data_4063 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignments for Oncostatin M, a 24-kDa Alpha-Helical Protein ; _BMRB_accession_number 4063 _BMRB_flat_file_name bmr4063.str _Entry_type original _Submission_date 1996-09-04 _Accession_date 1997-12-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hoffman Ross C. . 2 Moy Franklin J. . 3 Price Virginia . . 4 Richardson Jane . . 5 Kaubisch Dennis . . 6 Frieden Eric A. . 7 Krakover Jonathan D. . 8 Castner Beverly J. . 9 King Julie . . 10 March Carl J. . 11 Powers Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 379 "13C chemical shifts" 616 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-02-25 reformat BMRB 'converted to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Hoffman, R. C., Moy, F. J., Price, V., Richardson, J., Kaubisch, D., Frieden, E. A., Krakover, J. D., Castner, B. J., King, J., March, C. J., and Powers, R., "Resonance Assignments for Oncostatin M, a 24-kDa Alpha-Helical Protein," J. Biomol. NMR 7, 273-282 (1996). ; _Citation_title 'Resonance Assignments for Oncostatin M, a 24-kDa Alpha-Helical Protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96329605 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hoffman Ross C. . 2 Moy Franklin J. . 3 Price Virginia . . 4 Richardson Jane . . 5 Kaubisch Dennis . . 6 Frieden Eric A. . 7 Krakover Jonathan D. . 8 Castner Beverly J. . 9 King Julie . . 10 March Carl J. . 11 Powers Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 273 _Page_last 282 _Year 1996 _Details . loop_ _Keyword 'Multidimensional NMR' 'Oncostatin M' 'Resonance assignments' 'Triple-resonance spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_system_OM _Saveframe_category molecular_system _Mol_system_name 'Oncostatin M' _Abbreviation_common OM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Oncostatin M' $Oncostatin_M stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Oncostatin_M _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Oncostatin M' _Abbreviation_common OM _Molecular_mass 24000 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 203 _Mol_residue_sequence ; DYKDDDDKAAIGSCSKEYRV LLGQLQKQTDLMQDTSRLLD PYIRIQGLDVPKLREHCRER PGAFPSEETLRGLGRRGFLQ TLAATLGAVLHRLADLEQRL PKAQDLERSGLNIEDLEKLQ MARPNILGLRNNIYCMAQLL DNSDTAEPTKAGRGASQPPT PTPASDAFQRKLEGCRFLHG YHRFMHSVGRVFSKWGESPA RSR ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 TYR 3 LYS 4 ASP 5 ASP 6 ASP 7 ASP 8 LYS 9 ALA 10 ALA 11 ILE 12 GLY 13 SER 14 CYS 15 SER 16 LYS 17 GLU 18 TYR 19 ARG 20 VAL 21 LEU 22 LEU 23 GLY 24 GLN 25 LEU 26 GLN 27 LYS 28 GLN 29 THR 30 ASP 31 LEU 32 MET 33 GLN 34 ASP 35 THR 36 SER 37 ARG 38 LEU 39 LEU 40 ASP 41 PRO 42 TYR 43 ILE 44 ARG 45 ILE 46 GLN 47 GLY 48 LEU 49 ASP 50 VAL 51 PRO 52 LYS 53 LEU 54 ARG 55 GLU 56 HIS 57 CYS 58 ARG 59 GLU 60 ARG 61 PRO 62 GLY 63 ALA 64 PHE 65 PRO 66 SER 67 GLU 68 GLU 69 THR 70 LEU 71 ARG 72 GLY 73 LEU 74 GLY 75 ARG 76 ARG 77 GLY 78 PHE 79 LEU 80 GLN 81 THR 82 LEU 83 ALA 84 ALA 85 THR 86 LEU 87 GLY 88 ALA 89 VAL 90 LEU 91 HIS 92 ARG 93 LEU 94 ALA 95 ASP 96 LEU 97 GLU 98 GLN 99 ARG 100 LEU 101 PRO 102 LYS 103 ALA 104 GLN 105 ASP 106 LEU 107 GLU 108 ARG 109 SER 110 GLY 111 LEU 112 ASN 113 ILE 114 GLU 115 ASP 116 LEU 117 GLU 118 LYS 119 LEU 120 GLN 121 MET 122 ALA 123 ARG 124 PRO 125 ASN 126 ILE 127 LEU 128 GLY 129 LEU 130 ARG 131 ASN 132 ASN 133 ILE 134 TYR 135 CYS 136 MET 137 ALA 138 GLN 139 LEU 140 LEU 141 ASP 142 ASN 143 SER 144 ASP 145 THR 146 ALA 147 GLU 148 PRO 149 THR 150 LYS 151 ALA 152 GLY 153 ARG 154 GLY 155 ALA 156 SER 157 GLN 158 PRO 159 PRO 160 THR 161 PRO 162 THR 163 PRO 164 ALA 165 SER 166 ASP 167 ALA 168 PHE 169 GLN 170 ARG 171 LYS 172 LEU 173 GLU 174 GLY 175 CYS 176 ARG 177 PHE 178 LEU 179 HIS 180 GLY 181 TYR 182 HIS 183 ARG 184 PHE 185 MET 186 HIS 187 SER 188 VAL 189 GLY 190 ARG 191 VAL 192 PHE 193 SER 194 LYS 195 TRP 196 GLY 197 GLU 198 SER 199 PRO 200 ALA 201 ARG 202 SER 203 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1EVS "Crystal Structure Of Human Oncostatin M" 92.12 187 98.93 98.93 9.50e-132 DBJ BAG70307 "oncostatin M precursor [Homo sapiens]" 96.06 209 98.46 98.46 1.47e-136 DBJ BAG72668 "oncostatin M [synthetic construct]" 96.06 252 98.46 98.46 1.62e-136 EMBL CAG30420 "OSM [Homo sapiens]" 96.06 252 98.46 98.46 1.62e-136 EMBL CAG46504 "OSM [Homo sapiens]" 96.06 252 98.46 98.46 1.62e-136 EMBL CAK54565 "OSM [synthetic construct]" 96.06 252 98.46 98.46 1.62e-136 EMBL CAK54864 "OSM [synthetic construct]" 96.06 252 98.46 98.46 1.62e-136 GB AAA36388 "oncostatin M, partial [Homo sapiens]" 96.06 252 98.46 98.46 1.62e-136 GB AAC05173 "oncostatin M precursor [Homo sapiens]" 96.06 252 98.46 98.46 1.62e-136 GB AAH11589 "Oncostatin M [Homo sapiens]" 96.06 252 98.46 98.46 1.62e-136 GB AAX29842 "oncostatin M [synthetic construct]" 96.06 253 98.46 98.46 1.49e-136 GB AAX37118 "oncostatin M [synthetic construct]" 96.06 253 98.46 98.46 1.70e-136 REF NP_065391 "oncostatin-M preproprotein [Homo sapiens]" 96.06 252 98.46 98.46 1.62e-136 REF XP_001136178 "PREDICTED: oncostatin-M [Pan troglodytes]" 96.06 252 97.95 98.46 5.89e-136 REF XP_003812063 "PREDICTED: oncostatin-M [Pan paniscus]" 96.06 252 97.95 98.46 5.89e-136 REF XP_004063314 "PREDICTED: oncostatin-M [Gorilla gorilla gorilla]" 96.06 252 96.92 96.92 1.36e-133 REF XP_011528504 "PREDICTED: oncostatin-M isoform X1 [Homo sapiens]" 96.06 231 98.46 98.46 1.37e-136 SP P13725 "RecName: Full=Oncostatin-M; Short=OSM; Flags: Precursor" 96.06 252 98.46 98.46 1.62e-136 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Oncostatin_M 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_type _Vector_name _Details $Oncostatin_M 'recombinant technology' yeast Saccharomyces cerevisiae XV2181 alpha-vector pIXY755 native 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 $Oncostatin_M 1.3 mM [U-13C;U-15N} KH2PO4 50 mM . NaN3 2 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX600 _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.2 . n/a temperature 308 . 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 TSP C 13 . ppm 0.00 external . . . . H2O H 1 . ppm 4.75 . . . . . 'anhydrous ammonia' N 15 . ppm 0.00 external . . . . 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_chemical_shift_assignment_Oncostatin_M _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Oncostatin M' _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 ASP C C 172.5 . 1 2 . 1 ASP CA C 53.2 . 1 3 . 1 ASP HA H 4.31 . 1 4 . 2 TYR N N 118.5 . 1 5 . 2 TYR H H 8.7 . 1 6 . 2 TYR C C 175.4 . 1 7 . 2 TYR CA C 58.3 . 1 8 . 2 TYR HA H 4.65 . 1 9 . 2 TYR CB C 38.5 . 1 10 . 3 LYS N N 120.8 . 1 11 . 3 LYS H H 8.17 . 1 12 . 3 LYS C C 176.00 . 1 13 . 3 LYS CA C 56.1 . 1 14 . 3 LYS HA H 4.43 . 1 15 . 3 LYS CB C 33.00 . 1 16 . 4 ASP N N 118.3 . 1 17 . 4 ASP H H 8.26 . 1 18 . 4 ASP C C 175.9 . 1 19 . 4 ASP CA C 54.1 . 1 20 . 4 ASP HA H 4.74 . 1 21 . 4 ASP CB C 40.2 . 1 22 . 5 ASP N N 117.1 . 1 23 . 5 ASP H H 8.4 . 1 24 . 5 ASP CA C 53.5 . 1 25 . 5 ASP HA H 4.64 . 1 26 . 6 ASP C C 176.2 . 1 27 . 6 ASP CA C 54.1 . 1 28 . 6 ASP HA H 4.71 . 1 29 . 7 ASP N N 117.9 . 1 30 . 7 ASP H H 8.51 . 1 31 . 7 ASP C C 176.5 . 1 32 . 7 ASP CA C 54.2 . 1 33 . 7 ASP HA H 4.65 . 1 34 . 7 ASP CB C 40.00 . 1 35 . 8 LYS N N 118.3 . 1 36 . 8 LYS H H 8.1 . 1 37 . 8 LYS C C 176.7 . 1 38 . 8 LYS CA C 56.5 . 1 39 . 8 LYS HA H 4.31 . 1 40 . 8 LYS CB C 32.5 . 1 41 . 8 LYS CG C 24.5 . 1 42 . 8 LYS CD C 28.7 . 1 43 . 8 LYS CE C 42.2 . 1 44 . 9 ALA N N 121.1 . 1 45 . 9 ALA H H 8.08 . 1 46 . 9 ALA C C 177.6 . 1 47 . 9 ALA CA C 52.5 . 1 48 . 9 ALA HA H 4.34 . 1 49 . 9 ALA CB C 19.1 . 1 50 . 10 ALA N N 120.4 . 1 51 . 10 ALA H H 8.1 . 1 52 . 10 ALA C C 178.00 . 1 53 . 10 ALA CA C 52.3 . 1 54 . 10 ALA HA H 4.4 . 1 55 . 10 ALA CB C 18.9 . 1 56 . 11 ILE N N 117.1 . 1 57 . 11 ILE H H 7.98 . 1 58 . 11 ILE C C 177.00 . 1 59 . 11 ILE CA C 61.5 . 1 60 . 11 ILE HA H 4.25 . 1 61 . 11 ILE CB C 38.4 . 1 62 . 11 ILE CG1 C 27.3 . 1 63 . 11 ILE CG2 C 17.4 . 1 64 . 11 ILE CD1 C 13.00 . 1 65 . 12 GLY N N 109.6 . 1 66 . 12 GLY H H 8.4 . 1 67 . 12 GLY C C 174.2 . 1 68 . 12 GLY CA C 45.2 . 1 69 . 12 GLY HA2 H 4.1 . 1 70 . 12 GLY HA3 H 4.1 . 1 71 . 13 SER N N 112.7 . 1 72 . 13 SER H H 8.16 . 1 73 . 13 SER C C 174.7 . 1 74 . 13 SER CA C 57.9 . 1 75 . 13 SER HA H 4.63 . 1 76 . 13 SER CB C 63.8 . 1 77 . 14 CYS N N 118.5 . 1 78 . 14 CYS H H 8.44 . 1 79 . 14 CYS C C 175.4 . 1 80 . 14 CYS CA C 54.00 . 1 81 . 14 CYS HA H 4.96 . 1 82 . 14 CYS CB C 38.5 . 1 83 . 15 SER N N 115.1 . 1 84 . 15 SER H H 8.54 . 1 85 . 15 SER C C 174.6 . 1 86 . 15 SER CA C 58.6 . 1 87 . 15 SER HA H 4.51 . 1 88 . 15 SER CB C 63.4 . 1 89 . 16 LYS N N 120.8 . 1 90 . 16 LYS H H 8.47 . 1 91 . 16 LYS C C 175.7 . 1 92 . 16 LYS CA C 55.3 . 1 93 . 16 LYS HA H 4.63 . 1 94 . 16 LYS CB C 32.6 . 1 95 . 16 LYS CG C 24.5 . 1 96 . 16 LYS CD C 28.9 . 1 97 . 16 LYS CE C 42.1 . 1 98 . 17 GLU N N 117.9 . 1 99 . 17 GLU H H 8.24 . 1 100 . 17 GLU C C 175.7 . 1 101 . 17 GLU CA C 55.00 . 1 102 . 17 GLU HA H 4.69 . 1 103 . 17 GLU CB C 30.2 . 1 104 . 17 GLU CG C 35.8 . 1 105 . 18 TYR N N 125.4 . 1 106 . 18 TYR H H 9.12 . 1 107 . 18 TYR C C 176.1 . 1 108 . 18 TYR CA C 62.7 . 1 109 . 18 TYR HA H 3.95 . 1 110 . 18 TYR CB C 38.7 . 1 111 . 19 ARG N N 113.7 . 1 112 . 19 ARG H H 9.34 . 1 113 . 19 ARG C C 179.6 . 1 114 . 19 ARG CA C 59.4 . 1 115 . 19 ARG HA H 3.87 . 1 116 . 19 ARG CB C 29.7 . 1 117 . 19 ARG CG C 27.8 . 1 118 . 19 ARG CD C 43.1 . 1 119 . 20 VAL N N 118.3 . 1 120 . 20 VAL H H 7.06 . 1 121 . 20 VAL C C 178.6 . 1 122 . 20 VAL CA C 65.2 . 1 123 . 20 VAL HA H 3.78 . 1 124 . 20 VAL CB C 31.7 . 1 125 . 21 LEU N N 119.7 . 1 126 . 21 LEU H H 8.06 . 1 127 . 21 LEU C C 178.4 . 1 128 . 21 LEU CA C 57.4 . 1 129 . 21 LEU HA H 4.1 . 1 130 . 21 LEU CB C 42.4 . 1 131 . 21 LEU CG C 24.8 . 1 132 . 21 LEU CD1 C 24.3 . 1 133 . 21 LEU CD2 C 24.3 . 1 134 . 22 LEU N N 116.6 . 1 135 . 22 LEU H H 8.69 . 1 136 . 22 LEU C C 178.3 . 1 137 . 22 LEU CA C 57.6 . 1 138 . 22 LEU HA H 3.62 . 1 139 . 22 LEU CB C 41.1 . 1 140 . 22 LEU CG C 26.00 . 1 141 . 23 GLY N N 102.4 . 1 142 . 23 GLY H H 7.65 . 1 143 . 23 GLY C C 176.9 . 1 144 . 23 GLY CA C 46.9 . 1 145 . 23 GLY HA2 H 3.93 . 1 146 . 23 GLY HA3 H 3.93 . 1 147 . 24 GLN N N 119.1 . 1 148 . 24 GLN H H 7.93 . 1 149 . 24 GLN C C 178.7 . 1 150 . 24 GLN CA C 58.9 . 1 151 . 24 GLN HA H 4.13 . 1 152 . 24 GLN CB C 27.9 . 1 153 . 24 GLN CG C 33.9 . 1 154 . 25 LEU N N 118.6 . 1 155 . 25 LEU H H 8.32 . 1 156 . 25 LEU C C 174.7 . 1 157 . 25 LEU CA C 57.7 . 1 158 . 25 LEU HA H 4.49 . 1 159 . 25 LEU CB C 38.6 . 1 160 . 26 GLN N N 121.4 . 1 161 . 26 GLN H H 8.37 . 1 162 . 26 GLN C C 175.4 . 1 163 . 26 GLN CA C 55.8 . 1 164 . 26 GLN HA H 4.46 . 1 165 . 26 GLN CB C 30.8 . 1 166 . 27 LYS N N 119.8 . 1 167 . 27 LYS H H 7.99 . 1 168 . 27 LYS C C 179.5 . 1 169 . 27 LYS CA C 59.6 . 1 170 . 27 LYS HA H 4.13 . 1 171 . 27 LYS CB C 27.8 . 1 172 . 27 LYS CG C 22.7 . 1 173 . 27 LYS CD C 26.8 . 1 174 . 27 LYS CE C 43.2 . 1 175 . 28 GLN N N 120.4 . 1 176 . 28 GLN H H 8.77 . 1 177 . 28 GLN C C 177.7 . 1 178 . 28 GLN CA C 60.4 . 1 179 . 28 GLN HA H 3.73 . 1 180 . 28 GLN CB C 29.7 . 1 181 . 29 THR N N 115.3 . 1 182 . 29 THR H H 8.58 . 1 183 . 29 THR C C 172.9 . 1 184 . 29 THR CA C 56.4 . 1 185 . 29 THR HA H 4.7 . 1 186 . 29 THR CB C 69.3 . 1 187 . 30 ASP N N 125.3 . 1 188 . 30 ASP H H 8.02 . 1 189 . 30 ASP C C 177.6 . 1 190 . 30 ASP CA C 57.3 . 1 191 . 30 ASP HA H 4.34 . 1 192 . 31 LEU C C 179.5 . 1 193 . 31 LEU CA C 58.00 . 1 194 . 31 LEU HA H 4.34 . 1 195 . 31 LEU CG C 27.00 . 1 196 . 32 MET N N 110.9 . 1 197 . 32 MET H H 7.79 . 1 198 . 32 MET C C 177.1 . 1 199 . 32 MET CA C 56.3 . 1 200 . 32 MET HA H 4.58 . 1 201 . 32 MET CB C 33.2 . 1 202 . 33 GLN N N 114.5 . 1 203 . 33 GLN H H 7.79 . 1 204 . 33 GLN C C 175.9 . 1 205 . 33 GLN CA C 56.3 . 1 206 . 33 GLN HA H 4.35 . 1 207 . 33 GLN CB C 29.9 . 1 208 . 33 GLN CG C 35.2 . 1 209 . 34 ASP N N 123.6 . 1 210 . 34 ASP H H 9.11 . 1 211 . 34 ASP C C 177.2 . 1 212 . 34 ASP CA C 53.5 . 1 213 . 35 THR N N 117.2 . 1 214 . 35 THR H H 8.3 . 1 215 . 35 THR C C 176.5 . 1 216 . 35 THR CA C 63.8 . 1 217 . 35 THR HA H 4.31 . 1 218 . 35 THR CB C 67.7 . 1 219 . 35 THR CG2 C 19.9 . 1 220 . 36 SER N N 116.2 . 1 221 . 36 SER H H 8.73 . 1 222 . 36 SER C C 175.6 . 1 223 . 36 SER CA C 60.7 . 1 224 . 36 SER HA H 4.47 . 1 225 . 36 SER CB C 63.1 . 1 226 . 37 ARG N N 115.3 . 1 227 . 37 ARG H H 7.9 . 1 228 . 37 ARG C C 176.6 . 1 229 . 37 ARG CA C 56.7 . 1 230 . 37 ARG HA H 4.34 . 1 231 . 37 ARG CB C 31.1 . 1 232 . 38 LEU N N 112.8 . 1 233 . 38 LEU H H 7.13 . 1 234 . 38 LEU C C 175.1 . 1 235 . 38 LEU CA C 58.2 . 1 236 . 38 LEU HA H 4.69 . 1 237 . 38 LEU CB C 38.5 . 1 238 . 39 LEU N N 121.3 . 1 239 . 39 LEU H H 8.16 . 1 240 . 39 LEU C C 174.9 . 1 241 . 39 LEU CA C 56.00 . 1 242 . 39 LEU HA H 4.41 . 1 243 . 40 ASP N N 123.3 . 1 244 . 40 ASP H H 7.97 . 1 245 . 40 ASP CA C 54.5 . 1 246 . 40 ASP HA H 4.56 . 1 247 . 41 PRO C C 177.3 . 1 248 . 41 PRO CA C 66.1 . 1 249 . 41 PRO HA H 4.13 . 1 250 . 41 PRO CG C 27.5 . 1 251 . 42 TYR N N 114.7 . 1 252 . 42 TYR H H 7.98 . 1 253 . 42 TYR C C 176.3 . 1 254 . 42 TYR CA C 62.7 . 1 255 . 42 TYR HA H 3.95 . 1 256 . 42 TYR CB C 38.4 . 1 257 . 43 ILE N N 117.2 . 1 258 . 43 ILE H H 8.92 . 1 259 . 43 ILE C C 178.1 . 1 260 . 43 ILE CA C 66.1 . 1 261 . 43 ILE HA H 3.59 . 1 262 . 43 ILE CB C 37.9 . 1 263 . 44 ARG N N 115.3 . 1 264 . 44 ARG H H 8.03 . 1 265 . 44 ARG C C 180.3 . 1 266 . 44 ARG CA C 60.8 . 1 267 . 44 ARG HA H 4.13 . 1 268 . 44 ARG CB C 31.4 . 1 269 . 45 ILE N N 116.00 . 1 270 . 45 ILE H H 8.53 . 1 271 . 45 ILE C C 176.9 . 1 272 . 45 ILE CA C 63.6 . 1 273 . 45 ILE HA H 4.12 . 1 274 . 45 ILE CB C 37.4 . 1 275 . 46 GLN N N 111.8 . 1 276 . 46 GLN H H 7.87 . 1 277 . 46 GLN C C 176.5 . 1 278 . 46 GLN CA C 54.5 . 1 279 . 46 GLN HA H 4.8 . 1 280 . 46 GLN CB C 28.8 . 1 281 . 46 GLN CG C 31.2 . 1 282 . 47 GLY N N 106.00 . 1 283 . 47 GLY H H 7.77 . 1 284 . 47 GLY C C 175.7 . 1 285 . 47 GLY CA C 46.9 . 1 286 . 47 GLY HA2 H 4.11 . 1 287 . 47 GLY HA3 H 4.11 . 1 288 . 48 LEU N N 115.3 . 1 289 . 48 LEU H H 8.35 . 1 290 . 48 LEU C C 175.8 . 1 291 . 48 LEU CA C 53.4 . 1 292 . 48 LEU HA H 4.64 . 1 293 . 48 LEU CB C 42.8 . 1 294 . 49 ASP N N 118.1 . 1 295 . 49 ASP H H 8.44 . 1 296 . 49 ASP C C 177.3 . 1 297 . 49 ASP CA C 53.5 . 1 298 . 49 ASP HA H 4.59 . 1 299 . 49 ASP CB C 38.7 . 1 300 . 50 VAL N N 111.9 . 1 301 . 50 VAL H H 8.25 . 1 302 . 50 VAL C C 174.2 . 1 303 . 50 VAL CA C 61.8 . 1 304 . 50 VAL HA H 4.44 . 1 305 . 51 PRO C C 178.3 . 1 306 . 51 PRO CA C 66.5 . 1 307 . 51 PRO HA H 4.3 . 1 308 . 52 LYS N N 112.1 . 1 309 . 52 LYS H H 8.53 . 1 310 . 52 LYS C C 177.7 . 1 311 . 52 LYS CA C 58.4 . 1 312 . 52 LYS HA H 4.25 . 1 313 . 52 LYS CB C 31.6 . 1 314 . 53 LEU N N 115.8 . 1 315 . 53 LEU H H 7.68 . 1 316 . 53 LEU C C 178.7 . 1 317 . 53 LEU CA C 56.8 . 1 318 . 53 LEU HA H 4.53 . 1 319 . 53 LEU CB C 41.8 . 1 320 . 54 ARG N N 116.8 . 1 321 . 54 ARG H H 8.48 . 1 322 . 54 ARG C C 179.4 . 1 323 . 54 ARG CA C 59.9 . 1 324 . 54 ARG HA H 4.06 . 1 325 . 54 ARG CB C 29.8 . 1 326 . 55 GLU N N 115.3 . 1 327 . 55 GLU H H 8.1 . 1 328 . 55 GLU C C 177.5 . 1 329 . 55 GLU CA C 58.1 . 1 330 . 55 GLU HA H 4.2 . 1 331 . 55 GLU CB C 28.8 . 1 332 . 55 GLU CG C 35.1 . 1 333 . 56 HIS N N 112.3 . 1 334 . 56 HIS H H 8.00 . 1 335 . 56 HIS C C 175.2 . 1 336 . 56 HIS CA C 56.1 . 1 337 . 56 HIS HA H 4.87 . 1 338 . 56 HIS CB C 28.9 . 1 339 . 57 CYS N N 116.6 . 1 340 . 57 CYS H H 7.97 . 1 341 . 57 CYS CA C 55.2 . 1 342 . 61 PRO C C 177.7 . 1 343 . 61 PRO CA C 63.9 . 1 344 . 61 PRO HA H 4.57 . 1 345 . 62 GLY N N 109.7 . 1 346 . 62 GLY H H 8.9 . 1 347 . 62 GLY C C 174.6 . 1 348 . 62 GLY CA C 45.2 . 1 349 . 62 GLY HA2 H 4.33 . 1 350 . 62 GLY HA3 H 3.85 . 1 351 . 63 ALA N N 121.8 . 1 352 . 63 ALA H H 7.93 . 1 353 . 63 ALA C C 177.00 . 1 354 . 63 ALA CA C 54.5 . 1 355 . 63 ALA HA H 4.12 . 1 356 . 63 ALA CB C 19.6 . 1 357 . 64 PHE N N 111.9 . 1 358 . 64 PHE H H 8.33 . 1 359 . 64 PHE C C 179.5 . 1 360 . 64 PHE CA C 54.9 . 1 361 . 64 PHE HA H 4.67 . 1 362 . 66 SER C C 180.2 . 1 363 . 66 SER CB C 60.1 . 1 364 . 66 SER HB2 H 4.16 . 1 365 . 66 SER HB3 H 4.16 . 1 366 . 67 GLU N N 119.8 . 1 367 . 67 GLU H H 8.33 . 1 368 . 67 GLU C C 177.8 . 1 369 . 67 GLU CA C 61.00 . 1 370 . 67 GLU HA H 3.87 . 1 371 . 67 GLU CB C 29.3 . 1 372 . 67 GLU CG C 36.4 . 1 373 . 68 GLU N N 114.9 . 1 374 . 68 GLU H H 8.81 . 1 375 . 68 GLU C C 179.3 . 1 376 . 68 GLU CA C 60.00 . 1 377 . 68 GLU HA H 3.98 . 1 378 . 68 GLU CB C 28.5 . 1 379 . 68 GLU CG C 35.9 . 1 380 . 69 THR N N 116.00 . 1 381 . 69 THR H H 8.09 . 1 382 . 69 THR C C 177.3 . 1 383 . 69 THR CA C 66.1 . 1 384 . 69 THR HA H 4.06 . 1 385 . 69 THR CB C 68.1 . 1 386 . 69 THR CG2 C 21.2 . 1 387 . 70 LEU N N 117.6 . 1 388 . 70 LEU H H 8.33 . 1 389 . 70 LEU C C 179.00 . 1 390 . 70 LEU CA C 57.8 . 1 391 . 70 LEU HA H 4.23 . 1 392 . 70 LEU CB C 42.2 . 1 393 . 70 LEU CG C 26.00 . 1 394 . 71 ARG N N 114.2 . 1 395 . 71 ARG H H 8.52 . 1 396 . 71 ARG C C 177.2 . 1 397 . 71 ARG CA C 58.2 . 1 398 . 71 ARG HA H 4.05 . 1 399 . 71 ARG CB C 30.3 . 1 400 . 71 ARG CG C 27.8 . 1 401 . 71 ARG CD C 43.5 . 1 402 . 72 GLY N N 102.4 . 1 403 . 72 GLY H H 7.62 . 1 404 . 72 GLY C C 174.5 . 1 405 . 72 GLY CA C 45.1 . 1 406 . 72 GLY HA2 H 4.34 . 1 407 . 72 GLY HA3 H 3.92 . 1 408 . 73 LEU N N 117.3 . 1 409 . 73 LEU H H 7.08 . 1 410 . 73 LEU C C 178.9 . 1 411 . 73 LEU CA C 54.7 . 1 412 . 73 LEU HA H 4.51 . 1 413 . 74 GLY N N 106.3 . 1 414 . 74 GLY H H 8.5 . 1 415 . 74 GLY CA C 44.4 . 1 416 . 75 ARG C C 176.2 . 1 417 . 75 ARG CA C 56.3 . 1 418 . 75 ARG HA H 4.3 . 1 419 . 76 ARG N N 118.9 . 1 420 . 76 ARG H H 8.13 . 1 421 . 76 ARG C C 176.7 . 1 422 . 76 ARG CA C 57.2 . 1 423 . 76 ARG HA H 4.77 . 1 424 . 76 ARG CG C 29.4 . 1 425 . 77 GLY N N 108.1 . 1 426 . 77 GLY H H 8.16 . 1 427 . 77 GLY C C 173.9 . 1 428 . 77 GLY CA C 45.1 . 1 429 . 77 GLY HA2 H 4.00 . 1 430 . 77 GLY HA3 H 3.9 . 1 431 . 78 PHE N N 117.7 . 1 432 . 78 PHE H H 8.12 . 1 433 . 78 PHE C C 176.7 . 1 434 . 78 PHE CA C 61.2 . 1 435 . 78 PHE HA H 4.46 . 1 436 . 78 PHE CB C 39.1 . 1 437 . 79 LEU N N 116.2 . 1 438 . 79 LEU H H 8.32 . 1 439 . 79 LEU C C 179.1 . 1 440 . 79 LEU CA C 58.2 . 1 441 . 79 LEU HA H 3.9 . 1 442 . 79 LEU CB C 40.8 . 1 443 . 80 GLN N N 116.00 . 1 444 . 80 GLN H H 8.45 . 1 445 . 80 GLN C C 179.4 . 1 446 . 80 GLN CA C 59.2 . 1 447 . 80 GLN HA H 4.19 . 1 448 . 80 GLN CB C 28.3 . 1 449 . 80 GLN CG C 33.7 . 1 450 . 81 THR N N 116.6 . 1 451 . 81 THR H H 8.61 . 1 452 . 81 THR C C 177.6 . 1 453 . 81 THR CA C 66.8 . 1 454 . 81 THR HA H 4.24 . 1 455 . 81 THR CB C 68.4 . 1 456 . 81 THR CG2 C 20.7 . 1 457 . 82 LEU N N 123.8 . 1 458 . 82 LEU H H 8.88 . 1 459 . 82 LEU C C 178.1 . 1 460 . 82 LEU CA C 58.8 . 1 461 . 82 LEU HA H 4.11 . 1 462 . 82 LEU CB C 41.4 . 1 463 . 82 LEU CG C 26.4 . 1 464 . 83 ALA N N 118.8 . 1 465 . 83 ALA H H 8.77 . 1 466 . 83 ALA C C 180.7 . 1 467 . 83 ALA CA C 56.3 . 1 468 . 83 ALA HA H 3.9 . 1 469 . 83 ALA CB C 17.5 . 1 470 . 84 ALA N N 119.2 . 1 471 . 84 ALA H H 8.33 . 1 472 . 84 ALA C C 181.5 . 1 473 . 84 ALA CA C 55.1 . 1 474 . 84 ALA HA H 4.37 . 1 475 . 84 ALA CB C 18.00 . 1 476 . 85 THR N N 115.2 . 1 477 . 85 THR H H 8.63 . 1 478 . 85 THR C C 176.7 . 1 479 . 85 THR CA C 67.2 . 1 480 . 85 THR HA H 4.11 . 1 481 . 85 THR CB C 68.1 . 1 482 . 86 LEU N N 117.2 . 1 483 . 86 LEU H H 8.87 . 1 484 . 86 LEU C C 178.9 . 1 485 . 86 LEU CA C 57.9 . 1 486 . 86 LEU HA H 4.24 . 1 487 . 86 LEU CB C 40.3 . 1 488 . 86 LEU CG C 26.7 . 1 489 . 86 LEU CD1 C 21.6 . 1 490 . 86 LEU CD2 C 21.6 . 1 491 . 87 GLY N N 104.4 . 1 492 . 87 GLY H H 8.08 . 1 493 . 87 GLY C C 175.9 . 1 494 . 87 GLY CA C 47.4 . 1 495 . 87 GLY HA2 H 4.23 . 1 496 . 87 GLY HA3 H 3.92 . 1 497 . 88 ALA N N 123.4 . 1 498 . 88 ALA H H 7.64 . 1 499 . 88 ALA C C 181.3 . 1 500 . 88 ALA CA C 55.1 . 1 501 . 88 ALA HA H 4.44 . 1 502 . 88 ALA CB C 17.6 . 1 503 . 89 VAL N N 118.00 . 1 504 . 89 VAL H H 8.72 . 1 505 . 89 VAL C C 177.6 . 1 506 . 89 VAL CA C 66.6 . 1 507 . 89 VAL HA H 3.9 . 1 508 . 89 VAL CB C 31.4 . 1 509 . 89 VAL CG1 C 23.6 . 1 510 . 89 VAL CG2 C 23.6 . 1 511 . 90 LEU N N 117.7 . 1 512 . 90 LEU H H 8.62 . 1 513 . 90 LEU C C 179.6 . 1 514 . 90 LEU CA C 58.6 . 1 515 . 90 LEU HA H 4.01 . 1 516 . 90 LEU CB C 41.5 . 1 517 . 91 HIS N N 115.2 . 1 518 . 91 HIS H H 7.83 . 1 519 . 91 HIS C C 177.3 . 1 520 . 91 HIS CA C 58.6 . 1 521 . 91 HIS HA H 4.56 . 1 522 . 91 HIS CB C 28.2 . 1 523 . 92 ARG N N 117.9 . 1 524 . 92 ARG H H 8.19 . 1 525 . 92 ARG C C 179.5 . 1 526 . 92 ARG CA C 57.9 . 1 527 . 92 ARG HA H 4.1 . 1 528 . 92 ARG CB C 29.4 . 1 529 . 92 ARG CD C 44.8 . 1 530 . 93 LEU N N 117.8 . 1 531 . 93 LEU H H 9.15 . 1 532 . 93 LEU C C 178.00 . 1 533 . 93 LEU CA C 57.5 . 1 534 . 93 LEU HA H 4.14 . 1 535 . 93 LEU CB C 41.9 . 1 536 . 93 LEU CG C 26.7 . 1 537 . 93 LEU CD1 C 24.6 . 1 538 . 93 LEU CD2 C 24.6 . 1 539 . 94 ALA N N 118.9 . 1 540 . 94 ALA H H 7.76 . 1 541 . 94 ALA C C 180.1 . 1 542 . 94 ALA CA C 55.2 . 1 543 . 94 ALA HA H 4.25 . 1 544 . 94 ALA CB C 17.5 . 1 545 . 95 ASP N N 115.1 . 1 546 . 95 ASP H H 7.27 . 1 547 . 95 ASP C C 178.00 . 1 548 . 95 ASP CA C 57.00 . 1 549 . 95 ASP HA H 4.4 . 1 550 . 95 ASP CB C 41.2 . 1 551 . 96 LEU N N 117.4 . 1 552 . 96 LEU H H 8.01 . 1 553 . 96 LEU C C 180.3 . 1 554 . 96 LEU CA C 58.2 . 1 555 . 96 LEU HA H 4.15 . 1 556 . 96 LEU CB C 42.3 . 1 557 . 97 GLU N N 115.2 . 1 558 . 97 GLU H H 8.8 . 1 559 . 97 GLU C C 178.6 . 1 560 . 97 GLU CA C 58.8 . 1 561 . 97 GLU HA H 4.02 . 1 562 . 97 GLU CB C 28.9 . 1 563 . 97 GLU CG C 35.3 . 1 564 . 98 GLN N N 114.4 . 1 565 . 98 GLN H H 7.63 . 1 566 . 98 GLN C C 176.7 . 1 567 . 98 GLN CA C 57.6 . 1 568 . 98 GLN HA H 4.32 . 1 569 . 98 GLN CB C 28.7 . 1 570 . 98 GLN CG C 33.8 . 1 571 . 99 ARG N N 113.5 . 1 572 . 99 ARG H H 7.55 . 1 573 . 99 ARG C C 176.3 . 1 574 . 99 ARG CA C 54.9 . 1 575 . 99 ARG HA H 4.62 . 1 576 . 99 ARG CB C 30.3 . 1 577 . 99 ARG CD C 43.2 . 1 578 . 100 LEU N N 119.1 . 1 579 . 100 LEU H H 7.28 . 1 580 . 100 LEU C C 174.5 . 1 581 . 100 LEU CA C 53.2 . 1 582 . 100 LEU HA H 4.55 . 1 583 . 101 PRO C C 175.3 . 1 584 . 101 PRO CA C 62.3 . 1 585 . 101 PRO HA H 4.59 . 1 586 . 101 PRO CG C 27.5 . 1 587 . 102 LYS N N 115.7 . 1 588 . 102 LYS H H 8.5 . 1 589 . 102 LYS C C 178.5 . 1 590 . 102 LYS CA C 54.8 . 1 591 . 102 LYS HA H 4.47 . 1 592 . 102 LYS CB C 33.1 . 1 593 . 102 LYS CG C 24.8 . 1 594 . 102 LYS CD C 28.7 . 1 595 . 102 LYS CE C 42.2 . 1 596 . 103 ALA N N 122.4 . 1 597 . 103 ALA H H 8.93 . 1 598 . 103 ALA C C 179.6 . 1 599 . 103 ALA CA C 55.7 . 1 600 . 103 ALA HA H 3.95 . 1 601 . 103 ALA CB C 18.00 . 1 602 . 104 GLN N N 112.00 . 1 603 . 104 GLN H H 8.84 . 1 604 . 104 GLN C C 177.6 . 1 605 . 104 GLN CA C 58.5 . 1 606 . 104 GLN HA H 4.24 . 1 607 . 104 GLN CB C 28.1 . 1 608 . 104 GLN CG C 33.7 . 1 609 . 105 ASP N N 116.6 . 1 610 . 105 ASP H H 7.54 . 1 611 . 105 ASP C C 178.2 . 1 612 . 105 ASP CA C 56.00 . 1 613 . 105 ASP HA H 4.7 . 1 614 . 105 ASP CB C 40.7 . 1 615 . 106 LEU N N 118.5 . 1 616 . 106 LEU H H 7.86 . 1 617 . 106 LEU C C 179.1 . 1 618 . 106 LEU CA C 57.5 . 1 619 . 106 LEU HA H 4.18 . 1 620 . 106 LEU CB C 41.2 . 1 621 . 106 LEU CG C 26.6 . 1 622 . 106 LEU CD1 C 23.9 . 1 623 . 106 LEU CD2 C 23.9 . 1 624 . 107 GLU N N 116.6 . 1 625 . 107 GLU H H 8.42 . 1 626 . 107 GLU C C 179.4 . 1 627 . 107 GLU CA C 58.7 . 1 628 . 107 GLU HA H 4.29 . 1 629 . 107 GLU CB C 28.4 . 1 630 . 107 GLU CG C 34.5 . 1 631 . 108 ARG N N 117.1 . 1 632 . 108 ARG H H 8.05 . 1 633 . 108 ARG C C 177.4 . 1 634 . 108 ARG CA C 58.1 . 1 635 . 108 ARG HA H 4.34 . 1 636 . 108 ARG CB C 29.9 . 1 637 . 108 ARG CG C 27.2 . 1 638 . 108 ARG CD C 43.3 . 1 639 . 109 SER N N 110.9 . 1 640 . 109 SER H H 7.76 . 1 641 . 109 SER C C 174.4 . 1 642 . 109 SER CA C 58.6 . 1 643 . 109 SER HA H 4.68 . 1 644 . 109 SER CB C 64.3 . 1 645 . 110 GLY N N 107.5 . 1 646 . 110 GLY H H 8.11 . 1 647 . 110 GLY C C 174.6 . 1 648 . 110 GLY CA C 45.9 . 1 649 . 110 GLY HA2 H 4.21 . 1 650 . 110 GLY HA3 H 4.21 . 1 651 . 111 LEU N N 118.7 . 1 652 . 111 LEU H H 7.84 . 1 653 . 111 LEU C C 175.7 . 1 654 . 111 LEU CA C 54.1 . 1 655 . 111 LEU HA H 4.56 . 1 656 . 111 LEU CB C 42.7 . 1 657 . 111 LEU CG C 25.4 . 1 658 . 111 LEU CD1 C 22.8 . 1 659 . 111 LEU CD2 C 22.8 . 1 660 . 112 ASN N N 116.5 . 1 661 . 112 ASN H H 8.94 . 1 662 . 112 ASN C C 177.00 . 1 663 . 112 ASN CA C 52.8 . 1 664 . 112 ASN HA H 4.91 . 1 665 . 112 ASN CB C 39.2 . 1 666 . 113 ILE N N 123.00 . 1 667 . 113 ILE H H 8.8 . 1 668 . 113 ILE C C 177.1 . 1 669 . 113 ILE CA C 63.00 . 1 670 . 113 ILE HA H 4.06 . 1 671 . 113 ILE CB C 37.9 . 1 672 . 113 ILE CG1 C 28.3 . 1 673 . 113 ILE CG2 C 17.8 . 1 674 . 113 ILE CD1 C 13.8 . 1 675 . 114 GLU N N 119.2 . 1 676 . 114 GLU H H 8.58 . 1 677 . 114 GLU C C 179.1 . 1 678 . 114 GLU CA C 59.00 . 1 679 . 114 GLU HA H 4.19 . 1 680 . 114 GLU CB C 28.7 . 1 681 . 114 GLU CG C 35.7 . 1 682 . 115 ASP N N 116.1 . 1 683 . 115 ASP H H 7.86 . 1 684 . 115 ASP C C 178.00 . 1 685 . 115 ASP CA C 57.6 . 1 686 . 115 ASP HA H 4.63 . 1 687 . 115 ASP CB C 40.3 . 1 688 . 116 LEU N N 117.7 . 1 689 . 116 LEU H H 7.18 . 1 690 . 116 LEU C C 178.8 . 1 691 . 116 LEU CA C 57.7 . 1 692 . 116 LEU HA H 4.17 . 1 693 . 116 LEU CB C 41.9 . 1 694 . 116 LEU CG C 24.8 . 1 695 . 117 GLU N N 115.9 . 1 696 . 117 GLU H H 8.27 . 1 697 . 117 GLU C C 179.2 . 1 698 . 117 GLU CA C 59.00 . 1 699 . 117 GLU HA H 4.18 . 1 700 . 117 GLU CB C 28.00 . 1 701 . 117 GLU CG C 34.3 . 1 702 . 118 LYS N N 116.00 . 1 703 . 118 LYS H H 8.06 . 1 704 . 118 LYS C C 180.2 . 1 705 . 118 LYS CA C 60.1 . 1 706 . 118 LYS HA H 4.17 . 1 707 . 118 LYS CB C 32.5 . 1 708 . 119 LEU N N 117.4 . 1 709 . 119 LEU H H 7.67 . 1 710 . 119 LEU C C 179.1 . 1 711 . 119 LEU CA C 58.00 . 1 712 . 119 LEU HA H 3.9 . 1 713 . 119 LEU CB C 41.2 . 1 714 . 120 GLN N N 116.4 . 1 715 . 120 GLN H H 8.42 . 1 716 . 120 GLN C C 178.00 . 1 717 . 120 GLN CA C 58.5 . 1 718 . 120 GLN HA H 4.25 . 1 719 . 120 GLN CB C 28.3 . 1 720 . 120 GLN CG C 34.1 . 1 721 . 121 MET N N 114.1 . 1 722 . 121 MET H H 7.94 . 1 723 . 121 MET C C 176.7 . 1 724 . 121 MET CA C 55.4 . 1 725 . 121 MET HA H 4.63 . 1 726 . 121 MET CB C 32.1 . 1 727 . 122 ALA N N 120.00 . 1 728 . 122 ALA H H 7.59 . 1 729 . 122 ALA C C 178.9 . 1 730 . 122 ALA CA C 55.9 . 1 731 . 122 ALA HA H 4.28 . 1 732 . 122 ALA CB C 19.1 . 1 733 . 123 ARG N N 113.2 . 1 734 . 123 ARG H H 8.61 . 1 735 . 123 ARG CA C 62.00 . 1 736 . 124 PRO C C 177.00 . 1 737 . 124 PRO CA C 59.6 . 1 738 . 124 PRO HA H 4.49 . 1 739 . 124 PRO CG C 27.3 . 1 740 . 124 PRO CD C 50.2 . 1 741 . 125 ASN N N 114.5 . 1 742 . 125 ASN H H 8.24 . 1 743 . 125 ASN C C 178.2 . 1 744 . 125 ASN CA C 56.1 . 1 745 . 125 ASN HA H 4.7 . 1 746 . 125 ASN CB C 38.3 . 1 747 . 126 ILE N N 121.3 . 1 748 . 126 ILE H H 8.77 . 1 749 . 126 ILE C C 177.8 . 1 750 . 126 ILE CA C 65.9 . 1 751 . 126 ILE HA H 3.78 . 1 752 . 126 ILE CB C 37.7 . 1 753 . 126 ILE CG2 C 18.7 . 1 754 . 127 LEU N N 120.1 . 1 755 . 127 LEU H H 8.98 . 1 756 . 127 LEU C C 179.7 . 1 757 . 127 LEU CA C 58.4 . 1 758 . 127 LEU HA H 4.05 . 1 759 . 127 LEU CB C 41.7 . 1 760 . 127 LEU CG C 24.6 . 1 761 . 128 GLY N N 103.00 . 1 762 . 128 GLY H H 8.16 . 1 763 . 128 GLY C C 176.4 . 1 764 . 128 GLY CA C 47.00 . 1 765 . 128 GLY HA2 H 4.00 . 1 766 . 128 GLY HA3 H 4.00 . 1 767 . 129 LEU N N 122.4 . 1 768 . 129 LEU H H 7.71 . 1 769 . 129 LEU C C 178.1 . 1 770 . 129 LEU CA C 58.00 . 1 771 . 129 LEU HA H 4.38 . 1 772 . 129 LEU CB C 41.7 . 1 773 . 129 LEU CG C 27.1 . 1 774 . 130 ARG N N 117.2 . 1 775 . 130 ARG H H 8.92 . 1 776 . 130 ARG C C 177.7 . 1 777 . 130 ARG CA C 60.3 . 1 778 . 130 ARG HA H 3.73 . 1 779 . 130 ARG CB C 36.8 . 1 780 . 131 ASN N N 115.3 . 1 781 . 131 ASN H H 8.58 . 1 782 . 131 ASN C C 177.7 . 1 783 . 131 ASN CA C 56.4 . 1 784 . 131 ASN HA H 4.7 . 1 785 . 131 ASN CB C 37.9 . 1 786 . 132 ASN N N 116.5 . 1 787 . 132 ASN H H 7.89 . 1 788 . 132 ASN C C 178.1 . 1 789 . 132 ASN CA C 55.4 . 1 790 . 132 ASN HA H 4.8 . 1 791 . 132 ASN CB C 37.9 . 1 792 . 133 ILE N N 121.00 . 1 793 . 133 ILE H H 8.5 . 1 794 . 133 ILE C C 177.8 . 1 795 . 133 ILE CA C 65.00 . 1 796 . 133 ILE HA H 3.76 . 1 797 . 134 TYR N N 117.9 . 1 798 . 134 TYR H H 8.24 . 1 799 . 134 TYR C C 174.00 . 1 800 . 134 TYR CA C 60.4 . 1 801 . 134 TYR HA H 4.55 . 1 802 . 135 CYS C C 177.6 . 1 803 . 135 CYS CB C 57.00 . 1 804 . 135 CYS HB2 H 4.65 . 1 805 . 135 CYS HB3 H 4.65 . 1 806 . 136 MET N N 120.5 . 1 807 . 136 MET H H 8.7 . 1 808 . 136 MET C C 177.3 . 1 809 . 136 MET CA C 57.6 . 1 810 . 136 MET HA H 4.63 . 1 811 . 136 MET CB C 31.6 . 1 812 . 137 ALA N N 120.6 . 1 813 . 137 ALA H H 8.94 . 1 814 . 137 ALA C C 179.8 . 1 815 . 137 ALA CA C 55.4 . 1 816 . 137 ALA HA H 4.13 . 1 817 . 137 ALA CB C 17.4 . 1 818 . 138 GLN N N 113.00 . 1 819 . 138 GLN H H 7.91 . 1 820 . 138 GLN C C 178.1 . 1 821 . 138 GLN CA C 58.00 . 1 822 . 138 GLN HA H 4.28 . 1 823 . 138 GLN CB C 28.6 . 1 824 . 139 LEU N N 117.1 . 1 825 . 139 LEU H H 7.81 . 1 826 . 139 LEU C C 179.2 . 1 827 . 139 LEU CA C 56.9 . 1 828 . 139 LEU HA H 4.42 . 1 829 . 139 LEU CB C 41.9 . 1 830 . 140 LEU N N 115.6 . 1 831 . 140 LEU H H 7.86 . 1 832 . 140 LEU C C 177.8 . 1 833 . 140 LEU CA C 55.8 . 1 834 . 140 LEU HA H 4.39 . 1 835 . 140 LEU CB C 41.8 . 1 836 . 141 ASP N N 116.9 . 1 837 . 141 ASP H H 8.13 . 1 838 . 141 ASP C C 176.1 . 1 839 . 141 ASP CA C 54.7 . 1 840 . 141 ASP HA H 4.74 . 1 841 . 141 ASP CB C 40.2 . 1 842 . 142 ASN N N 116.6 . 1 843 . 142 ASN H H 8.33 . 1 844 . 142 ASN C C 175.5 . 1 845 . 142 ASN CA C 53.6 . 1 846 . 142 ASN HA H 4.86 . 1 847 . 142 ASN CB C 38.7 . 1 848 . 143 SER N N 112.3 . 1 849 . 143 SER H H 8.24 . 1 850 . 143 SER C C 174.3 . 1 851 . 143 SER CA C 58.7 . 1 852 . 143 SER HA H 4.57 . 1 853 . 143 SER CB C 63.9 . 1 854 . 144 ASP N N 119.5 . 1 855 . 144 ASP H H 8.41 . 1 856 . 144 ASP C C 176.1 . 1 857 . 144 ASP CA C 53.9 . 1 858 . 144 ASP HA H 4.85 . 1 859 . 144 ASP CB C 40.3 . 1 860 . 145 THR N N 111.7 . 1 861 . 145 THR H H 8.15 . 1 862 . 145 THR C C 174.2 . 1 863 . 145 THR CA C 61.7 . 1 864 . 145 THR HA H 4.4 . 1 865 . 145 THR CB C 69.7 . 1 866 . 145 THR CG2 C 21.4 . 1 867 . 146 ALA N N 124.00 . 1 868 . 146 ALA H H 8.31 . 1 869 . 146 ALA C C 177.3 . 1 870 . 146 ALA CA C 52.2 . 1 871 . 146 ALA HA H 4.47 . 1 872 . 146 ALA CB C 19.2 . 1 873 . 147 GLU N N 119.00 . 1 874 . 147 GLU H H 8.32 . 1 875 . 147 GLU CA C 53.8 . 1 876 . 147 GLU HA H 4.7 . 1 877 . 148 PRO C C 177.2 . 1 878 . 148 PRO CA C 62.9 . 1 879 . 148 PRO HA H 4.66 . 1 880 . 148 PRO CG C 27.2 . 1 881 . 148 PRO CD C 50.4 . 1 882 . 149 THR N N 111.5 . 1 883 . 149 THR H H 8.3 . 1 884 . 149 THR C C 173.9 . 1 885 . 149 THR CA C 60.5 . 1 886 . 149 THR HA H 4.55 . 1 887 . 149 THR CB C 78.3 . 1 888 . 149 THR CG2 C 19.1 . 1 889 . 150 LYS N N 121.4 . 1 890 . 150 LYS H H 8.26 . 1 891 . 150 LYS C C 175.8 . 1 892 . 150 LYS CA C 55.9 . 1 893 . 150 LYS HA H 4.48 . 1 894 . 150 LYS CB C 33.3 . 1 895 . 150 LYS CG C 24.5 . 1 896 . 150 LYS CD C 28.9 . 1 897 . 150 LYS CE C 42.1 . 1 898 . 151 ALA N N 123.5 . 1 899 . 151 ALA H H 8.41 . 1 900 . 151 ALA C C 178.1 . 1 901 . 151 ALA CA C 52.2 . 1 902 . 151 ALA HA H 4.47 . 1 903 . 151 ALA CB C 19.4 . 1 904 . 152 GLY N N 106.2 . 1 905 . 152 GLY H H 8.41 . 1 906 . 152 GLY C C 174.2 . 1 907 . 152 GLY CA C 45.1 . 1 908 . 152 GLY HA2 H 4.09 . 1 909 . 152 GLY HA3 H 4.09 . 1 910 . 153 ARG N N 118.3 . 1 911 . 153 ARG H H 8.32 . 1 912 . 153 ARG C C 176.9 . 1 913 . 153 ARG CA C 56.00 . 1 914 . 153 ARG HA H 4.46 . 1 915 . 153 ARG CB C 30.8 . 1 916 . 153 ARG CG C 26.8 . 1 917 . 153 ARG CD C 43.2 . 1 918 . 154 GLY N N 107.8 . 1 919 . 154 GLY H H 8.52 . 1 920 . 154 GLY C C 173.7 . 1 921 . 154 GLY CA C 45.00 . 1 922 . 154 GLY HA2 H 4.06 . 1 923 . 154 GLY HA3 H 4.06 . 1 924 . 155 ALA N N 121.5 . 1 925 . 155 ALA H H 8.21 . 1 926 . 155 ALA C C 177.6 . 1 927 . 155 ALA CA C 52.1 . 1 928 . 155 ALA HA H 4.47 . 1 929 . 155 ALA CB C 19.4 . 1 930 . 156 SER N N 133.00 . 1 931 . 156 SER H H 8.41 . 1 932 . 156 SER C C 173.7 . 1 933 . 156 SER CA C 55.8 . 1 934 . 156 SER HA H 4.69 . 1 935 . 156 SER CB C 69.2 . 1 936 . 157 GLN N N 122.2 . 1 937 . 157 GLN H H 8.5 . 1 938 . 157 GLN C C 173.7 . 1 939 . 157 GLN CA C 53.2 . 1 940 . 157 GLN HA H 4.75 . 1 941 . 163 PRO C C 176.3 . 1 942 . 163 PRO CA C 62.7 . 1 943 . 163 PRO HA H 4.53 . 1 944 . 163 PRO CG C 27.2 . 1 945 . 163 PRO CD C 50.9 . 1 946 . 164 ALA N N 122.3 . 1 947 . 164 ALA H H 8.51 . 1 948 . 164 ALA C C 177.9 . 1 949 . 164 ALA CA C 52.1 . 1 950 . 164 ALA HA H 4.46 . 1 951 . 164 ALA CB C 19.1 . 1 952 . 165 SER N N 113.2 . 1 953 . 165 SER H H 8.44 . 1 954 . 165 SER C C 174.3 . 1 955 . 165 SER CA C 58.6 . 1 956 . 165 SER HA H 4.52 . 1 957 . 165 SER CB C 63.9 . 1 958 . 166 ASP N N 118.8 . 1 959 . 166 ASP H H 8.03 . 1 960 . 166 ASP C C 176.1 . 1 961 . 166 ASP CA C 53.4 . 1 962 . 166 ASP HA H 4.81 . 1 963 . 166 ASP CB C 42.2 . 1 964 . 167 ALA N N 122.1 . 1 965 . 167 ALA H H 8.7 . 1 966 . 167 ALA C C 179.8 . 1 967 . 167 ALA CA C 55.2 . 1 968 . 167 ALA HA H 4.11 . 1 969 . 167 ALA CB C 18.7 . 1 970 . 168 PHE N N 117.2 . 1 971 . 168 PHE H H 8.54 . 1 972 . 168 PHE C C 177.5 . 1 973 . 168 PHE CA C 61.1 . 1 974 . 168 PHE HA H 4.4 . 1 975 . 168 PHE CB C 38.6 . 1 976 . 169 GLN N N 116.6 . 1 977 . 169 GLN H H 8.64 . 1 978 . 169 GLN CA C 58.5 . 1 979 . 171 LYS C C 180.7 . 1 980 . 171 LYS CA C 59.1 . 1 981 . 171 LYS HA H 4.35 . 1 982 . 172 LEU N N 119.8 . 1 983 . 172 LEU H H 8.2 . 1 984 . 172 LEU C C 179.2 . 1 985 . 172 LEU CA C 56.8 . 1 986 . 172 LEU HA H 4.44 . 1 987 . 172 LEU CB C 41.5 . 1 988 . 173 GLU N N 118.2 . 1 989 . 173 GLU H H 8.75 . 1 990 . 173 GLU C C 180.4 . 1 991 . 173 GLU CA C 59.5 . 1 992 . 173 GLU HA H 4.17 . 1 993 . 173 GLU CB C 28.7 . 1 994 . 173 GLU CG C 35.8 . 1 995 . 174 GLY N N 103.5 . 1 996 . 174 GLY H H 8.05 . 1 997 . 174 GLY C C 174.6 . 1 998 . 174 GLY CA C 47.3 . 1 999 . 174 GLY HA2 H 3.99 . 1 1000 . 174 GLY HA3 H 3.99 . 1 1001 . 175 CYS N N 117.4 . 1 1002 . 175 CYS H H 7.99 . 1 1003 . 175 CYS C C 177.00 . 1 1004 . 175 CYS CA C 60.4 . 1 1005 . 175 CYS HA H 4.49 . 1 1006 . 175 CYS CB C 38.8 . 1 1007 . 176 ARG N N 114.5 . 1 1008 . 176 ARG H H 8.25 . 1 1009 . 176 ARG C C 176.4 . 1 1010 . 176 ARG CA C 56.5 . 1 1011 . 176 ARG HA H 4.31 . 1 1012 . 177 PHE C C 176.7 . 1 1013 . 177 PHE CA C 61.00 . 1 1014 . 178 LEU N N 115.2 . 1 1015 . 178 LEU H H 8.06 . 1 1016 . 178 LEU C C 177.9 . 1 1017 . 178 LEU CA C 57.2 . 1 1018 . 178 LEU HA H 3.84 . 1 1019 . 178 LEU CB C 42.2 . 1 1020 . 179 HIS N N 116.4 . 1 1021 . 179 HIS H H 8.81 . 1 1022 . 179 HIS C C 178.3 . 1 1023 . 179 HIS CA C 60.6 . 1 1024 . 179 HIS HA H 4.45 . 1 1025 . 179 HIS CB C 29.8 . 1 1026 . 180 GLY N N 103.1 . 1 1027 . 180 GLY H H 8.35 . 1 1028 . 180 GLY C C 174.2 . 1 1029 . 180 GLY CA C 47.2 . 1 1030 . 180 GLY HA2 H 3.87 . 1 1031 . 180 GLY HA3 H 3.87 . 1 1032 . 181 TYR N N 121.4 . 1 1033 . 181 TYR H H 8.2 . 1 1034 . 181 TYR C C 176.8 . 1 1035 . 181 TYR CA C 60.8 . 1 1036 . 181 TYR HA H 4.48 . 1 1037 . 181 TYR CB C 36.7 . 1 1038 . 182 HIS N N 115.5 . 1 1039 . 182 HIS H H 8.00 . 1 1040 . 182 HIS C C 175.1 . 1 1041 . 182 HIS CA C 60.3 . 1 1042 . 182 HIS HA H 4.2 . 1 1043 . 183 ARG C C 176.8 . 1 1044 . 183 ARG CA C 62.7 . 1 1045 . 183 ARG HA H 4.59 . 1 1046 . 184 PHE N N 114.9 . 1 1047 . 184 PHE H H 8.28 . 1 1048 . 184 PHE C C 176.6 . 1 1049 . 184 PHE CA C 59.6 . 1 1050 . 184 PHE HA H 4.26 . 1 1051 . 184 PHE CB C 43.00 . 1 1052 . 185 MET N N 114.3 . 1 1053 . 185 MET H H 8.77 . 1 1054 . 185 MET C C 178.00 . 1 1055 . 185 MET CA C 59.00 . 1 1056 . 185 MET HA H 3.77 . 1 1057 . 185 MET CB C 28.4 . 1 1058 . 185 MET CG C 34.2 . 1 1059 . 186 HIS N N 117.00 . 1 1060 . 186 HIS H H 7.94 . 1 1061 . 186 HIS C C 178.00 . 1 1062 . 186 HIS CA C 59.1 . 1 1063 . 186 HIS HA H 4.45 . 1 1064 . 186 HIS CB C 27.7 . 1 1065 . 187 SER N N 116.2 . 1 1066 . 187 SER H H 8.66 . 1 1067 . 187 SER C C 175.5 . 1 1068 . 187 SER CA C 62.4 . 1 1069 . 187 SER HA H 3.97 . 1 1070 . 188 VAL N N 119.6 . 1 1071 . 188 VAL H H 8.59 . 1 1072 . 188 VAL C C 178.00 . 1 1073 . 188 VAL CA C 66.5 . 1 1074 . 188 VAL HA H 3.34 . 1 1075 . 188 VAL CB C 31.6 . 1 1076 . 188 VAL CG1 C 23.6 . 1 1077 . 188 VAL CG2 C 23.6 . 1 1078 . 189 GLY N N 105.1 . 1 1079 . 189 GLY H H 8.48 . 1 1080 . 189 GLY C C 177.00 . 1 1081 . 189 GLY CA C 47.4 . 1 1082 . 189 GLY HA2 H 4.11 . 2 1083 . 189 GLY HA3 H 3.95 . 2 1084 . 190 ARG N N 119.00 . 1 1085 . 190 ARG H H 7.7 . 1 1086 . 190 ARG C C 179.9 . 1 1087 . 190 ARG CA C 58.6 . 1 1088 . 190 ARG HA H 4.07 . 1 1089 . 190 ARG CB C 29.3 . 1 1090 . 190 ARG CD C 42.7 . 1 1091 . 191 VAL N N 119.8 . 1 1092 . 191 VAL H H 7.68 . 1 1093 . 191 VAL C C 178.8 . 1 1094 . 191 VAL CA C 66.8 . 1 1095 . 191 VAL HA H 3.56 . 1 1096 . 191 VAL CB C 30.3 . 1 1097 . 191 VAL CG1 C 20.7 . 1 1098 . 191 VAL CG2 C 20.7 . 1 1099 . 192 PHE N N 114.2 . 1 1100 . 192 PHE H H 8.19 . 1 1101 . 192 PHE C C 179.6 . 1 1102 . 192 PHE CA C 60.2 . 1 1103 . 192 PHE HA H 4.06 . 1 1104 . 192 PHE CB C 38.5 . 1 1105 . 193 SER N N 112.8 . 1 1106 . 193 SER H H 8.14 . 1 1107 . 193 SER C C 175.7 . 1 1108 . 193 SER CA C 61.6 . 1 1109 . 193 SER HA H 4.35 . 1 1110 . 193 SER CB C 62.6 . 1 1111 . 194 LYS N N 117.9 . 1 1112 . 194 LYS H H 7.54 . 1 1113 . 194 LYS C C 178.2 . 1 1114 . 194 LYS CA C 55.7 . 1 1115 . 194 LYS HA H 4.64 . 1 1116 . 194 LYS CB C 31.9 . 1 1117 . 194 LYS CG C 24.5 . 1 1118 . 194 LYS CD C 28.2 . 1 1119 . 194 LYS CE C 42.1 . 1 1120 . 195 TRP N N 120.2 . 1 1121 . 195 TRP H H 8.21 . 1 1122 . 195 TRP C C 177.7 . 1 1123 . 195 TRP CA C 59.5 . 1 1124 . 195 TRP HA H 4.68 . 1 1125 . 195 TRP CB C 29.1 . 1 1126 . 196 GLY N N 105.3 . 1 1127 . 196 GLY H H 8.39 . 1 1128 . 196 GLY C C 174.3 . 1 1129 . 196 GLY CA C 45.1 . 1 1130 . 196 GLY HA2 H 4.29 . 2 1131 . 196 GLY HA3 H 4.12 . 2 1132 . 197 GLU N N 117.00 . 1 1133 . 197 GLU H H 8.28 . 1 1134 . 197 GLU C C 175.9 . 1 1135 . 197 GLU CA C 56.7 . 1 1136 . 197 GLU HA H 4.5 . 1 1137 . 197 GLU CB C 29.9 . 1 1138 . 197 GLU CG C 35.2 . 1 1139 . 198 SER N N 113.7 . 1 1140 . 198 SER H H 8.15 . 1 1141 . 198 SER CA C 55.6 . 1 1142 . 198 SER HA H 4.4 . 1 1143 . 199 PRO C C 176.2 . 1 1144 . 199 PRO CA C 63.00 . 1 1145 . 199 PRO HA H 4.29 . 1 1146 . 199 PRO CG C 26.8 . 1 1147 . 199 PRO CD C 50.4 . 1 1148 . 200 ALA N N 121.3 . 1 1149 . 200 ALA H H 8.04 . 1 1150 . 200 ALA C C 177.3 . 1 1151 . 200 ALA CA C 52.2 . 1 1152 . 200 ALA HA H 4.35 . 1 1153 . 200 ALA CB C 19.3 . 1 1154 . 201 ARG N N 117.7 . 1 1155 . 201 ARG H H 8.23 . 1 1156 . 201 ARG C C 176.2 . 1 1157 . 201 ARG CA C 55.8 . 1 1158 . 201 ARG HA H 4.48 . 1 1159 . 201 ARG CB C 31.00 . 1 1160 . 201 ARG CG C 27.1 . 1 1161 . 201 ARG CD C 43.2 . 1 1162 . 202 SER N N 115.3 . 1 1163 . 202 SER H H 8.39 . 1 1164 . 202 SER C C 173.5 . 1 1165 . 202 SER CA C 58.3 . 1 1166 . 202 SER HA H 4.56 . 1 1167 . 202 SER CB C 63.98 . 1 1168 . 203 ARG N N 124.9 . 1 1169 . 203 ARG H H 8.02 . 1 1170 . 203 ARG C C 177.6 . 1 1171 . 203 ARG CA C 57.4 . 1 stop_ save_