data_4150 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Signal Transducer gp130: Solution Structure of the Carboxy-terminal Domain of the Cytokine Receptor Homology Region ; _BMRB_accession_number 4150 _BMRB_flat_file_name bmr4150.str _Entry_type original _Submission_date 1998-06-19 _Accession_date 1998-06-19 _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 Kernebek T. . . 2 Pflanz S. . . 3 Muller-Newen G. . . 4 Kurapkat G. . . 5 Scheek R.M. . . 6 Dijkstra K. . . 7 Heinrich P.C. . . 8 Wollmer A. . . 9 Grzesiek S. . . 10 Grotzinger Joachim . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 667 "13C chemical shifts" 392 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-04-04 original author . stop_ _Original_release_date 2000-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; and Grotzinger, J., "The Signal Transducer gp130: Solution Structure of the Carboxy-terminal Domain of the Cytokine Receptor Homology Region," Protein Sci. 8, 5-12 (1999). ; _Citation_title ; The Signal Transducer gp130: Solution Structure of the Carboxy-terminal Domain of the Cytokine Receptor Homology Region ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99224884 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kernebek T. . . 2 Pflanz S. . . 3 Muller-Newen G. . . 4 Kurapkat G. . . 5 Scheek R.M. . . 6 Dijkstra K. . . 7 Heinrich P.C. . . 8 Wollmer A. . . 9 Grzesiek S. . . 10 Grotzinger Joachim . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 8 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5 _Page_last 12 _Year 1999 _Details . save_ ################################## # Molecular system description # ################################## save_system_gp130 _Saveframe_category molecular_system _Mol_system_name 'third extracellular N-terminal domain of gp130' _Abbreviation_common gp130 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'gp130 domain 3' $gp130 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'cytokine receptor homology domain' receptor signaltransducer stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_gp130 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gp130 _Name_variant 'gp130 third domain' _Abbreviation_common gp130 _Molecular_mass 12386 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; MDKVKPNPPHNLSVINSEEL SSILKLTWTNPSIKSVIILK YNIQYRTKDASTWSQIPPED TASTRSSFTVQDLKPFTEYV FRIRCMKEDGKGYWSDWSEE ASGITYEDR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 VAL 5 LYS 6 PRO 7 ASN 8 PRO 9 PRO 10 HIS 11 ASN 12 LEU 13 SER 14 VAL 15 ILE 16 ASN 17 SER 18 GLU 19 GLU 20 LEU 21 SER 22 SER 23 ILE 24 LEU 25 LYS 26 LEU 27 THR 28 TRP 29 THR 30 ASN 31 PRO 32 SER 33 ILE 34 LYS 35 SER 36 VAL 37 ILE 38 ILE 39 LEU 40 LYS 41 TYR 42 ASN 43 ILE 44 GLN 45 TYR 46 ARG 47 THR 48 LYS 49 ASP 50 ALA 51 SER 52 THR 53 TRP 54 SER 55 GLN 56 ILE 57 PRO 58 PRO 59 GLU 60 ASP 61 THR 62 ALA 63 SER 64 THR 65 ARG 66 SER 67 SER 68 PHE 69 THR 70 VAL 71 GLN 72 ASP 73 LEU 74 LYS 75 PRO 76 PHE 77 THR 78 GLU 79 TYR 80 VAL 81 PHE 82 ARG 83 ILE 84 ARG 85 CYS 86 MET 87 LYS 88 GLU 89 ASP 90 GLY 91 LYS 92 GLY 93 TYR 94 TRP 95 SER 96 ASP 97 TRP 98 SER 99 GLU 100 GLU 101 ALA 102 SER 103 GLY 104 ILE 105 THR 106 TYR 107 GLU 108 ASP 109 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1BJ8 "Third N-Terminal Domain Of Gp130, Nmr, Minimized Average Structure" 100.00 109 100.00 100.00 3.13e-73 PDB 1BQU "Cytokyne-Binding Region Of Gp130" 98.17 215 100.00 100.00 1.05e-69 PDB 1I1R "Crystal Structure Of A CytokineRECEPTOR COMPLEX" 98.17 303 100.00 100.00 1.75e-69 PDB 1P9M "Crystal Structure Of The Hexameric Human Il-6/il-6 Alpha Receptor/gp130 Complex" 94.50 299 100.00 100.00 6.67e-66 PDB 1PVH "Crystal Structure Of Leukemia Inhibitory Factor In Complex With Gp130" 96.33 201 100.00 100.00 1.75e-68 PDB 3L5H "Crystal Structure Of The Full Ectodomain Of Human Gp130: New Insights Into The Molecular Assembly Of Receptor Complexes" 98.17 589 100.00 100.00 1.96e-66 DBJ BAA78112 "gp130 of the rheumatoid arthritis antigenic peptide-bearing soluble form (gp130-RAPS) [Homo sapiens]" 97.25 329 100.00 100.00 2.02e-68 DBJ BAD89392 "IL6ST nirs variant 3 [Homo sapiens]" 99.08 203 97.22 100.00 5.54e-71 DBJ BAD89393 "IL6ST nirs variant 4 [Homo sapiens]" 98.17 857 100.00 100.00 7.73e-66 DBJ BAG10979 "interleukin-6 receptor subunit beta precursor [synthetic construct]" 98.17 918 100.00 100.00 1.88e-65 GB AAA59155 "membrane glycoprotein 130 [Homo sapiens]" 98.17 918 100.00 100.00 1.88e-65 GB AAI17403 "Interleukin 6 signal transducer (gp130, oncostatin M receptor) [Homo sapiens]" 98.17 918 100.00 100.00 1.74e-65 GB AAI17405 "Interleukin 6 signal transducer (gp130, oncostatin M receptor) [Homo sapiens]" 98.17 918 100.00 100.00 1.74e-65 GB ABI18993 "gp130 [Callithrix jacchus]" 98.17 915 98.13 98.13 3.02e-64 GB ABK41905 "interleukin 6 signal transducer (gp130, oncostatin M receptor) [Homo sapiens]" 98.17 918 100.00 100.00 1.88e-65 REF NP_001177910 "interleukin-6 receptor subunit beta isoform 3 precursor [Homo sapiens]" 98.17 857 100.00 100.00 7.73e-66 REF NP_001252920 "interleukin-6 receptor subunit beta precursor [Macaca mulatta]" 98.17 918 97.20 98.13 8.03e-63 REF NP_001254695 "interleukin-6 receptor subunit beta precursor [Callithrix jacchus]" 98.17 915 98.13 98.13 3.02e-64 REF NP_002175 "interleukin-6 receptor subunit beta isoform 1 precursor [Homo sapiens]" 98.17 918 100.00 100.00 1.88e-65 REF NP_786943 "interleukin-6 receptor subunit beta isoform 2 precursor [Homo sapiens]" 97.25 329 100.00 100.00 2.02e-68 SP P40189 "RecName: Full=Interleukin-6 receptor subunit beta; Short=IL-6 receptor subunit beta; Short=IL-6R subunit beta; Short=IL-6R-beta" 98.17 918 100.00 100.00 1.88e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gp130 Human 9606 Eukaryota Metazoa Homo sapien 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 $gp130 '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 $gp130 2.0 mM '[U-15N; U-13C]' 'phosphate buffer' 20 mM . NaCl 200 mM . DTT 0.1 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_15N-edited_HOHAHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited HOHAHA' _Sample_label . save_ save_13C-edited_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited TOCSY' _Sample_label . save_ save_15N-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label . save_ save_13C-edited_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_unknown_11 _Saveframe_category NMR_applied_experiment _Experiment_name unknown _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 7.4 0.2 n/a temperature 298 0 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label unknown stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'gp130 domain 3' _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 MET HA H 3.733 . . 2 . 1 MET CB C 74.762 . . 3 . 1 MET HB2 H 1.948 . . 4 . 1 MET HB3 H 1.991 . . 5 . 1 MET CG C 71.448 . . 6 . 1 MET HG2 H 2.542 . . 7 . 1 MET HG3 H 2.542 . . 8 . 2 ASP CA C 54.408 . . 9 . 2 ASP HA H 4.573 . . 10 . 2 ASP CB C 81.369 . . 11 . 2 ASP HB2 H 2.562 . . 12 . 2 ASP HB3 H 2.649 . . 13 . 3 LYS N N 121.212 . . 14 . 3 LYS H H 8.321 . . 15 . 3 LYS CA C 56.031 . . 16 . 3 LYS HA H 4.221 . . 17 . 3 LYS CB C 72.767 . . 18 . 3 LYS HB3 H 1.634 . . 19 . 3 LYS HB2 H 1.634 . . 20 . 3 LYS CG C 64.856 . . 21 . 3 LYS HG2 H 1.269 . . 22 . 3 LYS HG3 H 1.363 . . 23 . 3 LYS CD C 68.965 . . 24 . 3 LYS HD2 H 1.581 . . 25 . 3 LYS HD3 H 1.581 . . 26 . 3 LYS CE C 81.772 . . 27 . 3 LYS HE2 H 2.908 . . 28 . 3 LYS HE3 H 2.908 . . 29 . 4 VAL N N 119.953 . . 30 . 4 VAL H H 7.957 . . 31 . 4 VAL CA C 62.357 . . 32 . 4 VAL HA H 4.028 . . 33 . 4 VAL CB C 72.860 . . 34 . 4 VAL HB H 1.948 . . 35 . 4 VAL CG2 C 60.957 . . 36 . 4 VAL CG1 C 60.957 . . 37 . 4 VAL HG1 H 0.816 . . 38 . 4 VAL HG2 H 0.816 . . 39 . 5 LYS N N 125.275 . . 40 . 5 LYS H H 8.190 . . 41 . 5 LYS CA C 53.590 . . 42 . 5 LYS HA H 4.581 . . 43 . 5 LYS CB C 73.254 . . 44 . 5 LYS HB2 H 1.580 . . 45 . 5 LYS HB3 H 1.687 . . 46 . 5 LYS CG C 64.316 . . 47 . 5 LYS HG3 H 1.283 . . 48 . 5 LYS HG2 H 1.283 . . 49 . 5 LYS CD C 69.324 . . 50 . 5 LYS HD2 H 1.611 . . 51 . 5 LYS HD3 H 1.611 . . 52 . 5 LYS CE C 81.579 . . 53 . 5 LYS HE2 H 2.995 . . 54 . 5 LYS HE3 H 2.995 . . 55 . 6 PRO CA C 62.082 . . 56 . 6 PRO HA H 4.503 . . 57 . 6 PRO CB C 71.365 . . 58 . 6 PRO HB3 H 2.002 . . 59 . 6 PRO HB2 H 2.002 . . 60 . 6 PRO CG C 67.312 . . 61 . 6 PRO HG2 H 1.829 . . 62 . 6 PRO HG3 H 1.888 . . 63 . 6 PRO CD C 50.856 . . 64 . 6 PRO HD2 H 3.512 . . 65 . 6 PRO HD3 H 3.892 . . 66 . 7 ASN N N 119.187 . . 67 . 7 ASN H H 8.226 . . 68 . 7 ASN CA C 51.764 . . 69 . 7 ASN HA H 4.816 . . 70 . 7 ASN CB C 77.263 . . 71 . 7 ASN HB2 H 2.545 . . 72 . 7 ASN HB3 H 3.015 . . 73 . 7 ASN ND2 N 112.985 . . 74 . 7 ASN HD21 H 7.731 . . 75 . 7 ASN HD22 H 7.079 . . 76 . 8 PRO CA C 61.354 . . 77 . 8 PRO HA H 4.974 . . 78 . 8 PRO CB C 69.478 . . 79 . 8 PRO HB2 H 1.856 . . 80 . 8 PRO HB3 H 2.528 . . 81 . 8 PRO CG C 67.423 . . 82 . 8 PRO HG3 H 1.943 . . 83 . 8 PRO HG2 H 1.943 . . 84 . 8 PRO CD C 89.499 . . 85 . 8 PRO HD2 H 3.626 . . 86 . 8 PRO HD3 H 4.002 . . 87 . 9 PRO CA C 62.647 . . 88 . 9 PRO HA H 4.777 . . 89 . 9 PRO CB C 72.276 . . 90 . 9 PRO HB2 H 1.348 . . 91 . 9 PRO HB3 H 2.406 . . 92 . 9 PRO CG C 67.606 . . 93 . 9 PRO HG2 H 1.498 . . 94 . 9 PRO HG3 H 1.744 . . 95 . 9 PRO CD C 89.795 . . 96 . 9 PRO HD2 H 3.345 . . 97 . 9 PRO HD3 H 4.141 . . 98 . 10 HIS N N 117.428 . . 99 . 10 HIS H H 8.635 . . 100 . 10 HIS CA C 54.456 . . 101 . 10 HIS HA H 5.158 . . 102 . 10 HIS CB C 72.650 . . 103 . 10 HIS HB2 H 3.073 . . 104 . 10 HIS HB3 H 3.314 . . 105 . 10 HIS CD2 C 81.238 . . 106 . 10 HIS HD2 H 6.928 . . 107 . 10 HIS CE1 C 58.410 . . 108 . 10 HIS HE1 H 7.706 . . 109 . 11 ASN N N 116.651 . . 110 . 11 ASN H H 9.042 . . 111 . 11 ASN CA C 53.857 . . 112 . 11 ASN HA H 4.417 . . 113 . 11 ASN CB C 76.992 . . 114 . 11 ASN HB2 H 2.699 . . 115 . 11 ASN HB3 H 3.095 . . 116 . 11 ASN ND2 N 111.856 . . 117 . 11 ASN HD21 H 7.512 . . 118 . 11 ASN HD22 H 6.858 . . 119 . 12 LEU N N 120.240 . . 120 . 12 LEU H H 8.237 . . 121 . 12 LEU CA C 56.556 . . 122 . 12 LEU HA H 5.095 . . 123 . 12 LEU CB C 83.013 . . 124 . 12 LEU HB2 H 1.327 . . 125 . 12 LEU HB3 H 1.759 . . 126 . 12 LEU CG C 69.279 . . 127 . 12 LEU HG H 1.581 . . 128 . 12 LEU CD1 C 66.366 . . 129 . 12 LEU HD1 H 0.961 . . 130 . 12 LEU CD2 C 63.704 . . 131 . 12 LEU HD2 H 0.969 . . 132 . 13 SER N N 119.458 . . 133 . 13 SER H H 9.113 . . 134 . 13 SER CA C 57.517 . . 135 . 13 SER HA H 4.717 . . 136 . 13 SER CB C 65.722 . . 137 . 13 SER HB3 H 3.688 . . 138 . 13 SER HB2 H 3.688 . . 139 . 14 VAL N N 123.454 . . 140 . 14 VAL H H 8.472 . . 141 . 14 VAL CA C 60.963 . . 142 . 14 VAL HA H 4.730 . . 143 . 14 VAL CB C 72.729 . . 144 . 14 VAL HB H 1.922 . . 145 . 14 VAL CG2 C 61.431 . . 146 . 14 VAL HG2 H 0.613 . . 147 . 14 VAL CG1 C 64.283 . . 148 . 14 VAL HG1 H 0.725 . . 149 . 15 ILE N N 126.769 . . 150 . 15 ILE H H 9.399 . . 151 . 15 ILE CA C 59.861 . . 152 . 15 ILE HA H 4.582 . . 153 . 15 ILE CB C 81.714 . . 154 . 15 ILE HB H 1.802 . . 155 . 15 ILE CG1 C 67.192 . . 156 . 15 ILE HG12 H 1.156 . . 157 . 15 ILE HG13 H 1.399 . . 158 . 15 ILE CD1 C 53.617 . . 159 . 15 ILE HD1 H 0.799 . . 160 . 15 ILE CG2 C 57.522 . . 161 . 15 ILE HG2 H 0.980 . . 162 . 16 ASN N N 123.330 . . 163 . 16 ASN H H 8.450 . . 164 . 16 ASN CA C 52.427 . . 165 . 16 ASN HA H 4.899 . . 166 . 16 ASN CB C 78.912 . . 167 . 16 ASN HB2 H 2.915 . . 168 . 16 ASN HB3 H 3.082 . . 169 . 16 ASN ND2 N 110.364 . . 170 . 16 ASN HD21 H 7.262 . . 171 . 16 ASN HD22 H 7.187 . . 172 . 17 SER N N 113.204 . . 173 . 17 SER H H 8.134 . . 174 . 17 SER CA C 57.398 . . 175 . 17 SER HA H 4.487 . . 176 . 17 SER CB C 64.266 . . 177 . 17 SER HB3 H 3.781 . . 178 . 17 SER HB2 H 3.781 . . 179 . 18 GLU N N 122.987 . . 180 . 18 GLU H H 8.549 . . 181 . 18 GLU CA C 56.480 . . 182 . 18 GLU HA H 3.541 . . 183 . 18 GLU CB C 70.092 . . 184 . 18 GLU HB2 H 1.707 . . 185 . 18 GLU HB3 H 1.882 . . 186 . 18 GLU CG C 76.159 . . 187 . 18 GLU HG2 H 2.116 . . 188 . 18 GLU HG3 H 2.116 . . 189 . 19 GLU N N 118.162 . . 190 . 19 GLU H H 8.250 . . 191 . 19 GLU CA C 57.097 . . 192 . 19 GLU HA H 4.125 . . 193 . 19 GLU CB C 69.830 . . 194 . 19 GLU HB2 H 1.820 . . 195 . 19 GLU HB3 H 1.931 . . 196 . 19 GLU CG C 76.369 . . 197 . 19 GLU HG2 H 2.148 . . 198 . 19 GLU HG3 H 2.148 . . 199 . 20 LEU N N 119.072 . . 200 . 20 LEU H H 7.482 . . 201 . 20 LEU CA C 54.436 . . 202 . 20 LEU HA H 4.683 . . 203 . 20 LEU CB C 84.806 . . 204 . 20 LEU HB3 H 1.565 . . 205 . 20 LEU HB2 H 1.565 . . 206 . 20 LEU CG C 67.324 . . 207 . 20 LEU HG H 1.554 . . 208 . 20 LEU CD1 C 64.257 . . 209 . 20 LEU CD2 C 64.257 . . 210 . 20 LEU HD1 H 0.916 . . 211 . 20 LEU HD2 H 0.916 . . 212 . 21 SER N N 118.519 . . 213 . 21 SER H H 8.754 . . 214 . 21 SER CA C 59.469 . . 215 . 21 SER HA H 4.495 . . 216 . 21 SER CB C 63.971 . . 217 . 21 SER HB2 H 3.898 . . 218 . 21 SER HB3 H 4.149 . . 219 . 22 SER N N 107.707 . . 220 . 22 SER H H 7.196 . . 221 . 22 SER CA C 56.424 . . 222 . 22 SER HA H 4.552 . . 223 . 22 SER CB C 64.680 . . 224 . 22 SER HB2 H 3.697 . . 225 . 22 SER HB3 H 4.288 . . 226 . 23 ILE N N 113.345 . . 227 . 23 ILE H H 6.800 . . 228 . 23 ILE CA C 58.651 . . 229 . 23 ILE HA H 5.365 . . 230 . 23 ILE CB C 81.806 . . 231 . 23 ILE HB H 1.554 . . 232 . 23 ILE CG1 C 66.260 . . 233 . 23 ILE HG12 H 1.055 . . 234 . 23 ILE HG13 H 1.357 . . 235 . 23 ILE CD1 C 54.010 . . 236 . 23 ILE HD1 H 0.760 . . 237 . 23 ILE CG2 C 58.308 . . 238 . 23 ILE HG2 H 0.735 . . 239 . 24 LEU N N 121.258 . . 240 . 24 LEU H H 8.031 . . 241 . 24 LEU CA C 54.356 . . 242 . 24 LEU HA H 4.491 . . 243 . 24 LEU CB C 86.153 . . 244 . 24 LEU HB2 H 0.916 . . 245 . 24 LEU HB3 H 1.194 . . 246 . 24 LEU CG C 66.376 . . 247 . 24 LEU HG H 1.450 . . 248 . 24 LEU CD1 C 66.460 . . 249 . 24 LEU HD1 H 0.828 . . 250 . 24 LEU CD2 C 62.782 . . 251 . 24 LEU HD2 H 0.763 . . 252 . 25 LYS N N 121.034 . . 253 . 25 LYS H H 8.861 . . 254 . 25 LYS CA C 54.958 . . 255 . 25 LYS HA H 4.806 . . 256 . 25 LYS CB C 74.259 . . 257 . 25 LYS HB2 H 1.545 . . 258 . 25 LYS HB3 H 1.745 . . 259 . 25 LYS CG C 65.192 . . 260 . 25 LYS HG2 H 1.072 . . 261 . 25 LYS HG3 H 1.155 . . 262 . 25 LYS CD C 69.502 . . 263 . 25 LYS HD2 H 1.470 . . 264 . 25 LYS HD3 H 1.470 . . 265 . 25 LYS CE C 81.650 . . 266 . 25 LYS HE2 H 2.670 . . 267 . 25 LYS HE3 H 2.670 . . 268 . 26 LEU N N 126.707 . . 269 . 26 LEU H H 8.974 . . 270 . 26 LEU CA C 52.992 . . 271 . 26 LEU HA H 5.285 . . 272 . 26 LEU CB C 84.667 . . 273 . 26 LEU HB2 H 1.482 . . 274 . 26 LEU HB3 H 1.695 . . 275 . 26 LEU CG C 67.582 . . 276 . 26 LEU HG H 1.548 . . 277 . 26 LEU CD1 C 64.197 . . 278 . 26 LEU HD1 H 0.590 . . 279 . 26 LEU CD2 C 64.564 . . 280 . 26 LEU HD2 H 0.340 . . 281 . 27 THR N N 113.996 . . 282 . 27 THR H H 8.883 . . 283 . 27 THR CA C 60.118 . . 284 . 27 THR HA H 4.857 . . 285 . 27 THR CB C 71.710 . . 286 . 27 THR HB H 4.165 . . 287 . 27 THR CG2 C 61.213 . . 288 . 27 THR HG2 H 0.991 . . 289 . 28 TRP N N 116.418 . . 290 . 28 TRP H H 7.755 . . 291 . 28 TRP CA C 57.420 . . 292 . 28 TRP HA H 4.892 . . 293 . 28 TRP CB C 69.956 . . 294 . 28 TRP HB2 H 2.909 . . 295 . 28 TRP HB3 H 3.339 . . 296 . 28 TRP CD1 C 85.854 . . 297 . 28 TRP HD1 H 6.507 . . 298 . 28 TRP NE1 N 128.949 . . 299 . 28 TRP HE1 H 9.385 . . 300 . 28 TRP CZ2 C 74.795 . . 301 . 28 TRP HZ2 H 5.835 . . 302 . 28 TRP CH2 C 82.392 . . 303 . 28 TRP HH2 H 6.155 . . 304 . 28 TRP CZ3 C 80.320 . . 305 . 28 TRP HZ3 H 6.444 . . 306 . 28 TRP CE3 C 80.239 . . 307 . 28 TRP HE3 H 6.741 . . 308 . 29 THR N N 114.110 . . 309 . 29 THR H H 8.946 . . 310 . 29 THR CA C 61.386 . . 311 . 29 THR HA H 4.539 . . 312 . 29 THR CB C 69.772 . . 313 . 29 THR HB H 2.906 . . 314 . 29 THR CG2 C 62.629 . . 315 . 29 THR HG2 H 1.302 . . 316 . 30 ASN N N 124.956 . . 317 . 30 ASN H H 9.119 . . 318 . 30 ASN CA C 52.901 . . 319 . 30 ASN HA H 5.053 . . 320 . 30 ASN CB C 78.917 . . 321 . 30 ASN HB2 H 2.687 . . 322 . 30 ASN HB3 H 2.763 . . 323 . 30 ASN ND2 N 118.159 . . 324 . 30 ASN HD21 H 8.114 . . 325 . 30 ASN HD22 H 7.250 . . 326 . 31 PRO CA C 62.302 . . 327 . 31 PRO HA H 4.668 . . 328 . 31 PRO CB C 72.495 . . 329 . 31 PRO HB2 H 2.011 . . 330 . 31 PRO HB3 H 2.112 . . 331 . 31 PRO CG C 67.276 . . 332 . 31 PRO HG2 H 1.843 . . 333 . 31 PRO HG3 H 2.392 . . 334 . 31 PRO CD C 90.027 . . 335 . 31 PRO HD2 H 3.379 . . 336 . 31 PRO HD3 H 3.865 . . 337 . 32 SER CA C 58.770 . . 338 . 32 SER HA H 4.368 . . 339 . 32 SER CB C 62.970 . . 340 . 32 SER HB3 H 3.872 . . 341 . 32 SER HB2 H 3.872 . . 342 . 33 ILE N N 123.124 . . 343 . 33 ILE H H 8.019 . . 344 . 33 ILE CA C 59.775 . . 345 . 33 ILE HA H 4.497 . . 346 . 33 ILE CB C 80.667 . . 347 . 33 ILE HB H 1.935 . . 348 . 33 ILE CG1 C 66.165 . . 349 . 33 ILE HG12 H 1.193 . . 350 . 33 ILE HG13 H 1.452 . . 351 . 33 ILE CD1 C 53.878 . . 352 . 33 ILE HD1 H 0.848 . . 353 . 33 ILE CG2 C 58.091 . . 354 . 33 ILE HG2 H 0.916 . . 355 . 34 LYS CA C 57.095 . . 356 . 34 LYS HA H 4.336 . . 357 . 34 LYS CB C 72.527 . . 358 . 34 LYS HB2 H 1.835 . . 359 . 34 LYS HB3 H 1.937 . . 360 . 34 LYS CG C 64.833 . . 361 . 34 LYS HG3 H 1.511 . . 362 . 34 LYS HG2 H 1.511 . . 363 . 34 LYS CD C 68.767 . . 364 . 34 LYS HD2 H 1.691 . . 365 . 34 LYS HD3 H 1.691 . . 366 . 34 LYS CE C 81.556 . . 367 . 34 LYS HE2 H 2.988 . . 368 . 34 LYS HE3 H 2.988 . . 369 . 35 SER CA C 59.616 . . 370 . 35 SER HA H 4.333 . . 371 . 35 SER CB C 63.553 . . 372 . 35 SER HB3 H 3.931 . . 373 . 35 SER HB2 H 3.931 . . 374 . 36 VAL N N 116.016 . . 375 . 36 VAL H H 7.593 . . 376 . 36 VAL CA C 62.570 . . 377 . 36 VAL HA H 4.137 . . 378 . 36 VAL CB C 71.318 . . 379 . 36 VAL HB H 2.239 . . 380 . 36 VAL CG2 C 59.885 . . 381 . 36 VAL HG2 H 0.911 . . 382 . 36 VAL CG1 C 61.160 . . 383 . 36 VAL HG1 H 0.932 . . 384 . 37 ILE N N 123.035 . . 385 . 37 ILE H H 7.719 . . 386 . 37 ILE CA C 59.838 . . 387 . 37 ILE HA H 4.292 . . 388 . 37 ILE CB C 78.897 . . 389 . 37 ILE HB H 1.940 . . 390 . 37 ILE CG1 C 66.910 . . 391 . 37 ILE HG12 H 1.165 . . 392 . 37 ILE HG13 H 1.456 . . 393 . 37 ILE CD1 C 52.516 . . 394 . 37 ILE HD1 H 0.795 . . 395 . 37 ILE CG2 C 57.872 . . 396 . 37 ILE HG2 H 0.816 . . 397 . 38 ILE N N 125.320 . . 398 . 38 ILE H H 8.252 . . 399 . 38 ILE CA C 60.811 . . 400 . 38 ILE HA H 3.980 . . 401 . 38 ILE CB C 78.667 . . 402 . 38 ILE HB H 1.808 . . 403 . 38 ILE CG1 C 67.228 . . 404 . 38 ILE HG12 H 1.269 . . 405 . 38 ILE HG13 H 1.600 . . 406 . 38 ILE CD1 C 52.291 . . 407 . 38 ILE HD1 H 0.911 . . 408 . 38 ILE CG2 C 58.096 . . 409 . 38 ILE HG2 H 1.012 . . 410 . 39 LEU N N 126.334 . . 411 . 39 LEU H H 7.824 . . 412 . 39 LEU CA C 53.372 . . 413 . 39 LEU HA H 4.797 . . 414 . 39 LEU CB C 84.498 . . 415 . 39 LEU HB2 H 0.693 . . 416 . 39 LEU HB3 H 1.781 . . 417 . 39 LEU CG C 66.985 . . 418 . 39 LEU HG H 1.577 . . 419 . 39 LEU CD1 C 65.596 . . 420 . 39 LEU HD1 H 0.936 . . 421 . 39 LEU CD2 C 63.537 . . 422 . 39 LEU HD2 H 0.580 . . 423 . 40 LYS N N 112.192 . . 424 . 40 LYS H H 8.077 . . 425 . 40 LYS CA C 53.670 . . 426 . 40 LYS HA H 4.456 . . 427 . 40 LYS CB C 75.546 . . 428 . 40 LYS HB2 H 1.686 . . 429 . 40 LYS HB3 H 1.768 . . 430 . 40 LYS CG C 63.987 . . 431 . 40 LYS HG3 H 1.575 . . 432 . 40 LYS HG2 H 1.575 . . 433 . 40 LYS CD C 69.534 . . 434 . 40 LYS HD2 H 1.691 . . 435 . 40 LYS HD3 H 1.691 . . 436 . 40 LYS CE C 81.979 . . 437 . 40 LYS HE3 H 2.668 . . 438 . 40 LYS HE2 H 2.755 . . 439 . 41 TYR N N 112.231 . . 440 . 41 TYR H H 8.425 . . 441 . 41 TYR CA C 56.893 . . 442 . 41 TYR HA H 5.801 . . 443 . 41 TYR CB C 82.581 . . 444 . 41 TYR HB2 H 2.653 . . 445 . 41 TYR HB3 H 2.858 . . 446 . 41 TYR HD1 H 6.842 . . 447 . 41 TYR HE1 H 7.216 . . 448 . 41 TYR HE2 H 7.216 . . 449 . 41 TYR HD2 H 6.842 . . 450 . 42 ASN N N 119.291 . . 451 . 42 ASN H H 8.191 . . 452 . 42 ASN CA C 52.128 . . 453 . 42 ASN HA H 5.336 . . 454 . 42 ASN CB C 81.787 . . 455 . 42 ASN HB2 H 1.987 . . 456 . 42 ASN HB3 H 2.389 . . 457 . 42 ASN ND2 N 107.749 . . 458 . 42 ASN HD21 H 7.088 . . 459 . 42 ASN HD22 H 6.891 . . 460 . 43 ILE N N 124.502 . . 461 . 43 ILE H H 9.478 . . 462 . 43 ILE CA C 61.314 . . 463 . 43 ILE HA H 4.647 . . 464 . 43 ILE CB C 78.961 . . 465 . 43 ILE HB H 1.488 . . 466 . 43 ILE CG1 C 67.269 . . 467 . 43 ILE HG12 H 0.554 . . 468 . 43 ILE HG13 H 1.337 . . 469 . 43 ILE CD1 C 54.026 . . 470 . 43 ILE HD1 H 0.365 . . 471 . 43 ILE CG2 C 57.024 . . 472 . 43 ILE HG2 H 0.850 . . 473 . 44 GLN N N 125.314 . . 474 . 44 GLN H H 8.900 . . 475 . 44 GLN CA C 53.401 . . 476 . 44 GLN HA H 5.517 . . 477 . 44 GLN CB C 72.936 . . 478 . 44 GLN HB2 H 0.850 . . 479 . 44 GLN HB3 H 1.924 . . 480 . 44 GLN CG C 74.166 . . 481 . 44 GLN HG2 H 2.202 . . 482 . 44 GLN HG3 H 2.202 . . 483 . 44 GLN NE2 N 106.658 . . 484 . 44 GLN HE21 H 6.990 . . 485 . 44 GLN HE22 H 6.453 . . 486 . 45 TYR N N 115.542 . . 487 . 45 TYR H H 8.685 . . 488 . 45 TYR CA C 55.164 . . 489 . 45 TYR HA H 6.166 . . 490 . 45 TYR CB C 83.595 . . 491 . 45 TYR HB2 H 2.026 . . 492 . 45 TYR HB3 H 2.808 . . 493 . 45 TYR CD1 C 52.589 . . 494 . 45 TYR HD1 H 6.676 . . 495 . 45 TYR CE1 C 78.094 . . 496 . 45 TYR HE1 H 6.609 . . 497 . 45 TYR CE2 C 78.094 . . 498 . 45 TYR HE2 H 6.609 . . 499 . 45 TYR CD2 C 52.589 . . 500 . 45 TYR HD2 H 6.676 . . 501 . 46 ARG N N 114.342 . . 502 . 46 ARG H H 8.768 . . 503 . 46 ARG CA C 54.298 . . 504 . 46 ARG HA H 4.677 . . 505 . 46 ARG CB C 72.263 . . 506 . 46 ARG HB3 H 1.272 . . 507 . 46 ARG HB2 H 1.506 . . 508 . 46 ARG CG C 64.436 . . 509 . 46 ARG HG2 H 1.369 . . 510 . 46 ARG HG3 H 1.369 . . 511 . 46 ARG CD C 81.489 . . 512 . 46 ARG HD2 H 2.080 . . 513 . 46 ARG HD3 H 2.080 . . 514 . 47 THR N N 111.939 . . 515 . 47 THR H H 8.311 . . 516 . 47 THR CA C 61.915 . . 517 . 47 THR HA H 4.328 . . 518 . 47 THR CB C 69.194 . . 519 . 47 THR HB H 4.274 . . 520 . 47 THR CG2 C 62.879 . . 521 . 47 THR HG2 H 0.863 . . 522 . 48 LYS N N 120.299 . . 523 . 48 LYS H H 8.019 . . 524 . 48 LYS CA C 58.906 . . 525 . 48 LYS HA H 3.565 . . 526 . 48 LYS CB C 72.569 . . 527 . 48 LYS HB2 H 1.435 . . 528 . 48 LYS HB3 H 1.676 . . 529 . 48 LYS CG C 64.221 . . 530 . 48 LYS HG3 H 1.267 . . 531 . 48 LYS HG2 H 1.267 . . 532 . 48 LYS CD C 68.911 . . 533 . 48 LYS HD2 H 1.549 . . 534 . 48 LYS HD3 H 1.549 . . 535 . 48 LYS CE C 81.718 . . 536 . 48 LYS HE2 H 2.846 . . 537 . 48 LYS HE3 H 2.846 . . 538 . 49 ASP N N 112.387 . . 539 . 49 ASP H H 8.001 . . 540 . 49 ASP CA C 53.598 . . 541 . 49 ASP HA H 4.377 . . 542 . 49 ASP CB C 80.350 . . 543 . 49 ASP HB3 H 2.570 . . 544 . 49 ASP HB2 H 2.570 . . 545 . 50 ALA N N 123.930 . . 546 . 50 ALA H H 7.286 . . 547 . 50 ALA CA C 51.786 . . 548 . 50 ALA HA H 4.278 . . 549 . 50 ALA CB C 60.754 . . 550 . 50 ALA HB H 1.388 . . 551 . 51 SER CA C 58.137 . . 552 . 51 SER HA H 4.251 . . 553 . 51 SER CB C 64.121 . . 554 . 51 SER HB2 H 3.738 . . 555 . 51 SER HB3 H 3.849 . . 556 . 52 THR N N 113.180 . . 557 . 52 THR H H 7.084 . . 558 . 52 THR CA C 59.989 . . 559 . 52 THR HA H 4.371 . . 560 . 52 THR CB C 70.836 . . 561 . 52 THR HB H 4.024 . . 562 . 52 THR CG2 C 61.291 . . 563 . 52 THR HG2 H 1.099 . . 564 . 53 TRP N N 123.104 . . 565 . 53 TRP H H 8.484 . . 566 . 53 TRP CA C 57.483 . . 567 . 53 TRP HA H 4.151 . . 568 . 53 TRP CB C 70.422 . . 569 . 53 TRP HB2 H 2.627 . . 570 . 53 TRP HB3 H 2.824 . . 571 . 53 TRP CD1 C 88.516 . . 572 . 53 TRP HD1 H 7.029 . . 573 . 53 TRP NE1 N 129.249 . . 574 . 53 TRP HE1 H 9.943 . . 575 . 53 TRP CZ2 C 73.750 . . 576 . 53 TRP HZ2 H 7.311 . . 577 . 53 TRP CH2 C 83.056 . . 578 . 53 TRP HH2 H 6.677 . . 579 . 53 TRP CZ3 C 81.989 . . 580 . 53 TRP HZ3 H 6.729 . . 581 . 53 TRP CE3 C 80.048 . . 582 . 53 TRP HE3 H 7.031 . . 583 . 54 SER N N 119.972 . . 584 . 54 SER H H 9.243 . . 585 . 54 SER CA C 58.220 . . 586 . 54 SER HA H 4.571 . . 587 . 54 SER CB C 63.267 . . 588 . 54 SER HB2 H 2.525 . . 589 . 54 SER HB3 H 3.406 . . 590 . 55 GLN N N 120.695 . . 591 . 55 GLN H H 8.757 . . 592 . 55 GLN CA C 54.764 . . 593 . 55 GLN HA H 5.155 . . 594 . 55 GLN CB C 72.791 . . 595 . 55 GLN HB2 H 1.929 . . 596 . 55 GLN HB3 H 2.081 . . 597 . 55 GLN CG C 74.031 . . 598 . 55 GLN HG3 H 2.093 . . 599 . 55 GLN HG2 H 2.574 . . 600 . 55 GLN NE2 N 111.075 . . 601 . 55 GLN HE21 H 7.467 . . 602 . 55 GLN HE22 H 6.783 . . 603 . 56 ILE N N 130.145 . . 604 . 56 ILE H H 8.497 . . 605 . 56 ILE CA C 57.395 . . 606 . 56 ILE HA H 4.594 . . 607 . 56 ILE CB C 77.344 . . 608 . 56 ILE HB H 2.191 . . 609 . 56 ILE CG1 C 67.180 . . 610 . 56 ILE HG12 H 1.328 . . 611 . 56 ILE HG13 H 1.629 . . 612 . 56 ILE CD1 C 51.401 . . 613 . 56 ILE HD1 H 1.026 . . 614 . 56 ILE CG2 C 56.656 . . 615 . 56 ILE HG2 H 0.934 . . 616 . 57 PRO CA C 62.168 . . 617 . 57 PRO HA H 4.662 . . 618 . 57 PRO CB C 71.587 . . 619 . 57 PRO HB2 H 2.098 . . 620 . 57 PRO HB3 H 2.458 . . 621 . 57 PRO CG C 67.911 . . 622 . 57 PRO HG2 H 2.098 . . 623 . 57 PRO HG3 H 2.345 . . 624 . 57 PRO CD C 51.310 . . 625 . 57 PRO HD2 H 3.891 . . 626 . 57 PRO HD3 H 4.103 . . 627 . 58 PRO CA C 64.781 . . 628 . 58 PRO HA H 4.454 . . 629 . 58 PRO CB C 71.934 . . 630 . 58 PRO HB2 H 2.073 . . 631 . 58 PRO HB3 H 2.406 . . 632 . 58 PRO CG C 67.492 . . 633 . 58 PRO HG2 H 1.959 . . 634 . 58 PRO HG3 H 2.177 . . 635 . 58 PRO CD C 51.736 . . 636 . 58 PRO HD2 H 3.890 . . 637 . 58 PRO HD3 H 4.088 . . 638 . 59 GLU N N 117.541 . . 639 . 59 GLU H H 9.716 . . 640 . 59 GLU CA C 58.895 . . 641 . 59 GLU HA H 4.238 . . 642 . 59 GLU CB C 68.118 . . 643 . 59 GLU HB3 H 2.102 . . 644 . 59 GLU HB2 H 2.102 . . 645 . 59 GLU CG C 75.884 . . 646 . 59 GLU HG2 H 2.394 . . 647 . 59 GLU HG3 H 2.394 . . 648 . 60 ASP N N 119.812 . . 649 . 60 ASP H H 8.298 . . 650 . 60 ASP CA C 55.558 . . 651 . 60 ASP HA H 4.925 . . 652 . 60 ASP CB C 81.484 . . 653 . 60 ASP HB3 H 3.037 . . 654 . 60 ASP HB2 H 3.037 . . 655 . 61 THR N N 110.050 . . 656 . 61 THR H H 7.747 . . 657 . 61 THR CA C 58.734 . . 658 . 61 THR HA H 4.884 . . 659 . 61 THR CB C 68.886 . . 660 . 61 THR HB H 4.448 . . 661 . 61 THR CG2 C 61.105 . . 662 . 61 THR HG2 H 0.547 . . 663 . 62 ALA N N 125.504 . . 664 . 62 ALA H H 8.248 . . 665 . 62 ALA CA C 52.596 . . 666 . 62 ALA HA H 4.920 . . 667 . 62 ALA CB C 59.013 . . 668 . 62 ALA HB H 1.604 . . 669 . 63 SER N N 110.365 . . 670 . 63 SER H H 7.642 . . 671 . 63 SER CA C 58.625 . . 672 . 63 SER HA H 4.862 . . 673 . 63 SER CB C 64.776 . . 674 . 63 SER HB2 H 3.940 . . 675 . 63 SER HB3 H 4.048 . . 676 . 64 THR N N 115.550 . . 677 . 64 THR H H 7.167 . . 678 . 64 THR CA C 64.628 . . 679 . 64 THR HA H 4.612 . . 680 . 64 THR CB C 69.950 . . 681 . 64 THR HB H 4.139 . . 682 . 64 THR CG2 C 62.587 . . 683 . 64 THR HG2 H 1.383 . . 684 . 65 ARG N N 123.106 . . 685 . 65 ARG H H 9.026 . . 686 . 65 ARG CA C 55.428 . . 687 . 65 ARG HA H 4.779 . . 688 . 65 ARG CB C 71.861 . . 689 . 65 ARG HB3 H 2.110 . . 690 . 65 ARG HB2 H 2.451 . . 691 . 65 ARG CG C 65.019 . . 692 . 65 ARG HG3 H 1.748 . . 693 . 65 ARG HG2 H 2.096 . . 694 . 65 ARG CD C 83.958 . . 695 . 65 ARG HD3 H 3.493 . . 696 . 65 ARG HD2 H 3.651 . . 697 . 66 SER CA C 56.525 . . 698 . 66 SER HA H 3.186 . . 699 . 66 SER CB C 63.958 . . 700 . 66 SER HB2 H 3.543 . . 701 . 66 SER HB3 H 3.718 . . 702 . 67 SER N N 111.416 . . 703 . 67 SER H H 6.586 . . 704 . 67 SER CA C 56.396 . . 705 . 67 SER HA H 4.771 . . 706 . 67 SER CB C 66.120 . . 707 . 67 SER HB3 H 3.592 . . 708 . 67 SER HB2 H 3.592 . . 709 . 68 PHE N N 120.532 . . 710 . 68 PHE H H 8.906 . . 711 . 68 PHE CA C 59.764 . . 712 . 68 PHE HA H 4.429 . . 713 . 68 PHE CB C 83.863 . . 714 . 68 PHE HB2 H 2.735 . . 715 . 68 PHE HB3 H 3.261 . . 716 . 68 PHE CD1 C 51.176 . . 717 . 68 PHE HD1 H 7.019 . . 718 . 68 PHE CE1 C 52.518 . . 719 . 68 PHE HE1 H 7.401 . . 720 . 68 PHE CZ C 50.820 . . 721 . 68 PHE HZ H 7.452 . . 722 . 68 PHE CE2 C 52.518 . . 723 . 68 PHE HE2 H 7.401 . . 724 . 68 PHE CD2 C 51.176 . . 725 . 68 PHE HD2 H 7.019 . . 726 . 69 THR N N 125.252 . . 727 . 69 THR H H 7.879 . . 728 . 69 THR CA C 62.804 . . 729 . 69 THR HA H 4.477 . . 730 . 69 THR CB C 68.842 . . 731 . 69 THR HB H 3.691 . . 732 . 69 THR CG2 C 62.160 . . 733 . 69 THR HG2 H 0.887 . . 734 . 70 VAL N N 129.748 . . 735 . 70 VAL H H 9.017 . . 736 . 70 VAL CA C 62.508 . . 737 . 70 VAL HA H 4.010 . . 738 . 70 VAL CB C 71.923 . . 739 . 70 VAL HB H 1.910 . . 740 . 70 VAL CG2 C 62.023 . . 741 . 70 VAL HG2 H 0.688 . . 742 . 70 VAL CG1 C 61.665 . . 743 . 70 VAL HG1 H 0.982 . . 744 . 71 GLN N N 122.652 . . 745 . 71 GLN H H 8.240 . . 746 . 71 GLN CA C 54.139 . . 747 . 71 GLN HA H 4.859 . . 748 . 71 GLN CB C 71.688 . . 749 . 71 GLN HB2 H 1.873 . . 750 . 71 GLN HB3 H 2.067 . . 751 . 71 GLN CG C 73.795 . . 752 . 71 GLN HG3 H 2.089 . . 753 . 71 GLN HG2 H 2.193 . . 754 . 71 GLN NE2 N 111.714 . . 755 . 71 GLN HE21 H 7.443 . . 756 . 71 GLN HE22 H 6.759 . . 757 . 72 ASP N N 113.438 . . 758 . 72 ASP H H 8.609 . . 759 . 72 ASP CA C 55.607 . . 760 . 72 ASP HA H 4.287 . . 761 . 72 ASP CB C 78.985 . . 762 . 72 ASP HB2 H 2.716 . . 763 . 72 ASP HB3 H 2.984 . . 764 . 73 LEU N N 118.251 . . 765 . 73 LEU H H 8.705 . . 766 . 73 LEU CA C 53.559 . . 767 . 73 LEU HA H 4.336 . . 768 . 73 LEU CB C 81.210 . . 769 . 73 LEU HB2 H 1.148 . . 770 . 73 LEU HB3 H 1.237 . . 771 . 73 LEU CG C 65.413 . . 772 . 73 LEU HG H 1.096 . . 773 . 73 LEU CD1 C 65.283 . . 774 . 73 LEU HD1 H 0.047 . . 775 . 73 LEU CD2 C 59.539 . . 776 . 73 LEU HD2 H -0.030 . . 777 . 74 LYS N N 120.587 . . 778 . 74 LYS H H 8.417 . . 779 . 74 LYS CA C 54.023 . . 780 . 74 LYS HA H 4.560 . . 781 . 74 LYS CB C 72.779 . . 782 . 74 LYS HB3 H 1.876 . . 783 . 74 LYS HB2 H 1.876 . . 784 . 74 LYS CG C 64.626 . . 785 . 74 LYS HG2 H 1.573 . . 786 . 74 LYS HG3 H 1.643 . . 787 . 74 LYS CD C 68.731 . . 788 . 74 LYS HD2 H 1.720 . . 789 . 74 LYS HD3 H 1.720 . . 790 . 74 LYS CE C 81.621 . . 791 . 74 LYS HE2 H 3.035 . . 792 . 74 LYS HE3 H 3.035 . . 793 . 75 PRO CA C 62.932 . . 794 . 75 PRO HA H 4.838 . . 795 . 75 PRO CB C 73.269 . . 796 . 75 PRO HB2 H 1.917 . . 797 . 75 PRO HB3 H 2.346 . . 798 . 75 PRO CG C 67.278 . . 799 . 75 PRO HG2 H 2.014 . . 800 . 75 PRO HG3 H 2.052 . . 801 . 75 PRO CD C 51.014 . . 802 . 75 PRO HD2 H 3.634 . . 803 . 75 PRO HD3 H 3.927 . . 804 . 76 PHE N N 127.705 . . 805 . 76 PHE H H 7.951 . . 806 . 76 PHE CA C 56.901 . . 807 . 76 PHE HA H 4.472 . . 808 . 76 PHE CB C 78.598 . . 809 . 76 PHE HB2 H 2.680 . . 810 . 76 PHE HB3 H 3.454 . . 811 . 76 PHE CD1 C 51.435 . . 812 . 76 PHE HD1 H 7.259 . . 813 . 76 PHE CE1 C 51.495 . . 814 . 76 PHE HE1 H 7.332 . . 815 . 76 PHE CE2 C 51.495 . . 816 . 76 PHE HE2 H 7.332 . . 817 . 76 PHE CD2 C 51.435 . . 818 . 76 PHE HD2 H 7.259 . . 819 . 77 THR N N 116.052 . . 820 . 77 THR H H 8.585 . . 821 . 77 THR CA C 62.687 . . 822 . 77 THR HA H 4.343 . . 823 . 77 THR CB C 72.120 . . 824 . 77 THR HB H 3.848 . . 825 . 77 THR CG2 C 60.283 . . 826 . 77 THR HG2 H 0.672 . . 827 . 78 GLU N N 126.730 . . 828 . 78 GLU H H 8.431 . . 829 . 78 GLU CA C 55.575 . . 830 . 78 GLU HA H 4.841 . . 831 . 78 GLU CB C 70.604 . . 832 . 78 GLU HB2 H 1.733 . . 833 . 78 GLU HB3 H 1.901 . . 834 . 78 GLU CG C 76.122 . . 835 . 78 GLU HG2 H 1.928 . . 836 . 78 GLU HG3 H 2.196 . . 837 . 79 TYR N N 125.311 . . 838 . 79 TYR H H 9.177 . . 839 . 79 TYR CA C 57.679 . . 840 . 79 TYR HA H 4.929 . . 841 . 79 TYR CB C 84.777 . . 842 . 79 TYR HB3 H 2.461 . . 843 . 79 TYR HB2 H 2.461 . . 844 . 79 TYR CD1 C 53.196 . . 845 . 79 TYR HD1 H 6.880 . . 846 . 79 TYR CE1 C 78.958 . . 847 . 79 TYR HE1 H 6.885 . . 848 . 79 TYR CE2 C 78.958 . . 849 . 79 TYR HE2 H 6.885 . . 850 . 79 TYR CD2 C 53.196 . . 851 . 79 TYR HD2 H 6.880 . . 852 . 80 VAL N N 119.188 . . 853 . 80 VAL H H 9.000 . . 854 . 80 VAL CA C 60.450 . . 855 . 80 VAL HA H 4.816 . . 856 . 80 VAL CB C 74.252 . . 857 . 80 VAL HB H 1.514 . . 858 . 80 VAL CG2 C 60.762 . . 859 . 80 VAL HG2 H 0.721 . . 860 . 80 VAL CG1 C 62.226 . . 861 . 80 VAL HG1 H 1.018 . . 862 . 81 PHE N N 120.865 . . 863 . 81 PHE H H 9.335 . . 864 . 81 PHE CA C 56.947 . . 865 . 81 PHE HA H 5.843 . . 866 . 81 PHE CB C 85.297 . . 867 . 81 PHE HB2 H 2.768 . . 868 . 81 PHE HB3 H 2.937 . . 869 . 81 PHE CD1 C 53.180 . . 870 . 81 PHE HD1 H 7.235 . . 871 . 81 PHE CE1 C 51.321 . . 872 . 81 PHE HE1 H 6.937 . . 873 . 81 PHE CZ C 87.866 . . 874 . 81 PHE HZ H 6.619 . . 875 . 81 PHE CE2 C 51.321 . . 876 . 81 PHE HE2 H 6.937 . . 877 . 81 PHE CD2 C 53.180 . . 878 . 81 PHE HD2 H 7.235 . . 879 . 82 ARG N N 112.084 . . 880 . 82 ARG H H 8.678 . . 881 . 82 ARG CA C 55.708 . . 882 . 82 ARG HA H 4.463 . . 883 . 82 ARG CB C 72.623 . . 884 . 82 ARG HB2 H 1.527 . . 885 . 82 ARG HB3 H 1.527 . . 886 . 82 ARG CG C 63.941 . . 887 . 82 ARG HG3 H 0.943 . . 888 . 82 ARG HG2 H 1.047 . . 889 . 82 ARG CD C 81.772 . . 890 . 82 ARG HD3 H 2.668 . . 891 . 82 ARG HD2 H 2.777 . . 892 . 83 ILE N N 117.631 . . 893 . 83 ILE H H 8.910 . . 894 . 83 ILE CA C 59.388 . . 895 . 83 ILE HA H 5.722 . . 896 . 83 ILE CB C 83.177 . . 897 . 83 ILE HB H 1.222 . . 898 . 83 ILE CG1 C 68.118 . . 899 . 83 ILE HG12 H 0.643 . . 900 . 83 ILE HG13 H 1.410 . . 901 . 83 ILE CD1 C 52.871 . . 902 . 83 ILE HD1 H -0.808 . . 903 . 83 ILE CG2 C 55.544 . . 904 . 83 ILE HG2 H 0.544 . . 905 . 84 ARG N N 121.965 . . 906 . 84 ARG H H 8.457 . . 907 . 84 ARG CA C 54.165 . . 908 . 84 ARG HA H 4.698 . . 909 . 84 ARG CB C 72.626 . . 910 . 84 ARG HB2 H 1.609 . . 911 . 84 ARG HB3 H 1.609 . . 912 . 85 CYS N N 114.998 . . 913 . 85 CYS H H 9.243 . . 914 . 85 CYS CA C 55.115 . . 915 . 85 CYS HA H 6.207 . . 916 . 85 CYS CB C 73.920 . . 917 . 85 CYS HB2 H 2.598 . . 918 . 85 CYS HB3 H 2.598 . . 919 . 86 MET N N 118.334 . . 920 . 86 MET H H 8.363 . . 921 . 86 MET CA C 54.230 . . 922 . 86 MET HA H 4.225 . . 923 . 86 MET CB C 75.809 . . 924 . 86 MET HB2 H 0.561 . . 925 . 86 MET HB3 H 0.677 . . 926 . 86 MET CG C 68.897 . . 927 . 86 MET HG3 H 1.012 . . 928 . 86 MET HG2 H 1.333 . . 929 . 86 MET CE C 56.195 . . 930 . 86 MET HE H 1.127 . . 931 . 87 LYS N N 121.822 . . 932 . 87 LYS H H 8.861 . . 933 . 87 LYS CA C 56.742 . . 934 . 87 LYS HA H 4.283 . . 935 . 87 LYS CB C 73.160 . . 936 . 87 LYS HB3 H 1.597 . . 937 . 87 LYS HB2 H 1.597 . . 938 . 87 LYS CG C 65.215 . . 939 . 87 LYS HG2 H 1.291 . . 940 . 87 LYS HG3 H 1.350 . . 941 . 87 LYS CD C 69.324 . . 942 . 87 LYS HD2 H 1.695 . . 943 . 87 LYS HD3 H 1.695 . . 944 . 87 LYS CE C 81.207 . . 945 . 87 LYS HE2 H 2.897 . . 946 . 87 LYS HE3 H 2.897 . . 947 . 88 GLU N N 124.153 . . 948 . 88 GLU H H 8.564 . . 949 . 88 GLU CA C 56.980 . . 950 . 88 GLU HA H 4.035 . . 951 . 88 GLU CB C 68.620 . . 952 . 88 GLU HB2 H 1.676 . . 953 . 88 GLU HB3 H 2.021 . . 954 . 88 GLU CG C 75.715 . . 955 . 88 GLU HG2 H 2.165 . . 956 . 88 GLU HG3 H 2.165 . . 957 . 89 ASP N N 119.627 . . 958 . 89 ASP H H 7.939 . . 959 . 89 ASP CA C 52.973 . . 960 . 89 ASP HA H 4.492 . . 961 . 89 ASP CB C 80.379 . . 962 . 89 ASP HB2 H 2.430 . . 963 . 89 ASP HB3 H 2.947 . . 964 . 90 GLY N N 108.085 . . 965 . 90 GLY H H 8.161 . . 966 . 90 GLY CA C 85.188 . . 967 . 90 GLY HA2 H 3.666 . . 968 . 90 GLY HA3 H 4.028 . . 969 . 91 LYS N N 120.483 . . 970 . 91 LYS H H 8.193 . . 971 . 91 LYS CA C 56.300 . . 972 . 91 LYS HA H 4.135 . . 973 . 91 LYS CB C 71.541 . . 974 . 91 LYS HB2 H 1.447 . . 975 . 91 LYS HB3 H 1.692 . . 976 . 91 LYS CG C 64.841 . . 977 . 91 LYS HG2 H 1.170 . . 978 . 91 LYS HG3 H 1.238 . . 979 . 91 LYS CD C 68.292 . . 980 . 91 LYS HD2 H 1.563 . . 981 . 91 LYS HD3 H 1.563 . . 982 . 91 LYS CE C 81.728 . . 983 . 91 LYS HE2 H 2.911 . . 984 . 91 LYS HE3 H 2.911 . . 985 . 92 GLY N N 108.160 . . 986 . 92 GLY H H 8.215 . . 987 . 92 GLY CA C 85.492 . . 988 . 92 GLY HA2 H 3.642 . . 989 . 92 GLY HA3 H 3.780 . . 990 . 93 TYR N N 119.041 . . 991 . 93 TYR H H 8.027 . . 992 . 93 TYR CA C 55.841 . . 993 . 93 TYR HA H 4.715 . . 994 . 93 TYR CB C 79.161 . . 995 . 93 TYR HB2 H 2.644 . . 996 . 93 TYR HB3 H 3.026 . . 997 . 93 TYR CD1 C 52.894 . . 998 . 93 TYR HD1 H 7.030 . . 999 . 93 TYR CE1 C 78.257 . . 1000 . 93 TYR HE1 H 6.783 . . 1001 . 93 TYR CE2 C 78.257 . . 1002 . 93 TYR HE2 H 6.783 . . 1003 . 93 TYR CD2 C 52.894 . . 1004 . 93 TYR HD2 H 7.030 . . 1005 . 94 TRP N N 122.677 . . 1006 . 94 TRP H H 8.240 . . 1007 . 94 TRP CA C 57.880 . . 1008 . 94 TRP HA H 4.319 . . 1009 . 94 TRP CB C 70.593 . . 1010 . 94 TRP HB2 H 2.775 . . 1011 . 94 TRP HB3 H 3.028 . . 1012 . 94 TRP HD1 H 7.154 . . 1013 . 94 TRP NE1 N 129.729 . . 1014 . 94 TRP HE1 H 9.898 . . 1015 . 94 TRP CZ2 C 75.089 . . 1016 . 94 TRP HZ2 H 7.290 . . 1017 . 94 TRP CH2 C 83.192 . . 1018 . 94 TRP HH2 H 6.535 . . 1019 . 94 TRP CZ3 C 81.111 . . 1020 . 94 TRP HZ3 H 6.440 . . 1021 . 94 TRP CE3 C 79.288 . . 1022 . 94 TRP HE3 H 6.825 . . 1023 . 95 SER N N 115.540 . . 1024 . 95 SER H H 9.413 . . 1025 . 95 SER CA C 58.346 . . 1026 . 95 SER HA H 4.304 . . 1027 . 95 SER CB C 66.924 . . 1028 . 95 SER HB2 H 3.784 . . 1029 . 95 SER HB3 H 4.036 . . 1030 . 96 ASP N N 118.883 . . 1031 . 96 ASP H H 9.136 . . 1032 . 96 ASP CA C 54.752 . . 1033 . 96 ASP HA H 4.438 . . 1034 . 96 ASP CB C 80.745 . . 1035 . 96 ASP HB2 H 2.429 . . 1036 . 96 ASP HB3 H 2.948 . . 1037 . 97 TRP N N 119.510 . . 1038 . 97 TRP H H 8.224 . . 1039 . 97 TRP CA C 58.394 . . 1040 . 97 TRP HA H 4.345 . . 1041 . 97 TRP CB C 70.296 . . 1042 . 97 TRP HB2 H 2.947 . . 1043 . 97 TRP HB3 H 3.195 . . 1044 . 97 TRP CD1 C 87.926 . . 1045 . 97 TRP HD1 H 7.173 . . 1046 . 97 TRP NE1 N 128.484 . . 1047 . 97 TRP HE1 H 9.856 . . 1048 . 97 TRP CZ2 C 74.509 . . 1049 . 97 TRP HZ2 H 6.892 . . 1050 . 97 TRP CH2 C 83.368 . . 1051 . 97 TRP HH2 H 6.475 . . 1052 . 97 TRP CZ3 C 81.820 . . 1053 . 97 TRP HZ3 H 6.683 . . 1054 . 97 TRP CE3 C 78.932 . . 1055 . 97 TRP HE3 H 6.902 . . 1056 . 98 SER N N 115.394 . . 1057 . 98 SER H H 9.043 . . 1058 . 98 SER CA C 58.401 . . 1059 . 98 SER HA H 4.407 . . 1060 . 98 SER CB C 65.904 . . 1061 . 98 SER HB2 H 4.088 . . 1062 . 98 SER HB3 H 4.399 . . 1063 . 99 GLU N N 117.250 . . 1064 . 99 GLU H H 8.519 . . 1065 . 99 GLU CA C 57.181 . . 1066 . 99 GLU HA H 4.338 . . 1067 . 99 GLU CB C 69.652 . . 1068 . 99 GLU HB2 H 2.110 . . 1069 . 99 GLU HB3 H 2.279 . . 1070 . 99 GLU CG C 76.470 . . 1071 . 99 GLU HG2 H 2.512 . . 1072 . 99 GLU HG3 H 2.512 . . 1073 . 100 GLU N N 121.972 . . 1074 . 100 GLU H H 8.504 . . 1075 . 100 GLU CA C 55.829 . . 1076 . 100 GLU HA H 4.971 . . 1077 . 100 GLU CB C 70.689 . . 1078 . 100 GLU HB3 H 1.950 . . 1079 . 100 GLU HB2 H 1.950 . . 1080 . 100 GLU CG C 77.009 . . 1081 . 100 GLU HG2 H 2.187 . . 1082 . 100 GLU HG3 H 2.502 . . 1083 . 101 ALA N N 124.394 . . 1084 . 101 ALA H H 8.816 . . 1085 . 101 ALA CA C 51.138 . . 1086 . 101 ALA HA H 4.978 . . 1087 . 101 ALA CB C 64.031 . . 1088 . 101 ALA HB H 1.362 . . 1089 . 102 SER N N 114.792 . . 1090 . 102 SER H H 8.834 . . 1091 . 102 SER CA C 56.679 . . 1092 . 102 SER HA H 6.191 . . 1093 . 102 SER CB C 67.467 . . 1094 . 102 SER HB2 H 3.865 . . 1095 . 102 SER HB3 H 3.990 . . 1096 . 103 GLY N N 107.379 . . 1097 . 103 GLY H H 8.972 . . 1098 . 103 GLY CA C 85.101 . . 1099 . 103 GLY HA2 H 3.754 . . 1100 . 103 GLY HA3 H 4.495 . . 1101 . 104 ILE N N 119.298 . . 1102 . 104 ILE H H 8.596 . . 1103 . 104 ILE CA C 59.734 . . 1104 . 104 ILE HA H 5.199 . . 1105 . 104 ILE CB C 80.980 . . 1106 . 104 ILE HB H 1.596 . . 1107 . 104 ILE CG1 C 67.844 . . 1108 . 104 ILE HG12 H 0.837 . . 1109 . 104 ILE HG13 H 1.475 . . 1110 . 104 ILE CD1 C 53.696 . . 1111 . 104 ILE HD1 H 0.708 . . 1112 . 104 ILE CG2 C 56.253 . . 1113 . 104 ILE HG2 H 0.782 . . 1114 . 105 THR N N 116.618 . . 1115 . 105 THR H H 8.720 . . 1116 . 105 THR CA C 61.302 . . 1117 . 105 THR HA H 4.134 . . 1118 . 105 THR CB C 69.682 . . 1119 . 105 THR HB H 4.917 . . 1120 . 105 THR CG2 C 64.490 . . 1121 . 105 THR HG2 H 1.201 . . 1122 . 106 TYR N N 119.537 . . 1123 . 106 TYR H H 7.999 . . 1124 . 106 TYR CA C 58.234 . . 1125 . 106 TYR HA H 4.421 . . 1126 . 106 TYR CB C 79.320 . . 1127 . 106 TYR HB2 H 2.865 . . 1128 . 106 TYR HB3 H 3.047 . . 1129 . 106 TYR CD1 C 53.376 . . 1130 . 106 TYR HD1 H 7.217 . . 1131 . 106 TYR CE1 C 78.599 . . 1132 . 106 TYR HE1 H 6.887 . . 1133 . 106 TYR CE2 C 78.599 . . 1134 . 106 TYR HE2 H 6.887 . . 1135 . 106 TYR CD2 C 53.376 . . 1136 . 106 TYR HD2 H 7.217 . . 1137 . 107 GLU N N 119.282 . . 1138 . 107 GLU H H 7.550 . . 1139 . 107 GLU CA C 56.336 . . 1140 . 107 GLU HA H 4.167 . . 1141 . 107 GLU CB C 70.758 . . 1142 . 107 GLU HB2 H 1.634 . . 1143 . 107 GLU HB3 H 1.757 . . 1144 . 107 GLU CG C 75.810 . . 1145 . 107 GLU HG2 H 1.885 . . 1146 . 107 GLU HG3 H 1.885 . . 1147 . 108 ASP N N 122.219 . . 1148 . 108 ASP H H 8.541 . . 1149 . 108 ASP CA C 54.429 . . 1150 . 108 ASP HA H 4.677 . . 1151 . 108 ASP CB C 80.940 . . 1152 . 108 ASP HB2 H 2.541 . . 1153 . 108 ASP HB3 H 2.737 . . 1154 . 109 ARG N N 127.025 . . 1155 . 109 ARG H H 7.927 . . 1156 . 109 ARG CA C 57.307 . . 1157 . 109 ARG HA H 4.183 . . 1158 . 109 ARG CB C 71.511 . . 1159 . 109 ARG HB3 H 1.713 . . 1160 . 109 ARG HB2 H 1.834 . . 1161 . 109 ARG CG C 66.695 . . 1162 . 109 ARG HG2 H 1.572 . . 1163 . 109 ARG HG3 H 1.572 . . 1164 . 109 ARG CD C 83.147 . . 1165 . 109 ARG HD2 H 3.144 . . 1166 . 109 ARG HD3 H 3.144 . . stop_ save_