 ALA HA H 4.967 0.016 . 1006 . 228 ALA HB H 0.359 0.006 . 1007 . 228 ALA CB C 22.506 0.000 . 1008 . 229 ALA N N 113.821 0.000 . 1009 . 229 ALA H H 7.442 0.004 . 1010 . 229 ALA HA H 4.708 0.006 . 1011 . 229 ALA HB H 0.267 0.003 . 1012 . 229 ALA CB C 24.722 0.001 . 1013 . 230 THR N N 111.869 0.000 . 1014 . 230 THR H H 7.608 0.007 . 1015 . 230 THR CA C 60.243 0.010 . 1016 . 230 THR HA H 3.864 0.004 . 1017 . 230 THR HB H 4.754 0.000 . 1018 . 230 THR HG2 H 0.959 0.007 . 1019 . 231 GLY N N 113.133 0.000 . 1020 . 231 GLY H H 8.116 0.009 . 1021 . 231 GLY HA3 H 4.738 0.000 . 1022 . 232 SER N N 118.869 0.000 . 1023 . 232 SER H H 8.672 0.003 . 1024 . 232 SER HA H 4.085 0.006 . 1025 . 232 SER HB2 H 3.843 0.000 . 1026 . 232 SER HB3 H 3.652 0.001 . 1027 . 233 PHE N N 118.962 0.000 . 1028 . 233 PHE H H 8.288 0.002 . 1029 . 233 PHE HA H 4.517 0.005 . 1030 . 233 PHE HB2 H 3.179 0.000 . 1031 . 233 PHE HB3 H 3.009 0.000 . 1032 . 233 PHE HD1 H 7.225 0.005 2 1033 . 233 PHE HE1 H 7.056 0.000 2 1034 . 234 ASN N N 116.279 0.000 . 1035 . 234 ASN H H 8.149 0.003 . 1036 . 234 ASN HA H 4.735 0.000 . 1037 . 235 LYS N N 120.658 0.000 . 1038 . 235 LYS H H 7.673 0.002 . 1039 . 235 LYS HA H 4.128 0.001 . 1040 . 236 LEU N N 121.676 0.000 . 1041 . 236 LEU H H 8.443 0.005 . 1042 . 236 LEU HA H 3.984 0.001 . 1043 . 237 THR N N 120.535 0.000 . 1044 . 237 THR H H 8.099 0.010 . 1045 . 237 THR HA H 4.501 0.003 . 1046 . 237 THR CB C 70.208 0.000 . 1047 . 237 THR HB H 3.826 0.004 . 1048 . 237 THR HG2 H 1.297 0.005 . 1049 . 237 THR CG2 C 21.958 0.014 . 1050 . 238 PHE N N 124.390 0.000 . 1051 . 238 PHE H H 9.073 0.008 . 1052 . 238 PHE HA H 4.629 0.004 . 1053 . 238 PHE HB2 H 3.162 0.000 . 1054 . 238 PHE HB3 H 3.090 0.001 . 1055 . 238 PHE HD1 H 6.776 0.003 2 1056 . 238 PHE HE1 H 6.272 0.001 2 1057 . 239 GLY N N 108.415 0.000 . 1058 . 239 GLY H H 9.114 0.006 . 1059 . 239 GLY HA3 H 4.417 0.000 . 1060 . 239 GLY HA2 H 3.912 0.000 . 1061 . 240 ALA N N 115.662 0.000 . 1062 . 240 ALA H H 8.400 0.014 . 1063 . 240 ALA CA C 53.366 0.020 . 1064 . 240 ALA HA H 4.138 0.015 . 1065 . 240 ALA HB H 1.457 0.007 . 1066 . 240 ALA CB C 19.421 0.002 . 1067 . 241 GLY N N 104.868 0.000 . 1068 . 241 GLY H H 7.364 0.007 . 1069 . 241 GLY HA3 H 3.596 0.015 . 1070 . 241 GLY HA2 H 3.459 0.000 . 1071 . 242 THR N N 117.102 0.000 . 1072 . 242 THR H H 7.938 0.003 . 1073 . 242 THR HA H 4.670 0.001 . 1074 . 242 THR HG2 H 0.883 0.007 . 1075 . 243 ARG N N 128.985 0.000 . 1076 . 243 ARG H H 8.335 0.012 . 1077 . 243 ARG HA H 4.477 0.010 . 1078 . 244 LEU N N 130.928 0.000 . 1079 . 244 LEU H H 9.139 0.008 . 1080 . 244 LEU HA H 5.145 0.015 . 1081 . 244 LEU HB2 H 1.484 0.000 2 1082 . 244 LEU HD1 H 0.774 0.002 . 1083 . 244 LEU HD2 H 0.256 0.005 . 1084 . 244 LEU CD1 C 24.613 0.000 . 1085 . 244 LEU CD2 C 22.351 0.001 . 1086 . 245 ALA N N 131.668 0.000 . 1087 . 245 ALA H H 8.953 0.012 . 1088 . 245 ALA HA H 4.664 0.000 . 1089 . 245 ALA HB H 1.327 0.006 . 1090 . 245 ALA CB C 21.195 0.001 . 1091 . 246 VAL N N 122.663 0.000 . 1092 . 246 VAL H H 8.061 0.004 . 1093 . 246 VAL HA H 4.645 0.000 . 1094 . 246 VAL HB H 1.762 0.000 . 1095 . 246 VAL HG1 H 0.586 0.002 . 1096 . 246 VAL HG2 H 0.244 0.002 . 1097 . 247 SER N N 124.760 0.000 . 1098 . 247 SER H H 8.860 0.002 . 1099 . 247 SER HA H 4.734 0.000 . 1100 . 247 SER HB2 H 3.555 0.004 . 1101 . 247 SER HB3 H 3.201 0.000 . stop_ save_