data_5142 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N resonances of Human Lysozyme at 4 C ; _BMRB_accession_number 5142 _BMRB_flat_file_name bmr5142.str _Entry_type original _Submission_date 2001-09-06 _Accession_date 2001-09-07 _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 Kumeta Hiroyuki . . 2 Kobashigawa Yoshihiro . . 3 Miura Kazunori . . 4 Nishimiya Yoshiyuki . . 5 Oka Chitoshi . . 6 Nemoto Nobuaki . . 7 Miura Ai . . 8 Nitta Katsutoshi . . 9 Tsuda Sakae . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 584 "13C chemical shifts" 374 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-05-06 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 5130 'human lysozyme at 35 C' stop_ _Original_release_date 2001-09-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignments of 1H, 13C and 15N Resonances of Human Lysozyme at 4 degrees C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21880664 _PubMed_ID 11883780 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumeta Hiroyuki . . 2 Kobashigawa Yoshihiro . . 3 Miura Kazunori . . 4 Nishimiya Yoshiyuki . . 5 Oka Chitoshi . . 6 Nemoto Nobuaki . . 7 Miura Ai . . 8 Nitta Katsutoshi . . 9 Tsuda Sakae . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 184 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_human_lysozyme _Saveframe_category molecular_system _Mol_system_name 'human lysozyme' _Abbreviation_common 'human lysozyme' _Enzyme_commission_number 3.2.1.17 loop_ _Mol_system_component_name _Mol_label 'human lysozyme' $human_lysozyme stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_human_lysozyme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human lysozyme' _Abbreviation_common 'human lysozyme' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; KVFERCELARTLKRLGMDGY RGISLANWMCLAKWESGYNT RATNYNAGDRSTDYGIFQIN SRYWCNDGKTPGAVNACHLS CSALLQDNIADAVACAKRVV RDPQGIRAWVAWRNRCQNRD VRQYVQGCGV ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 VAL 3 PHE 4 GLU 5 ARG 6 CYS 7 GLU 8 LEU 9 ALA 10 ARG 11 THR 12 LEU 13 LYS 14 ARG 15 LEU 16 GLY 17 MET 18 ASP 19 GLY 20 TYR 21 ARG 22 GLY 23 ILE 24 SER 25 LEU 26 ALA 27 ASN 28 TRP 29 MET 30 CYS 31 LEU 32 ALA 33 LYS 34 TRP 35 GLU 36 SER 37 GLY 38 TYR 39 ASN 40 THR 41 ARG 42 ALA 43 THR 44 ASN 45 TYR 46 ASN 47 ALA 48 GLY 49 ASP 50 ARG 51 SER 52 THR 53 ASP 54 TYR 55 GLY 56 ILE 57 PHE 58 GLN 59 ILE 60 ASN 61 SER 62 ARG 63 TYR 64 TRP 65 CYS 66 ASN 67 ASP 68 GLY 69 LYS 70 THR 71 PRO 72 GLY 73 ALA 74 VAL 75 ASN 76 ALA 77 CYS 78 HIS 79 LEU 80 SER 81 CYS 82 SER 83 ALA 84 LEU 85 LEU 86 GLN 87 ASP 88 ASN 89 ILE 90 ALA 91 ASP 92 ALA 93 VAL 94 ALA 95 CYS 96 ALA 97 LYS 98 ARG 99 VAL 100 VAL 101 ARG 102 ASP 103 PRO 104 GLN 105 GLY 106 ILE 107 ARG 108 ALA 109 TRP 110 VAL 111 ALA 112 TRP 113 ARG 114 ASN 115 ARG 116 CYS 117 GLN 118 ASN 119 ARG 120 ASP 121 VAL 122 ARG 123 GLN 124 TYR 125 VAL 126 GLN 127 GLY 128 CYS 129 GLY 130 VAL 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 $human_lysozyme Human 9606 Eukaryota Metazoa Homo sapiens 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 $human_lysozyme 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_lysozyme 1.0 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-edited_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label . save_ save_15N-edited_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY' _Sample_label . save_ save_CBCA(CO)NNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_13C-edited_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label . save_ save_1H-13C-1H_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_HL04-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.8 0.1 n/a temperature 277 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N-edited NOESY' '15N-edited TOCSY' CBCA(CO)NNH HNCACB '13C-edited NOESY' '1H-13C-1H HCCH-TOCSY' '1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $HL04-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'human lysozyme' _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 LYS C C 171.253 . . 2 . 1 LYS CA C 56.127 . . 3 . 1 LYS HA H 3.895 . . 4 . 1 LYS CB C 34.463 . . 5 . 1 LYS HB2 H 1.676 . . 6 . 1 LYS HG3 H 0.96 . . 7 . 1 LYS HD2 H 0.627 . . 8 . 2 VAL N N 127.406 . . 9 . 2 VAL H H 9.083 . . 10 . 2 VAL C C 177.657 . . 11 . 2 VAL CA C 62.001 . . 12 . 2 VAL HA H 4.863 . . 13 . 2 VAL CB C 32.258 . . 14 . 2 VAL HB H 1.97 . . 15 . 2 VAL HG1 H 0.886 . . 16 . 2 VAL HG2 H 0.891 . . 17 . 3 PHE N N 128.035 . . 18 . 3 PHE H H 9.005 . . 19 . 3 PHE C C 176.277 . . 20 . 3 PHE CA C 59.954 . . 21 . 3 PHE HA H 4.076 . . 22 . 3 PHE CB C 41.925 . . 23 . 3 PHE HB2 H 2.978 . . 24 . 3 PHE HB3 H 2.757 . . 25 . 4 GLU N N 120.952 . . 26 . 4 GLU H H 8.473 . . 27 . 4 GLU C C 176.731 . . 28 . 4 GLU CA C 56.73 . . 29 . 4 GLU HA H 4.339 . . 30 . 4 GLU CB C 30.395 . . 31 . 4 GLU HB2 H 2.373 . . 32 . 4 GLU HB3 H 2.604 . . 33 . 4 GLU HG2 H 2.031 . . 34 . 4 GLU HG3 H 2.219 . . 35 . 5 ARG N N 126.077 . . 36 . 5 ARG H H 8.684 . . 37 . 5 ARG C C 177.005 . . 38 . 5 ARG CA C 61.406 . . 39 . 5 ARG HA H 4.341 . . 40 . 5 ARG CB C 32.691 . . 41 . 5 ARG HB2 H 2.467 . . 42 . 5 ARG HG2 H 1.919 . . 43 . 5 ARG HD3 H 3.19 . . 44 . 6 CYS N N 114.923 . . 45 . 6 CYS H H 8.972 . . 46 . 6 CYS C C 177.364 . . 47 . 6 CYS CA C 55.016 . . 48 . 6 CYS HA H 4.741 . . 49 . 6 CYS CB C 33.163 . . 50 . 6 CYS HB2 H 3.156 . . 51 . 6 CYS HB3 H 2.955 . . 52 . 7 GLU N N 124.142 . . 53 . 7 GLU H H 8.079 . . 54 . 7 GLU C C 180.392 . . 55 . 7 GLU CA C 59.48 . . 56 . 7 GLU HA H 4.122 . . 57 . 7 GLU CB C 30.164 . . 58 . 7 GLU HB2 H 2.625 . . 59 . 7 GLU HB3 H 2.478 . . 60 . 7 GLU HG2 H 2.215 . . 61 . 7 GLU HG3 H 2.091 . . 62 . 8 LEU N N 122.132 . . 63 . 8 LEU H H 8.599 . . 64 . 8 LEU C C 177.425 . . 65 . 8 LEU CA C 58.208 . . 66 . 8 LEU HA H 3.675 . . 67 . 8 LEU CB C 40.062 . . 68 . 8 LEU HB2 H 1.553 . . 69 . 8 LEU HG H 0.774 . . 70 . 8 LEU HD1 H -0.314 . . 71 . 8 LEU HD2 H 0.369 . . 72 . 9 ALA N N 123.241 . . 73 . 9 ALA H H 8.447 . . 74 . 9 ALA C C 179.343 . . 75 . 9 ALA CA C 57.115 . . 76 . 9 ALA HA H 3.991 . . 77 . 9 ALA CB C 18.343 . . 78 . 9 ALA HB H 1.504 . . 79 . 10 ARG N N 115.307 . . 80 . 10 ARG H H 8.463 . . 81 . 10 ARG C C 179.647 . . 82 . 10 ARG CA C 60.646 . . 83 . 10 ARG HA H 3.864 . . 84 . 10 ARG CB C 31.519 . . 85 . 10 ARG HB2 H 1.825 . . 86 . 10 ARG HG2 H 1.517 . . 87 . 10 ARG HD3 H 0.749 . . 88 . 11 THR N N 119.199 . . 89 . 11 THR H H 7.875 . . 90 . 11 THR C C 175.605 . . 91 . 11 THR CA C 67.832 . . 92 . 11 THR HA H 3.928 . . 93 . 11 THR CB C 69.351 . . 94 . 11 THR HB H 4.242 . . 95 . 11 THR HG2 H 1.199 . . 96 . 12 LEU N N 119.399 . . 97 . 12 LEU H H 8.895 . . 98 . 12 LEU C C 178.869 . . 99 . 12 LEU CA C 58.344 . . 100 . 12 LEU HA H 3.629 . . 101 . 12 LEU CB C 41.737 . . 102 . 12 LEU HB2 H 1.889 . . 103 . 12 LEU HB3 H 0.72 . . 104 . 12 LEU HG H 1.643 . . 105 . 12 LEU HD1 H 0.614 . . 106 . 12 LEU HD2 H 0.506 . . 107 . 13 LYS N N 119.492 . . 108 . 13 LYS H H 8.245 . . 109 . 13 LYS C C 180.73 . . 110 . 13 LYS CA C 59.426 . . 111 . 13 LYS HA H 4.063 . . 112 . 13 LYS CB C 33.36 . . 113 . 13 LYS HB2 H 2.165 . . 114 . 13 LYS HG3 H 1.909 . . 115 . 13 LYS HD2 H 0.978 . . 116 . 13 LYS HE2 H 3.855 . . 117 . 13 LYS HE3 H 3.621 . . 118 . 14 ARG N N 122.142 . . 119 . 14 ARG H H 8.041 . . 120 . 14 ARG C C 177.731 . . 121 . 14 ARG CA C 59.807 . . 122 . 14 ARG HA H 4.17 . . 123 . 14 ARG CB C 30.565 . . 124 . 14 ARG HB2 H 2.052 . . 125 . 14 ARG HG2 H 1.767 . . 126 . 14 ARG HD3 H 3.268 . . 127 . 15 LEU N N 117.106 . . 128 . 15 LEU H H 7.555 . . 129 . 15 LEU C C 176.717 . . 130 . 15 LEU CA C 55.008 . . 131 . 15 LEU HA H 4.399 . . 132 . 15 LEU CB C 42.254 . . 133 . 15 LEU HB2 H 1.509 . . 134 . 15 LEU HG H 1.81 . . 135 . 15 LEU HD1 H 0.709 . . 136 . 15 LEU HD2 H 0.832 . . 137 . 16 GLY N N 106.457 . . 138 . 16 GLY H H 7.573 . . 139 . 16 GLY C C 176.309 . . 140 . 16 GLY CA C 47.965 . . 141 . 16 GLY HA2 H 4.093 . . 142 . 16 GLY HA3 H 3.883 . . 143 . 17 MET N N 114.343 . . 144 . 17 MET H H 7.484 . . 145 . 17 MET C C 178.057 . . 146 . 17 MET CA C 57.571 . . 147 . 17 MET HA H 3.941 . . 148 . 17 MET CB C 34.945 . . 149 . 17 MET HB2 H 1.326 . . 150 . 17 MET HB3 H 1.225 . . 151 . 17 MET HG2 H 1.664 . . 152 . 17 MET HG3 H 1.45 . . 153 . 18 ASP N N 118.94 . . 154 . 18 ASP H H 9.19 . . 155 . 18 ASP C C 176.106 . . 156 . 18 ASP CA C 56.462 . . 157 . 18 ASP HA H 4.427 . . 158 . 18 ASP CB C 41.84 . . 159 . 18 ASP HB2 H 3.291 . . 160 . 18 ASP HB3 H 2.361 . . 161 . 19 GLY N N 120.204 . . 162 . 19 GLY H H 9.153 . . 163 . 19 GLY C C 175.43 . . 164 . 19 GLY CA C 46.293 . . 165 . 19 GLY HA2 H 4.195 . . 166 . 19 GLY HA3 H 3.327 . . 167 . 20 TYR N N 126.6 . . 168 . 20 TYR H H 8.003 . . 169 . 20 TYR C C 176.725 . . 170 . 20 TYR CA C 61.31 . . 171 . 20 TYR HA H 4.131 . . 172 . 20 TYR CB C 39.243 . . 173 . 20 TYR HB2 H 3.083 . . 174 . 20 TYR HB3 H 3.343 . . 175 . 21 ARG N N 126.018 . . 176 . 21 ARG H H 9.13 . . 177 . 21 ARG C C 176.114 . . 178 . 21 ARG CA C 56.866 . . 179 . 21 ARG HA H 3.585 . . 180 . 21 ARG CB C 27.627 . . 181 . 21 ARG HB2 H 2.034 . . 182 . 21 ARG HB3 H 1.665 . . 183 . 21 ARG HG2 H 1.092 . . 184 . 21 ARG HD3 H 2.936 . . 185 . 22 GLY N N 103.475 . . 186 . 22 GLY H H 7.869 . . 187 . 22 GLY C C 174.637 . . 188 . 22 GLY CA C 45.885 . . 189 . 22 GLY HA2 H 4.02 . . 190 . 22 GLY HA3 H 3.584 . . 191 . 23 ILE N N 125.218 . . 192 . 23 ILE H H 7.834 . . 193 . 23 ILE C C 175.648 . . 194 . 23 ILE CA C 61.587 . . 195 . 23 ILE HA H 3.807 . . 196 . 23 ILE CB C 38.688 . . 197 . 23 ILE HB H 1.985 . . 198 . 23 ILE HG12 H 1.296 . . 199 . 23 ILE HG2 H -0.315 . . 200 . 23 ILE HD1 H 0.588 . . 201 . 24 SER N N 123.367 . . 202 . 24 SER H H 8.984 . . 203 . 24 SER C C 175.041 . . 204 . 24 SER CA C 58.098 . . 205 . 24 SER HA H 4.418 . . 206 . 24 SER CB C 65.749 . . 207 . 24 SER HB2 H 3.802 . . 208 . 24 SER HB3 H 4.162 . . 209 . 25 LEU N N 121.831 . . 210 . 25 LEU H H 8.813 . . 211 . 25 LEU C C 178.114 . . 212 . 25 LEU CA C 58.708 . . 213 . 25 LEU HA H 4.206 . . 214 . 25 LEU CB C 42.925 . . 215 . 25 LEU HB2 H 1.995 . . 216 . 25 LEU HG H 1.347 . . 217 . 25 LEU HD1 H 0.976 . . 218 . 25 LEU HD2 H 0.999 . . 219 . 26 ALA N N 118.933 . . 220 . 26 ALA H H 8.991 . . 221 . 26 ALA C C 179.237 . . 222 . 26 ALA CA C 56.62 . . 223 . 26 ALA HA H 3.863 . . 224 . 26 ALA CB C 18.977 . . 225 . 26 ALA HB H 1.551 . . 226 . 27 ASN N N 117.298 . . 227 . 27 ASN H H 7.793 . . 228 . 27 ASN C C 177.864 . . 229 . 27 ASN CA C 58.891 . . 230 . 27 ASN HA H 4.575 . . 231 . 27 ASN CB C 41.286 . . 232 . 27 ASN HB2 H 3.058 . . 233 . 27 ASN HB3 H 2.121 . . 234 . 28 TRP N N 120.415 . . 235 . 28 TRP H H 7.891 . . 236 . 28 TRP C C 178.819 . . 237 . 28 TRP CA C 61.04 . . 238 . 28 TRP HA H 4.39 . . 239 . 28 TRP CB C 31.271 . . 240 . 28 TRP HB2 H 3.356 . . 241 . 28 TRP HB3 H 3.056 . . 242 . 29 MET N N 116.797 . . 243 . 29 MET H H 8.463 . . 244 . 29 MET C C 177.167 . . 245 . 29 MET CA C 55.891 . . 246 . 29 MET HA H 4.428 . . 247 . 29 MET CB C 31.392 . . 248 . 29 MET HB2 H 2.337 . . 249 . 29 MET HG3 H 2.061 . . 250 . 30 CYS N N 120.053 . . 251 . 30 CYS H H 8.103 . . 252 . 30 CYS C C 175.899 . . 253 . 30 CYS CA C 61.265 . . 254 . 30 CYS HA H 2.952 . . 255 . 30 CYS CB C 45.161 . . 256 . 30 CYS HB2 H 3.143 . . 257 . 31 LEU N N 118.492 . . 258 . 31 LEU H H 8.154 . . 259 . 31 LEU C C 177.524 . . 260 . 31 LEU CA C 59.531 . . 261 . 31 LEU HA H 4.003 . . 262 . 31 LEU CB C 42.733 . . 263 . 31 LEU HB2 H 2.418 . . 264 . 31 LEU HG H 1.491 . . 265 . 31 LEU HD1 H -0.142 . . 266 . 31 LEU HD2 H 0.478 . . 267 . 32 ALA N N 119.309 . . 268 . 32 ALA H H 8.441 . . 269 . 32 ALA C C 179.686 . . 270 . 32 ALA CA C 55.724 . . 271 . 32 ALA HA H 4.079 . . 272 . 32 ALA CB C 19.193 . . 273 . 32 ALA HB H 1.383 . . 274 . 33 LYS N N 120.04 . . 275 . 33 LYS H H 8.827 . . 276 . 33 LYS C C 180.199 . . 277 . 33 LYS CA C 61.323 . . 278 . 33 LYS HA H 4.193 . . 279 . 33 LYS CB C 31.398 . . 280 . 33 LYS HB2 H 2.134 . . 281 . 33 LYS HG2 H 0.679 . . 282 . 33 LYS HG3 H 0.463 . . 283 . 33 LYS HD2 H 1.476 . . 284 . 33 LYS HE3 H 2.664 . . 285 . 34 TRP N N 118.491 . . 286 . 34 TRP H H 7.82 . . 287 . 34 TRP C C 178.049 . . 288 . 34 TRP CA C 59.805 . . 289 . 34 TRP HA H 4.281 . . 290 . 34 TRP CB C 29.553 . . 291 . 34 TRP HB2 H 3.317 . . 292 . 34 TRP HB3 H 2.798 . . 293 . 35 GLU N N 116.789 . . 294 . 35 GLU H H 8.825 . . 295 . 35 GLU C C 177.157 . . 296 . 35 GLU CA C 58.242 . . 297 . 35 GLU HA H 4.449 . . 298 . 35 GLU CB C 28.114 . . 299 . 35 GLU HB2 H 2.05 . . 300 . 35 GLU HB3 H 1.942 . . 301 . 35 GLU HG3 H 2.694 . . 302 . 36 SER N N 108.284 . . 303 . 36 SER H H 7.962 . . 304 . 36 SER C C 176.938 . . 305 . 36 SER CA C 58.59 . . 306 . 36 SER HA H 4.662 . . 307 . 36 SER CB C 68.435 . . 308 . 36 SER HB2 H 4.444 . . 309 . 36 SER HB3 H 3.553 . . 310 . 37 GLY N N 116.251 . . 311 . 37 GLY H H 8.163 . . 312 . 37 GLY C C 174.629 . . 313 . 37 GLY CA C 48.11 . . 314 . 37 GLY HA2 H 3.721 . . 315 . 37 GLY HA3 H 3.453 . . 316 . 38 TYR N N 109.181 . . 317 . 38 TYR H H 7.4 . . 318 . 38 TYR C C 173.335 . . 319 . 38 TYR CA C 57.081 . . 320 . 38 TYR HA H 3.693 . . 321 . 38 TYR CB C 37.427 . . 322 . 38 TYR HB2 H 3.817 . . 323 . 38 TYR HB3 H 3.194 . . 324 . 39 ASN N N 117.491 . . 325 . 39 ASN H H 7.127 . . 326 . 39 ASN C C 176.728 . . 327 . 39 ASN CA C 52.054 . . 328 . 39 ASN HA H 5.528 . . 329 . 39 ASN CB C 40.904 . . 330 . 39 ASN HB2 H 3.507 . . 331 . 39 ASN HB3 H 2.72 . . 332 . 39 ASN HD21 H 7.868 . . 333 . 39 ASN HD22 H 7.237 . . 334 . 40 THR N N 115.735 . . 335 . 40 THR H H 9.273 . . 336 . 40 THR C C 174.403 . . 337 . 40 THR CA C 65.165 . . 338 . 40 THR HA H 4.048 . . 339 . 40 THR CB C 70.094 . . 340 . 40 THR HB H 1.55 . . 341 . 40 THR HG2 H 1.587 . . 342 . 41 ARG N N 114.472 . . 343 . 41 ARG H H 7.673 . . 344 . 41 ARG C C 176.629 . . 345 . 41 ARG CA C 55.683 . . 346 . 41 ARG HA H 4.462 . . 347 . 41 ARG CB C 30.578 . . 348 . 41 ARG HB2 H 1.681 . . 349 . 41 ARG HB3 H 1.567 . . 350 . 41 ARG HG2 H 2.091 . . 351 . 41 ARG HD3 H 3.224 . . 352 . 42 ALA N N 123.168 . . 353 . 42 ALA H H 6.831 . . 354 . 42 ALA C C 176.954 . . 355 . 42 ALA CA C 54.07 . . 356 . 42 ALA HA H 4.155 . . 357 . 42 ALA CB C 19.66 . . 358 . 42 ALA HB H 1.338 . . 359 . 43 THR N N 114.391 . . 360 . 43 THR H H 8.403 . . 361 . 43 THR C C 173.456 . . 362 . 43 THR CA C 60.934 . . 363 . 43 THR HA H 5.294 . . 364 . 43 THR CB C 73.288 . . 365 . 43 THR HB H 3.772 . . 366 . 43 THR HG2 H 1.119 . . 367 . 44 ASN N N 119.188 . . 368 . 44 ASN H H 8.127 . . 369 . 44 ASN C C 172.839 . . 370 . 44 ASN CA C 53.951 . . 371 . 44 ASN HA H 5.027 . . 372 . 44 ASN CB C 43.94 . . 373 . 44 ASN HB2 H 2.765 . . 374 . 44 ASN HD21 H 7.789 . . 375 . 44 ASN HD22 H 6.952 . . 376 . 45 TYR N N 127.981 . . 377 . 45 TYR H H 9.16 . . 378 . 45 TYR C C 173.892 . . 379 . 45 TYR CA C 58.2 . . 380 . 45 TYR HA H 4.842 . . 381 . 45 TYR CB C 40.544 . . 382 . 45 TYR HB2 H 3.022 . . 383 . 45 TYR HB3 H 2.79 . . 384 . 46 ASN N N 128.288 . . 385 . 46 ASN H H 8.956 . . 386 . 46 ASN C C 173.053 . . 387 . 46 ASN CA C 52.147 . . 388 . 46 ASN HA H 4.692 . . 389 . 46 ASN CB C 39.772 . . 390 . 46 ASN HB2 H 2.773 . . 391 . 46 ASN HB3 H 2.69 . . 392 . 46 ASN HD21 H 7.145 . . 393 . 46 ASN HD22 H 6.899 . . 394 . 47 ALA N N 125.566 . . 395 . 47 ALA H H 8.65 . . 396 . 47 ALA C C 179.686 . . 397 . 47 ALA CA C 55.059 . . 398 . 47 ALA HA H 3.69 . . 399 . 47 ALA CB C 18.973 . . 400 . 47 ALA HB H 1.454 . . 401 . 48 GLY N N 104.629 . . 402 . 48 GLY H H 8.662 . . 403 . 48 GLY C C 174.844 . . 404 . 48 GLY CA C 47.752 . . 405 . 48 GLY HA2 H 3.808 . . 406 . 49 ASP N N 116.871 . . 407 . 49 ASP H H 7.184 . . 408 . 49 ASP C C 175.34 . . 409 . 49 ASP CA C 52.864 . . 410 . 49 ASP HA H 4.708 . . 411 . 49 ASP CB C 41.09 . . 412 . 49 ASP HB2 H 2.927 . . 413 . 49 ASP HB3 H 2.419 . . 414 . 50 ARG N N 114.376 . . 415 . 50 ARG H H 7.911 . . 416 . 50 ARG C C 174.336 . . 417 . 50 ARG CA C 58.244 . . 418 . 50 ARG HA H 3.849 . . 419 . 50 ARG CB C 27.626 . . 420 . 50 ARG HB2 H 2.258 . . 421 . 50 ARG HB3 H 2.059 . . 422 . 50 ARG HG2 H 1.617 . . 423 . 50 ARG HD3 H 3.251 . . 424 . 51 SER N N 114.448 . . 425 . 51 SER H H 8.065 . . 426 . 51 SER C C 171.471 . . 427 . 51 SER CA C 57.954 . . 428 . 51 SER HA H 4.728 . . 429 . 51 SER CB C 66.957 . . 430 . 51 SER HB2 H 4.173 . . 431 . 51 SER HB3 H 3.593 . . 432 . 52 THR N N 116.328 . . 433 . 52 THR H H 9.169 . . 434 . 52 THR C C 171.858 . . 435 . 52 THR CA C 62.212 . . 436 . 52 THR HA H 5.043 . . 437 . 52 THR CB C 72.042 . . 438 . 52 THR HB H 3.862 . . 439 . 52 THR HG2 H 0.394 . . 440 . 53 ASP N N 124.258 . . 441 . 53 ASP H H 8.935 . . 442 . 53 ASP C C 175.527 . . 443 . 53 ASP CA C 52.586 . . 444 . 53 ASP HA H 5.254 . . 445 . 53 ASP CB C 42.549 . . 446 . 53 ASP HB2 H 2.721 . . 447 . 53 ASP HB3 H 2.046 . . 448 . 54 TYR N N 118.605 . . 449 . 54 TYR H H 9.236 . . 450 . 54 TYR C C 178.527 . . 451 . 54 TYR CA C 60.175 . . 452 . 54 TYR HA H 4.81 . . 453 . 54 TYR CB C 43.65 . . 454 . 54 TYR HB2 H 2.993 . . 455 . 54 TYR HB3 H 2.739 . . 456 . 55 GLY N N 112.82 . . 457 . 55 GLY H H 9.136 . . 458 . 55 GLY C C 177.261 . . 459 . 55 GLY CA C 47.196 . . 460 . 55 GLY HA2 H 4.589 . . 461 . 55 GLY HA3 H 4.474 . . 462 . 56 ILE N N 121.97 . . 463 . 56 ILE H H 9.304 . . 464 . 56 ILE C C 175.831 . . 465 . 56 ILE CA C 62.765 . . 466 . 56 ILE HA H 4.08 . . 467 . 56 ILE CB C 40.147 . . 468 . 56 ILE HB H 1.178 . . 469 . 56 ILE HG12 H 0.063 . . 470 . 56 ILE HG2 H 0.063 . . 471 . 57 PHE N N 115.701 . . 472 . 57 PHE H H 8.426 . . 473 . 57 PHE C C 173.242 . . 474 . 57 PHE CA C 56.611 . . 475 . 57 PHE HA H 4.64 . . 476 . 57 PHE CB C 40.227 . . 477 . 57 PHE HB2 H 2.679 . . 478 . 58 GLN N N 113.96 . . 479 . 58 GLN H H 7.909 . . 480 . 58 GLN C C 174.021 . . 481 . 58 GLN CA C 55.812 . . 482 . 58 GLN HA H 3.469 . . 483 . 58 GLN CB C 27.571 . . 484 . 58 GLN HB2 H 1.937 . . 485 . 58 GLN HB3 H 2.071 . . 486 . 58 GLN HG3 H 2.586 . . 487 . 59 ILE N N 122.89 . . 488 . 59 ILE H H 7.945 . . 489 . 59 ILE C C 177.354 . . 490 . 59 ILE CA C 62.047 . . 491 . 59 ILE HA H 4.383 . . 492 . 59 ILE CB C 39.987 . . 493 . 59 ILE HB H 1.933 . . 494 . 59 ILE HG12 H 1.086 . . 495 . 59 ILE HG2 H 1.086 . . 496 . 59 ILE HD1 H 1.086 . . 497 . 60 ASN N N 128.118 . . 498 . 60 ASN H H 8.669 . . 499 . 60 ASN C C 177.172 . . 500 . 60 ASN CA C 56.963 . . 501 . 60 ASN HA H 5.705 . . 502 . 60 ASN CB C 44.485 . . 503 . 60 ASN HB2 H 3.045 . . 504 . 60 ASN HB3 H 3.431 . . 505 . 61 SER N N 119.877 . . 506 . 61 SER H H 9.25 . . 507 . 61 SER C C 175.077 . . 508 . 61 SER CA C 61.332 . . 509 . 61 SER HA H 5.171 . . 510 . 61 SER CB C 65.259 . . 511 . 61 SER HB2 H 4.458 . . 512 . 62 ARG N N 123.696 . . 513 . 62 ARG H H 8.781 . . 514 . 62 ARG C C 177.334 . . 515 . 62 ARG CA C 59.349 . . 516 . 62 ARG HA H 4.175 . . 517 . 62 ARG CB C 30.66 . . 518 . 62 ARG HB2 H 1.779 . . 519 . 62 ARG HG2 H 1.423 . . 520 . 62 ARG HD3 H 1.059 . . 521 . 63 TYR N N 115.03 . . 522 . 63 TYR H H 7.44 . . 523 . 63 TYR C C 176.742 . . 524 . 63 TYR CA C 59.445 . . 525 . 63 TYR HA H 4.352 . . 526 . 63 TYR CB C 40.656 . . 527 . 63 TYR HB2 H 1.595 . . 528 . 64 TRP N N 114.765 . . 529 . 64 TRP H H 7.289 . . 530 . 64 TRP C C 174.59 . . 531 . 64 TRP CA C 59.471 . . 532 . 64 TRP HA H 5.031 . . 533 . 64 TRP CB C 34.52 . . 534 . 64 TRP HB2 H 3.356 . . 535 . 65 CYS N N 110.946 . . 536 . 65 CYS H H 7.447 . . 537 . 65 CYS C C 172.358 . . 538 . 65 CYS CA C 53.249 . . 539 . 65 CYS HA H 5.71 . . 540 . 65 CYS CB C 46.201 . . 541 . 65 CYS HB2 H 2.83 . . 542 . 65 CYS HB3 H 2.49 . . 543 . 66 ASN N N 119.136 . . 544 . 66 ASN H H 8.769 . . 545 . 66 ASN C C 176.837 . . 546 . 66 ASN CA C 51.862 . . 547 . 66 ASN HA H 5.698 . . 548 . 66 ASN CB C 41.164 . . 549 . 66 ASN HB2 H 2.889 . . 550 . 66 ASN HB3 H 2.489 . . 551 . 66 ASN HD21 H 7.737 . . 552 . 66 ASN HD22 H 7.17 . . 553 . 67 ASP N N 132.184 . . 554 . 67 ASP H H 10.601 . . 555 . 67 ASP C C 177.646 . . 556 . 67 ASP CA C 52.151 . . 557 . 67 ASP HA H 5 . . 558 . 67 ASP CB C 41.691 . . 559 . 67 ASP HB2 H 3.32 . . 560 . 67 ASP HB3 H 2.305 . . 561 . 68 GLY N N 108.645 . . 562 . 68 GLY H H 8.32 . . 563 . 68 GLY C C 174.351 . . 564 . 68 GLY CA C 47.039 . . 565 . 68 GLY HA2 H 4.114 . . 566 . 68 GLY HA3 H 3.874 . . 567 . 69 LYS N N 118.016 . . 568 . 69 LYS H H 8.251 . . 569 . 69 LYS C C 175.838 . . 570 . 69 LYS CA C 55.983 . . 571 . 69 LYS HA H 4.816 . . 572 . 69 LYS CB C 34.404 . . 573 . 69 LYS HB2 H 1.817 . . 574 . 69 LYS HB3 H 1.896 . . 575 . 69 LYS HG2 H 1.208 . . 576 . 69 LYS HG3 H 1.341 . . 577 . 69 LYS HD2 H 1.689 . . 578 . 69 LYS HE3 H 3.006 . . 579 . 70 THR N N 121.851 . . 580 . 70 THR H H 8.572 . . 581 . 70 THR CA C 60.777 . . 582 . 70 THR HA H 4.822 . . 583 . 70 THR CB C 70.975 . . 584 . 70 THR HB H 4.112 . . 585 . 70 THR HG2 H 1.061 . . 586 . 71 PRO C C 177.335 . . 587 . 71 PRO CA C 63.819 . . 588 . 71 PRO HA H 4.393 . . 589 . 71 PRO CB C 32.639 . . 590 . 71 PRO HB2 H 2.312 . . 591 . 71 PRO HG2 H 2.036 . . 592 . 71 PRO HD2 H 4.14 . . 593 . 71 PRO HD3 H 3.9 . . 594 . 72 GLY N N 110.367 . . 595 . 72 GLY H H 8.872 . . 596 . 72 GLY C C 174.652 . . 597 . 72 GLY CA C 46.767 . . 598 . 72 GLY HA2 H 3.806 . . 599 . 72 GLY HA3 H 3.694 . . 600 . 73 ALA N N 121.159 . . 601 . 73 ALA H H 7.217 . . 602 . 73 ALA C C 178.64 . . 603 . 73 ALA CA C 53.264 . . 604 . 73 ALA HA H 4.617 . . 605 . 73 ALA CB C 21.511 . . 606 . 73 ALA HB H 1.55 . . 607 . 74 VAL N N 120.088 . . 608 . 74 VAL H H 7.883 . . 609 . 74 VAL C C 176.065 . . 610 . 74 VAL CA C 63.18 . . 611 . 74 VAL HA H 3.919 . . 612 . 74 VAL CB C 34.558 . . 613 . 74 VAL HB H 1.922 . . 614 . 74 VAL HG1 H 0.929 . . 615 . 74 VAL HG2 H 0.714 . . 616 . 75 ASN N N 119.886 . . 617 . 75 ASN H H 8.817 . . 618 . 75 ASN C C 176.866 . . 619 . 75 ASN CA C 51.871 . . 620 . 75 ASN HA H 3.898 . . 621 . 75 ASN CB C 37.756 . . 622 . 75 ASN HB2 H 3.041 . . 623 . 75 ASN HD21 H 7.801 . . 624 . 75 ASN HD22 H 7.078 . . 625 . 76 ALA N N 120.776 . . 626 . 76 ALA H H 8.28 . . 627 . 76 ALA C C 180.136 . . 628 . 76 ALA CA C 55.77 . . 629 . 76 ALA HA H 4.031 . . 630 . 76 ALA CB C 19.985 . . 631 . 76 ALA HB H 1.474 . . 632 . 77 CYS N N 111.328 . . 633 . 77 CYS H H 9.442 . . 634 . 77 CYS C C 173.207 . . 635 . 77 CYS CA C 56.583 . . 636 . 77 CYS HA H 4.351 . . 637 . 77 CYS CB C 40.022 . . 638 . 77 CYS HB2 H 3.511 . . 639 . 78 HIS N N 118.173 . . 640 . 78 HIS H H 7.784 . . 641 . 78 HIS C C 173.456 . . 642 . 78 HIS CA C 56.573 . . 643 . 78 HIS HA H 3.981 . . 644 . 78 HIS CB C 26.36 . . 645 . 78 HIS HB2 H 3.448 . . 646 . 78 HIS HB3 H 3.275 . . 647 . 79 LEU N N 119.039 . . 648 . 79 LEU H H 8.913 . . 649 . 79 LEU C C 176.706 . . 650 . 79 LEU CA C 54.453 . . 651 . 79 LEU HA H 4.734 . . 652 . 79 LEU CB C 47.706 . . 653 . 79 LEU HB2 H 1.655 . . 654 . 79 LEU HB3 H 1.215 . . 655 . 79 LEU HG H 0.808 . . 656 . 79 LEU HD1 H 0.627 . . 657 . 79 LEU HD2 H 0.627 . . 658 . 80 SER N N 117.499 . . 659 . 80 SER H H 8.751 . . 660 . 80 SER C C 176.869 . . 661 . 80 SER CA C 58.157 . . 662 . 80 SER HA H 5.006 . . 663 . 80 SER CB C 63.99 . . 664 . 80 SER HB2 H 3.94 . . 665 . 81 CYS N N 126.425 . . 666 . 81 CYS H H 8.533 . . 667 . 81 CYS C C 176.676 . . 668 . 81 CYS CA C 57.916 . . 669 . 81 CYS HA H 3.935 . . 670 . 81 CYS CB C 38.065 . . 671 . 81 CYS HB2 H 1.865 . . 672 . 81 CYS HB3 H 1.091 . . 673 . 82 SER N N 115.023 . . 674 . 82 SER H H 8.507 . . 675 . 82 SER C C 177.562 . . 676 . 82 SER CA C 61.88 . . 677 . 82 SER HA H 3.892 . . 678 . 82 SER HB2 H 1.694 . . 679 . 83 ALA N N 126.503 . . 680 . 83 ALA H H 7.893 . . 681 . 83 ALA C C 179.293 . . 682 . 83 ALA CA C 55.074 . . 683 . 83 ALA HA H 4.385 . . 684 . 83 ALA CB C 18.871 . . 685 . 83 ALA HB H 1.688 . . 686 . 84 LEU N N 117.184 . . 687 . 84 LEU H H 7.972 . . 688 . 84 LEU C C 175.02 . . 689 . 84 LEU CA C 54.828 . . 690 . 84 LEU HA H 4.357 . . 691 . 84 LEU CB C 41.271 . . 692 . 84 LEU HB2 H 2.251 . . 693 . 84 LEU HG H 1.674 . . 694 . 84 LEU HD1 H 1.053 . . 695 . 84 LEU HD2 H 0.789 . . 696 . 85 LEU N N 117.846 . . 697 . 85 LEU H H 7.204 . . 698 . 85 LEU C C 177.822 . . 699 . 85 LEU CA C 53.931 . . 700 . 85 LEU HA H 5.726 . . 701 . 85 LEU CB C 43.428 . . 702 . 85 LEU HB2 H 1.805 . . 703 . 85 LEU HG H 1.124 . . 704 . 85 LEU HD1 H 1.038 . . 705 . 85 LEU HD2 H 1.038 . . 706 . 86 GLN N N 116.934 . . 707 . 86 GLN H H 6.776 . . 708 . 86 GLN C C 175.676 . . 709 . 86 GLN CA C 55.121 . . 710 . 86 GLN HA H 4.425 . . 711 . 86 GLN CB C 31.486 . . 712 . 86 GLN HB2 H 2.011 . . 713 . 86 GLN HB3 H 1.709 . . 714 . 86 GLN HG2 H 2.508 . . 715 . 86 GLN HG3 H 2.668 . . 716 . 86 GLN HE21 H 7.59 . . 717 . 86 GLN HE22 H 7.074 . . 718 . 87 ASP N N 120.771 . . 719 . 87 ASP H H 8.909 . . 720 . 87 ASP C C 176.133 . . 721 . 87 ASP CA C 57.624 . . 722 . 87 ASP HA H 4.17 . . 723 . 87 ASP CB C 40.65 . . 724 . 87 ASP HB2 H 2.501 . . 725 . 87 ASP HB3 H 2.643 . . 726 . 88 ASN N N 114.697 . . 727 . 88 ASN H H 7.588 . . 728 . 88 ASN C C 177.519 . . 729 . 88 ASN CA C 52.709 . . 730 . 88 ASN HA H 4.9 . . 731 . 88 ASN CB C 38.838 . . 732 . 88 ASN HB2 H 3.017 . . 733 . 88 ASN HB3 H 2.794 . . 734 . 88 ASN HD21 H 7.838 . . 735 . 88 ASN HD22 H 7.088 . . 736 . 89 ILE N N 119.669 . . 737 . 89 ILE H H 8.482 . . 738 . 89 ILE C C 175.301 . . 739 . 89 ILE CA C 62.032 . . 740 . 89 ILE HA H 4.589 . . 741 . 89 ILE CB C 39.308 . . 742 . 89 ILE HB H 2.126 . . 743 . 89 ILE HG12 H 1.007 . . 744 . 89 ILE HG2 H 1.017 . . 745 . 89 ILE HD1 H 0.251 . . 746 . 90 ALA N N 126.239 . . 747 . 90 ALA H H 8.35 . . 748 . 90 ALA C C 181.05 . . 749 . 90 ALA CA C 57.631 . . 750 . 90 ALA HA H 3.878 . . 751 . 90 ALA CB C 18.284 . . 752 . 90 ALA HB H 1.458 . . 753 . 91 ASP N N 118.968 . . 754 . 91 ASP H H 9.288 . . 755 . 91 ASP C C 176.988 . . 756 . 91 ASP CA C 57.495 . . 757 . 91 ASP HA H 4.5 . . 758 . 91 ASP CB C 38.725 . . 759 . 91 ASP HB2 H 2.705 . . 760 . 91 ASP HB3 H 2.478 . . 761 . 92 ALA N N 123.322 . . 762 . 92 ALA H H 7.68 . . 763 . 92 ALA C C 178.929 . . 764 . 92 ALA CA C 56.307 . . 765 . 92 ALA HA H 3.962 . . 766 . 92 ALA CB C 18.312 . . 767 . 92 ALA HB H 1.578 . . 768 . 93 VAL N N 118.466 . . 769 . 93 VAL H H 8.745 . . 770 . 93 VAL C C 176.537 . . 771 . 93 VAL CA C 67.541 . . 772 . 93 VAL HA H 3.254 . . 773 . 93 VAL CB C 31.715 . . 774 . 93 VAL HB H 2.171 . . 775 . 93 VAL HG1 H 0.825 . . 776 . 93 VAL HG2 H 0.825 . . 777 . 94 ALA N N 121.624 . . 778 . 94 ALA H H 8.103 . . 779 . 94 ALA C C 181.056 . . 780 . 94 ALA CA C 56.014 . . 781 . 94 ALA HA H 3.891 . . 782 . 94 ALA CB C 18.438 . . 783 . 94 ALA HB H 1.547 . . 784 . 95 CYS N N 116.494 . . 785 . 95 CYS H H 8.429 . . 786 . 95 CYS C C 174.919 . . 787 . 95 CYS CA C 55.845 . . 788 . 95 CYS HA H 4.977 . . 789 . 95 CYS CB C 35.484 . . 790 . 95 CYS HB2 H 3.369 . . 791 . 95 CYS HB3 H 2.686 . . 792 . 96 ALA N N 124.438 . . 793 . 96 ALA H H 8.888 . . 794 . 96 ALA C C 179.333 . . 795 . 96 ALA CA C 56.666 . . 796 . 96 ALA HA H 3.773 . . 797 . 96 ALA CB C 18.173 . . 798 . 96 ALA HB H 0.851 . . 799 . 97 LYS N N 114.658 . . 800 . 97 LYS H H 8.034 . . 801 . 97 LYS C C 177.542 . . 802 . 97 LYS CA C 60.535 . . 803 . 97 LYS HA H 3.633 . . 804 . 97 LYS CB C 33.642 . . 805 . 97 LYS HB2 H 1.729 . . 806 . 97 LYS HG2 H 1.033 . . 807 . 97 LYS HG3 H 1.223 . . 808 . 97 LYS HD2 H 0.82 . . 809 . 97 LYS HE2 H -0.493 . . 810 . 97 LYS HE3 H -0.046 . . 811 . 98 ARG N N 118.379 . . 812 . 98 ARG H H 7.13 . . 813 . 98 ARG C C 179.847 . . 814 . 98 ARG CA C 58.836 . . 815 . 98 ARG HA H 4.007 . . 816 . 98 ARG CB C 28.933 . . 817 . 98 ARG HB2 H 1.94 . . 818 . 98 ARG HG2 H 1.63 . . 819 . 98 ARG HD3 H 2.683 . . 820 . 99 VAL N N 123.432 . . 821 . 99 VAL H H 8.418 . . 822 . 99 VAL C C 180.284 . . 823 . 99 VAL CA C 66.355 . . 824 . 99 VAL HA H 2.481 . . 825 . 99 VAL CB C 31.145 . . 826 . 99 VAL HB H 1.908 . . 827 . 99 VAL HG1 H -0.367 . . 828 . 99 VAL HG2 H -0.628 . . 829 . 100 VAL N N 108.334 . . 830 . 100 VAL H H 7.538 . . 831 . 100 VAL C C 174.836 . . 832 . 100 VAL CA C 63.914 . . 833 . 100 VAL HA H 3.935 . . 834 . 100 VAL CB C 31.855 . . 835 . 100 VAL HB H 2.438 . . 836 . 100 VAL HG1 H 1.065 . . 837 . 100 VAL HG2 H 1.417 . . 838 . 101 ARG N N 119.401 . . 839 . 101 ARG H H 7.613 . . 840 . 101 ARG C C 177.645 . . 841 . 101 ARG CA C 59.313 . . 842 . 101 ARG HA H 4.177 . . 843 . 101 ARG CB C 31.814 . . 844 . 101 ARG HB2 H 2.188 . . 845 . 101 ARG HB3 H 1.951 . . 846 . 101 ARG HG2 H 1.333 . . 847 . 101 ARG HG3 H 2.658 . . 848 . 101 ARG HD2 H 3.542 . . 849 . 101 ARG HD3 H 3.313 . . 850 . 102 ASP N N 121.644 . . 851 . 102 ASP H H 7.422 . . 852 . 102 ASP CA C 54.418 . . 853 . 102 ASP HA H 4.943 . . 854 . 102 ASP CB C 39.422 . . 855 . 102 ASP HB2 H 3.06 . . 856 . 103 PRO C C 178.375 . . 857 . 103 PRO CA C 66.821 . . 858 . 103 PRO HA H 4.201 . . 859 . 103 PRO CB C 33.041 . . 860 . 103 PRO HB2 H 2.309 . . 861 . 103 PRO HG2 H 2.159 . . 862 . 103 PRO HG3 H 2.041 . . 863 . 103 PRO HD3 H 3.762 . . 864 . 104 GLN N N 113.775 . . 865 . 104 GLN H H 8.631 . . 866 . 104 GLN C C 177.227 . . 867 . 104 GLN CA C 58.09 . . 868 . 104 GLN HA H 4.103 . . 869 . 104 GLN CB C 29.588 . . 870 . 104 GLN HB2 H 1.983 . . 871 . 104 GLN HB3 H 1.808 . . 872 . 104 GLN HG3 H 2.313 . . 873 . 104 GLN HE21 H 7.556 . . 874 . 104 GLN HE22 H 6.87 . . 875 . 105 GLY N N 108.923 . . 876 . 105 GLY H H 8.094 . . 877 . 105 GLY C C 176.011 . . 878 . 105 GLY CA C 46.527 . . 879 . 105 GLY HA2 H 3.876 . . 880 . 106 ILE N N 127.292 . . 881 . 106 ILE H H 8.73 . . 882 . 106 ILE C C 174.088 . . 883 . 106 ILE CA C 63.319 . . 884 . 106 ILE HA H 3.973 . . 885 . 106 ILE CB C 39.356 . . 886 . 106 ILE HB H 0.899 . . 887 . 106 ILE HG12 H -0.471 . . 888 . 106 ILE HG2 H -0.481 . . 889 . 106 ILE HD1 H -0.714 . . 890 . 107 ARG N N 117.004 . . 891 . 107 ARG H H 7.346 . . 892 . 107 ARG C C 175.56 . . 893 . 107 ARG CA C 58.323 . . 894 . 107 ARG HA H 4.094 . . 895 . 107 ARG CB C 29.83 . . 896 . 107 ARG HB2 H 2.138 . . 897 . 107 ARG HG2 H 1.832 . . 898 . 107 ARG HD3 H 3.364 . . 899 . 108 ALA N N 120.108 . . 900 . 108 ALA H H 7.192 . . 901 . 108 ALA C C 178.29 . . 902 . 108 ALA CA C 54.758 . . 903 . 108 ALA HA H 3.823 . . 904 . 108 ALA CB C 19.587 . . 905 . 108 ALA HB H 0.896 . . 906 . 109 TRP N N 115.929 . . 907 . 109 TRP H H 7.51 . . 908 . 109 TRP C C 176.956 . . 909 . 109 TRP CA C 59.873 . . 910 . 109 TRP HA H 4.832 . . 911 . 109 TRP CB C 30.327 . . 912 . 109 TRP HB2 H 3.241 . . 913 . 110 VAL N N 129.133 . . 914 . 110 VAL H H 9.022 . . 915 . 110 VAL C C 177.56 . . 916 . 110 VAL CA C 66.962 . . 917 . 110 VAL HA H 3.616 . . 918 . 110 VAL CB C 32.424 . . 919 . 110 VAL HB H 2.176 . . 920 . 110 VAL HG1 H 1.124 . . 921 . 110 VAL HG2 H 1.042 . . 922 . 111 ALA N N 119.852 . . 923 . 111 ALA H H 8.943 . . 924 . 111 ALA C C 180.363 . . 925 . 111 ALA CA C 55.786 . . 926 . 111 ALA HA H 4.237 . . 927 . 111 ALA CB C 18.614 . . 928 . 111 ALA HB H 1.427 . . 929 . 112 TRP N N 114.809 . . 930 . 112 TRP H H 7.387 . . 931 . 112 TRP C C 179.313 . . 932 . 112 TRP CA C 63.285 . . 933 . 112 TRP HA H 3.683 . . 934 . 112 TRP CB C 29.221 . . 935 . 112 TRP HB2 H 3.818 . . 936 . 112 TRP HB3 H 3.11 . . 937 . 113 ARG N N 119.712 . . 938 . 113 ARG H H 7.783 . . 939 . 113 ARG C C 177.903 . . 940 . 113 ARG CA C 60.197 . . 941 . 113 ARG HA H 3.806 . . 942 . 113 ARG CB C 30.81 . . 943 . 113 ARG HB2 H 2.211 . . 944 . 113 ARG HG2 H 1.652 . . 945 . 113 ARG HG3 H 1.904 . . 946 . 113 ARG HD2 H 3.623 . . 947 . 113 ARG HD3 H 3.301 . . 948 . 114 ASN N N 113.557 . . 949 . 114 ASN H H 7.981 . . 950 . 114 ASN C C 176.945 . . 951 . 114 ASN CA C 55.289 . . 952 . 114 ASN HA H 4.457 . . 953 . 114 ASN CB C 39.606 . . 954 . 114 ASN HB2 H 2.63 . . 955 . 114 ASN HD21 H 7.558 . . 956 . 114 ASN HD22 H 7.057 . . 957 . 115 ARG N N 113.988 . . 958 . 115 ARG H H 7.875 . . 959 . 115 ARG C C 176.093 . . 960 . 115 ARG CA C 55.34 . . 961 . 115 ARG HA H 3.972 . . 962 . 115 ARG CB C 31.957 . . 963 . 115 ARG HB2 H 1.312 . . 964 . 115 ARG HG2 H 1.057 . . 965 . 115 ARG HD3 H 2.631 . . 966 . 116 CYS N N 115.03 . . 967 . 116 CYS H H 7.349 . . 968 . 116 CYS C C 173.632 . . 969 . 116 CYS CA C 55.593 . . 970 . 116 CYS HA H 4.316 . . 971 . 116 CYS CB C 44.738 . . 972 . 116 CYS HB2 H 2.49 . . 973 . 116 CYS HB3 H 1.615 . . 974 . 117 GLN N N 121.454 . . 975 . 117 GLN H H 6.71 . . 976 . 117 GLN CA C 57.748 . . 977 . 117 GLN HA H 3.111 . . 978 . 117 GLN CB C 28.986 . . 979 . 117 GLN HB2 H 1.654 . . 980 . 117 GLN HG3 H 0.586 . . 981 . 118 ASN N N 120.063 . . 982 . 118 ASN H H 9.359 . . 983 . 118 ASN C C 173.541 . . 984 . 118 ASN CA C 55.228 . . 985 . 118 ASN HA H 4.39 . . 986 . 118 ASN CB C 37.63 . . 987 . 118 ASN HB2 H 3.114 . . 988 . 119 ARG N N 116.707 . . 989 . 119 ARG H H 7.477 . . 990 . 119 ARG C C 174.967 . . 991 . 119 ARG CA C 54.549 . . 992 . 119 ARG HA H 4.571 . . 993 . 119 ARG CB C 33.096 . . 994 . 119 ARG HB2 H 1.744 . . 995 . 119 ARG HG2 H 1.315 . . 996 . 119 ARG HD2 H 2.921 . . 997 . 119 ARG HD3 H 2.626 . . 998 . 120 ASP N N 119.362 . . 999 . 120 ASP H H 8.596 . . 1000 . 120 ASP C C 177.823 . . 1001 . 120 ASP CA C 54.597 . . 1002 . 120 ASP HA H 4.697 . . 1003 . 120 ASP CB C 40.297 . . 1004 . 120 ASP HB2 H 2.921 . . 1005 . 120 ASP HB3 H 2.728 . . 1006 . 121 VAL N N 119.905 . . 1007 . 121 VAL H H 8.835 . . 1008 . 121 VAL C C 176.843 . . 1009 . 121 VAL CA C 61.611 . . 1010 . 121 VAL HA H 4.874 . . 1011 . 121 VAL CB C 32.802 . . 1012 . 121 VAL HB H 2.735 . . 1013 . 121 VAL HG1 H 1.168 . . 1014 . 121 VAL HG2 H 0.869 . . 1015 . 122 ARG N N 123.315 . . 1016 . 122 ARG H H 8.353 . . 1017 . 122 ARG C C 179.477 . . 1018 . 122 ARG CA C 60.257 . . 1019 . 122 ARG HA H 3.959 . . 1020 . 122 ARG CB C 30.572 . . 1021 . 122 ARG HB2 H 2.01 . . 1022 . 122 ARG HG2 H 1.881 . . 1023 . 122 ARG HD3 H 3.287 . . 1024 . 123 GLN N N 116.383 . . 1025 . 123 GLN H H 9.077 . . 1026 . 123 GLN C C 177.406 . . 1027 . 123 GLN CA C 58.368 . . 1028 . 123 GLN HA H 4.093 . . 1029 . 123 GLN CB C 28.171 . . 1030 . 123 GLN HB2 H 1.26 . . 1031 . 123 GLN HG2 H 1.884 . . 1032 . 123 GLN HG3 H 1.735 . . 1033 . 124 TYR N N 117.178 . . 1034 . 124 TYR H H 7.591 . . 1035 . 124 TYR C C 176.31 . . 1036 . 124 TYR CA C 62.849 . . 1037 . 124 TYR HA H 4.164 . . 1038 . 124 TYR CB C 39.501 . . 1039 . 124 TYR HB2 H 3.263 . . 1040 . 124 TYR HB3 H 2.961 . . 1041 . 125 VAL N N 103.988 . . 1042 . 125 VAL H H 7.234 . . 1043 . 125 VAL C C 176.033 . . 1044 . 125 VAL CA C 60.621 . . 1045 . 125 VAL HA H 4.523 . . 1046 . 125 VAL CB C 33.687 . . 1047 . 125 VAL HB H 2.351 . . 1048 . 125 VAL HG1 H 0.958 . . 1049 . 125 VAL HG2 H 0.796 . . 1050 . 126 GLN N N 124.908 . . 1051 . 126 GLN H H 7.374 . . 1052 . 126 GLN C C 176.842 . . 1053 . 126 GLN CA C 58.069 . . 1054 . 126 GLN HA H 4.232 . . 1055 . 126 GLN CB C 28.965 . . 1056 . 126 GLN HB2 H 2.103 . . 1057 . 126 GLN HB3 H 1.981 . . 1058 . 126 GLN HG3 H 2.396 . . 1059 . 127 GLY N N 113.607 . . 1060 . 127 GLY H H 9.351 . . 1061 . 127 GLY C C 175.968 . . 1062 . 127 GLY CA C 46.414 . . 1063 . 127 GLY HA2 H 4.231 . . 1064 . 127 GLY HA3 H 3.87 . . 1065 . 128 CYS N N 114.42 . . 1066 . 128 CYS H H 7.662 . . 1067 . 128 CYS C C 175.68 . . 1068 . 128 CYS CA C 52.555 . . 1069 . 128 CYS HA H 4.923 . . 1070 . 128 CYS CB C 35.645 . . 1071 . 128 CYS HB2 H 3.218 . . 1072 . 128 CYS HB3 H 2.688 . . 1073 . 129 GLY N N 112.269 . . 1074 . 129 GLY H H 9.009 . . 1075 . 129 GLY C C 174.679 . . 1076 . 129 GLY CA C 47.556 . . 1077 . 129 GLY HA2 H 3.911 . . 1078 . 130 VAL N N 116.648 . . 1079 . 130 VAL H H 7.631 . . 1080 . 130 VAL CA C 61.853 . . 1081 . 130 VAL HA H 4.304 . . 1082 . 130 VAL CB C 34.205 . . 1083 . 130 VAL HB H 2.215 . . 1084 . 130 VAL HG1 H 0.754 . . 1085 . 130 VAL HG2 H 0.754 . . stop_ save_