data_7020 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for a Subunit of RNA Polymerase II ; _BMRB_accession_number 7020 _BMRB_flat_file_name bmr7020.str _Entry_type original _Submission_date 2006-03-15 _Accession_date 2006-03-15 _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 Kang Xue . . 2 Xia Bin . . 3 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 647 "13C chemical shifts" 514 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-09-22 original author . stop_ _Original_release_date 2006-09-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural, biochemical, and dynamic characterizations of the hRPB8 subunit of human RNA polymerases ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16632472 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Xue . . 2 Hu Y. . . 3 Li Y. . . 4 Guo X. . . 5 Jiang X. . . 6 Lai L. . . 7 Xia Bin . . 8 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18216 _Page_last 18226 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA Polymerase II subunit' _Enzyme_commission_number 0 loop_ _Mol_system_component_name _Mol_label 'RNA Polymerase II subunit' $polymerase stop_ _System_molecular_weight 17100 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_polymerase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hRPB8 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MAGILFEDIFDVKDIDPEGK KFDRVSRLHCESESFKMDLI LDVNIQIYPVDLGDKFRLVI ASTLYEDGTLDDGEYNPTDD RPSRADQFEYVMYGKVYRIE GDETSTEAATRLSAYVSYGG LLMRLQGDANNLHGFEVDSR VYLLMKKLAF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 ILE 5 LEU 6 PHE 7 GLU 8 ASP 9 ILE 10 PHE 11 ASP 12 VAL 13 LYS 14 ASP 15 ILE 16 ASP 17 PRO 18 GLU 19 GLY 20 LYS 21 LYS 22 PHE 23 ASP 24 ARG 25 VAL 26 SER 27 ARG 28 LEU 29 HIS 30 CYS 31 GLU 32 SER 33 GLU 34 SER 35 PHE 36 LYS 37 MET 38 ASP 39 LEU 40 ILE 41 LEU 42 ASP 43 VAL 44 ASN 45 ILE 46 GLN 47 ILE 48 TYR 49 PRO 50 VAL 51 ASP 52 LEU 53 GLY 54 ASP 55 LYS 56 PHE 57 ARG 58 LEU 59 VAL 60 ILE 61 ALA 62 SER 63 THR 64 LEU 65 TYR 66 GLU 67 ASP 68 GLY 69 THR 70 LEU 71 ASP 72 ASP 73 GLY 74 GLU 75 TYR 76 ASN 77 PRO 78 THR 79 ASP 80 ASP 81 ARG 82 PRO 83 SER 84 ARG 85 ALA 86 ASP 87 GLN 88 PHE 89 GLU 90 TYR 91 VAL 92 MET 93 TYR 94 GLY 95 LYS 96 VAL 97 TYR 98 ARG 99 ILE 100 GLU 101 GLY 102 ASP 103 GLU 104 THR 105 SER 106 THR 107 GLU 108 ALA 109 ALA 110 THR 111 ARG 112 LEU 113 SER 114 ALA 115 TYR 116 VAL 117 SER 118 TYR 119 GLY 120 GLY 121 LEU 122 LEU 123 MET 124 ARG 125 LEU 126 GLN 127 GLY 128 ASP 129 ALA 130 ASN 131 ASN 132 LEU 133 HIS 134 GLY 135 PHE 136 GLU 137 VAL 138 ASP 139 SER 140 ARG 141 VAL 142 TYR 143 LEU 144 LEU 145 MET 146 LYS 147 LYS 148 LEU 149 ALA 150 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2F3I "Solution Structure Of A Subunit Of Rna Polymerase Ii" 100.00 150 100.00 100.00 1.69e-103 DBJ BAE27163 "unnamed protein product [Mus musculus]" 100.00 150 100.00 100.00 1.69e-103 DBJ BAE36495 "unnamed protein product [Mus musculus]" 100.00 150 100.00 100.00 1.69e-103 DBJ BAE88588 "unnamed protein product [Macaca fascicularis]" 100.00 150 100.00 100.00 1.69e-103 DBJ BAG73557 "polymerase (RNA) II (DNA directed) polypeptide H [synthetic construct]" 100.00 150 100.00 100.00 1.69e-103 EMBL CAA89060 "RNA polymerase II subunit hRPB17 [Homo sapiens]" 100.00 150 100.00 100.00 1.69e-103 EMBL CAB92189 "RPB8 [Homo sapiens]" 100.00 150 100.00 100.00 1.69e-103 EMBL CAG03481 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 150 97.33 99.33 1.55e-100 GB AAA91458 "RNA polymerase II subunit [Homo sapiens]" 100.00 150 99.33 99.33 6.85e-103 GB AAD19908 "RPB17 [Rattus norvegicus]" 55.33 83 100.00 100.00 3.06e-51 GB AAH00739 "Polymerase (RNA) II (DNA directed) polypeptide H [Homo sapiens]" 100.00 150 100.00 100.00 1.69e-103 GB AAH02306 "Polymerase (RNA) II (DNA directed) polypeptide H [Mus musculus]" 100.00 150 100.00 100.00 1.69e-103 GB AAH72811 "MGC80152 protein [Xenopus laevis]" 100.00 150 97.33 100.00 2.16e-102 REF NP_001016113 "polymerase (RNA) II (DNA directed) polypeptide H [Xenopus (Silurana) tropicalis]" 100.00 150 98.00 100.00 1.24e-102 REF NP_001017600 "DNA-directed RNA polymerases I, II, and III subunit RPABC3 [Danio rerio]" 100.00 150 97.33 98.67 3.47e-100 REF NP_001085470 "polymerase (RNA) II (DNA directed) polypeptide H [Xenopus laevis]" 100.00 150 97.33 100.00 2.16e-102 REF NP_001128261 "polymerase (RNA) II (DNA directed) polypeptide H [Rattus norvegicus]" 100.00 150 100.00 100.00 1.69e-103 REF NP_001178994 "DNA-directed RNA polymerases I, II, and III subunit RPABC3 [Bos taurus]" 100.00 150 100.00 100.00 1.69e-103 SP P52434 "RecName: Full=DNA-directed RNA polymerases I, II, and III subunit RPABC3; Short=RNA polymerases I, II, and III subunit ABC3; Al" 100.00 150 100.00 100.00 1.69e-103 SP Q923G2 "RecName: Full=DNA-directed RNA polymerases I, II, and III subunit RPABC3; Short=RNA polymerases I, II, and III subunit ABC3; Al" 100.00 150 100.00 100.00 1.69e-103 TPG DAA33314 "TPA: polymerase (RNA) II (DNA directed) polypeptide H [Bos taurus]" 100.00 150 100.00 100.00 1.69e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $polymerase 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 $polymerase '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 $polymerase 1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM . dithiothreitol 10 mM . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H15N13C_CBCACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N13C CBCACONH' _Sample_label $sample_1 save_ save_1H15N13C_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N13C HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate and 10 mM dithiothreitol (pH 6.3) in 95% H2O/5% D2O and were argon flushed.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 pH pressure 1 0.1 atm temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'RNA Polymerase II subunit' _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 1 MET HA H 4.346 0.02 1 2 1 1 MET HB2 H 1.883 0.02 2 3 1 1 MET HB3 H 1.966 0.02 2 4 1 1 MET HG2 H 2.029 0.02 2 5 1 1 MET HG3 H 2.139 0.02 2 6 1 1 MET C C 172.322 0.3 1 7 1 1 MET CA C 56.421 0.3 1 8 1 1 MET CB C 30.284 0.3 1 9 1 1 MET CG C 29.102 0.3 1 10 2 2 ALA H H 8.281 0.02 1 11 2 2 ALA HA H 4.142 0.02 1 12 2 2 ALA HB H 1.533 0.02 1 13 2 2 ALA C C 174.354 0.3 1 14 2 2 ALA CA C 52.081 0.3 1 15 2 2 ALA CB C 19.432 0.3 1 16 2 2 ALA N N 123.189 0.3 1 17 3 3 GLY H H 8.717 0.02 1 18 3 3 GLY HA2 H 3.937 0.02 2 19 3 3 GLY HA3 H 4.052 0.02 2 20 3 3 GLY C C 173.484 0.3 1 21 3 3 GLY CA C 45.840 0.3 1 22 3 3 GLY N N 108.444 0.3 1 23 6 6 PHE HA H 4.567 0.02 1 24 6 6 PHE HB2 H 2.524 0.02 2 25 6 6 PHE HB3 H 3.595 0.02 2 26 6 6 PHE HD1 H 7.272 0.02 3 27 6 6 PHE HE1 H 7.368 0.02 3 28 6 6 PHE C C 171.744 0.3 1 29 6 6 PHE CA C 58.771 0.3 1 30 6 6 PHE CB C 42.557 0.3 1 31 7 7 GLU H H 7.423 0.02 1 32 7 7 GLU HA H 5.392 0.02 1 33 7 7 GLU HB2 H 1.802 0.02 2 34 7 7 GLU HG2 H 2.205 0.02 2 35 7 7 GLU HG3 H 1.996 0.02 2 36 7 7 GLU C C 174.256 0.3 1 37 7 7 GLU CA C 54.918 0.3 1 38 7 7 GLU CB C 33.186 0.3 1 39 7 7 GLU CG C 35.596 0.3 1 40 7 7 GLU N N 127.035 0.3 1 41 8 8 ASP H H 8.687 0.02 1 42 8 8 ASP HA H 4.687 0.02 1 43 8 8 ASP HB2 H 3.137 0.02 2 44 8 8 ASP HB3 H 2.271 0.02 2 45 8 8 ASP C C 173.686 0.3 1 46 8 8 ASP CA C 52.919 0.3 1 47 8 8 ASP CB C 44.930 0.3 1 48 8 8 ASP N N 119.483 0.3 1 49 9 9 ILE H H 9.607 0.02 1 50 9 9 ILE HA H 4.846 0.02 1 51 9 9 ILE HB H 1.442 0.02 1 52 9 9 ILE HG12 H 0.962 0.02 1 53 9 9 ILE HG13 H 1.689 0.02 1 54 9 9 ILE HG2 H 0.676 0.02 1 55 9 9 ILE HD1 H 0.853 0.02 1 56 9 9 ILE C C 175.459 0.3 1 57 9 9 ILE CA C 60.078 0.3 1 58 9 9 ILE CB C 39.801 0.3 1 59 9 9 ILE CG1 C 28.238 0.3 1 60 9 9 ILE CG2 C 18.043 0.3 1 61 9 9 ILE CD1 C 12.878 0.3 1 62 9 9 ILE N N 121.201 0.3 1 63 10 10 PHE H H 9.350 0.02 1 64 10 10 PHE HA H 4.601 0.02 1 65 10 10 PHE HB2 H 1.641 0.02 2 66 10 10 PHE HB3 H 1.995 0.02 2 67 10 10 PHE HD1 H 6.882 0.02 3 68 10 10 PHE C C 172.850 0.3 1 69 10 10 PHE CA C 56.934 0.3 1 70 10 10 PHE CB C 43.146 0.3 1 71 10 10 PHE N N 124.184 0.3 1 72 11 11 ASP H H 8.238 0.02 1 73 11 11 ASP HA H 5.268 0.02 1 74 11 11 ASP HB2 H 2.585 0.02 2 75 11 11 ASP C C 176.489 0.3 1 76 11 11 ASP CA C 52.269 0.3 1 77 11 11 ASP CB C 42.434 0.3 1 78 11 11 ASP N N 117.716 0.3 1 79 12 12 VAL H H 8.804 0.02 1 80 12 12 VAL HA H 4.148 0.02 1 81 12 12 VAL HB H 2.396 0.02 1 82 12 12 VAL HG1 H 0.924 0.02 2 83 12 12 VAL HG2 H 1.203 0.02 2 84 12 12 VAL C C 176.175 0.3 1 85 12 12 VAL CA C 64.368 0.3 1 86 12 12 VAL CB C 31.780 0.3 1 87 12 12 VAL CG1 C 22.077 0.3 1 88 12 12 VAL CG2 C 22.077 0.3 1 89 12 12 VAL N N 123.298 0.3 1 90 13 13 LYS H H 9.095 0.02 1 91 13 13 LYS HA H 4.474 0.02 1 92 13 13 LYS HB2 H 1.906 0.02 2 93 13 13 LYS HG2 H 1.459 0.02 2 94 13 13 LYS HD2 H 1.559 0.02 2 95 13 13 LYS HE2 H 2.883 0.02 2 96 13 13 LYS HE3 H 2.974 0.02 2 97 13 13 LYS C C 175.755 0.3 1 98 13 13 LYS CA C 56.154 0.3 1 99 13 13 LYS CB C 32.855 0.3 1 100 13 13 LYS CG C 23.793 0.3 1 101 13 13 LYS CD C 27.588 0.3 1 102 13 13 LYS CE C 41.872 0.3 1 103 13 13 LYS N N 130.315 0.3 1 104 14 14 ASP H H 8.266 0.02 1 105 14 14 ASP HA H 4.881 0.02 1 106 14 14 ASP HB2 H 2.646 0.02 2 107 14 14 ASP HB3 H 2.779 0.02 2 108 14 14 ASP C C 173.347 0.3 1 109 14 14 ASP CA C 53.975 0.3 1 110 14 14 ASP CB C 44.035 0.3 1 111 14 14 ASP N N 114.561 0.3 1 112 15 15 ILE H H 8.632 0.02 1 113 15 15 ILE HA H 4.740 0.02 1 114 15 15 ILE HB H 1.679 0.02 1 115 15 15 ILE HG12 H 1.438 0.02 1 116 15 15 ILE HG13 H 0.976 0.02 1 117 15 15 ILE HG2 H 0.863 0.02 1 118 15 15 ILE HD1 H 0.802 0.02 1 119 15 15 ILE C C 174.958 0.3 1 120 15 15 ILE CA C 60.529 0.3 1 121 15 15 ILE CB C 40.972 0.3 1 122 15 15 ILE CG1 C 27.782 0.3 1 123 15 15 ILE CG2 C 17.475 0.3 1 124 15 15 ILE CD1 C 13.684 0.3 1 125 15 15 ILE N N 120.292 0.3 1 126 16 16 ASP H H 9.220 0.02 1 127 16 16 ASP HA H 4.949 0.02 1 128 16 16 ASP HB2 H 2.730 0.02 2 129 16 16 ASP C C 173.812 0.3 1 130 16 16 ASP CA C 53.332 0.3 1 131 16 16 ASP CB C 41.408 0.3 1 132 16 16 ASP N N 126.118 0.3 1 133 17 17 PRO HA H 4.542 0.02 1 134 17 17 PRO HB2 H 2.026 0.02 2 135 17 17 PRO HB3 H 2.260 0.02 2 136 17 17 PRO HG2 H 1.947 0.02 2 137 17 17 PRO HD2 H 3.360 0.02 2 138 17 17 PRO HD3 H 3.717 0.02 2 139 17 17 PRO C C 177.950 0.3 1 140 17 17 PRO CA C 64.213 0.3 1 141 17 17 PRO CB C 32.080 0.3 1 142 17 17 PRO CG C 27.165 0.3 1 143 17 17 PRO CD C 50.611 0.3 1 144 18 18 GLU H H 8.632 0.02 1 145 18 18 GLU HA H 4.339 0.02 1 146 18 18 GLU HB2 H 1.986 0.02 2 147 18 18 GLU HB3 H 2.144 0.02 2 148 18 18 GLU HG2 H 2.251 0.02 2 149 18 18 GLU C C 177.175 0.3 1 150 18 18 GLU CA C 56.845 0.3 1 151 18 18 GLU CB C 29.743 0.3 1 152 18 18 GLU CG C 36.362 0.3 1 153 18 18 GLU N N 119.161 0.3 1 154 19 19 GLY H H 8.064 0.02 1 155 19 19 GLY HA2 H 3.865 0.02 2 156 19 19 GLY HA3 H 4.120 0.02 2 157 19 19 GLY C C 174.090 0.3 1 158 19 19 GLY CA C 45.339 0.3 1 159 19 19 GLY N N 108.352 0.3 1 160 20 20 LYS H H 8.153 0.02 1 161 20 20 LYS HA H 4.256 0.02 1 162 20 20 LYS HB2 H 1.796 0.02 2 163 20 20 LYS HB3 H 1.726 0.02 2 164 20 20 LYS HG2 H 1.690 0.02 2 165 20 20 LYS HD2 H 1.476 0.02 2 166 20 20 LYS HD3 H 1.375 0.02 2 167 20 20 LYS HE2 H 3.008 0.02 2 168 20 20 LYS C C 176.754 0.3 1 169 20 20 LYS CA C 56.748 0.3 1 170 20 20 LYS CB C 32.808 0.3 1 171 20 20 LYS CG C 29.165 0.3 1 172 20 20 LYS CD C 24.725 0.3 1 173 20 20 LYS CE C 42.224 0.3 1 174 20 20 LYS N N 121.276 0.3 1 175 21 21 LYS H H 8.218 0.02 1 176 21 21 LYS HA H 4.170 0.02 1 177 21 21 LYS HB2 H 1.532 0.02 2 178 21 21 LYS HG2 H 1.119 0.02 2 179 21 21 LYS HG3 H 1.188 0.02 2 180 21 21 LYS HD2 H 1.533 0.02 2 181 21 21 LYS HE2 H 2.871 0.02 2 182 21 21 LYS C C 176.014 0.3 1 183 21 21 LYS CA C 56.801 0.3 1 184 21 21 LYS CB C 33.210 0.3 1 185 21 21 LYS CG C 24.545 0.3 1 186 21 21 LYS CD C 28.998 0.3 1 187 21 21 LYS CE C 42.293 0.3 1 188 21 21 LYS N N 122.474 0.3 1 189 22 22 PHE H H 8.165 0.02 1 190 22 22 PHE HA H 4.746 0.02 1 191 22 22 PHE HB2 H 3.298 0.02 2 192 22 22 PHE HB3 H 2.970 0.02 2 193 22 22 PHE HD1 H 7.245 0.02 3 194 22 22 PHE HE1 H 7.356 0.02 3 195 22 22 PHE C C 175.383 0.3 1 196 22 22 PHE CA C 56.771 0.3 1 197 22 22 PHE CB C 40.271 0.3 1 198 22 22 PHE N N 118.454 0.3 1 199 23 23 ASP H H 8.400 0.02 1 200 23 23 ASP HA H 4.486 0.02 1 201 23 23 ASP HB2 H 2.698 0.02 2 202 23 23 ASP C C 176.596 0.3 1 203 23 23 ASP CA C 55.536 0.3 1 204 23 23 ASP CB C 41.313 0.3 1 205 23 23 ASP N N 120.700 0.3 1 206 24 24 ARG H H 8.372 0.02 1 207 24 24 ARG HA H 4.169 0.02 1 208 24 24 ARG HB2 H 1.963 0.02 2 209 24 24 ARG HG2 H 1.553 0.02 2 210 24 24 ARG HG3 H 1.621 0.02 2 211 24 24 ARG HD2 H 3.133 0.02 2 212 24 24 ARG HD3 H 3.180 0.02 2 213 24 24 ARG HE H 7.196 0.02 1 214 24 24 ARG C C 174.118 0.3 1 215 24 24 ARG CA C 56.819 0.3 1 216 24 24 ARG CB C 29.508 0.3 1 217 24 24 ARG CG C 27.188 0.3 1 218 24 24 ARG CD C 43.412 0.3 1 219 24 24 ARG N N 116.339 0.3 1 220 24 24 ARG NE N 85.053 0.3 1 221 25 25 VAL H H 7.394 0.02 1 222 25 25 VAL HA H 4.983 0.02 1 223 25 25 VAL HB H 1.884 0.02 1 224 25 25 VAL HG1 H 0.838 0.02 2 225 25 25 VAL C C 176.105 0.3 1 226 25 25 VAL CA C 60.964 0.3 1 227 25 25 VAL CB C 35.011 0.3 1 228 25 25 VAL CG1 C 21.814 0.3 1 229 25 25 VAL N N 117.881 0.3 1 230 26 26 SER H H 8.683 0.02 1 231 26 26 SER HA H 5.046 0.02 1 232 26 26 SER HB2 H 3.526 0.02 2 233 26 26 SER HB3 H 3.695 0.02 2 234 26 26 SER CA C 57.596 0.3 1 235 26 26 SER CB C 66.629 0.3 1 236 26 26 SER N N 122.398 0.3 1 237 27 27 ARG H H 8.937 0.02 1 238 27 27 ARG HA H 5.039 0.02 1 239 27 27 ARG HB2 H 1.987 0.02 2 240 27 27 ARG HG2 H 1.951 0.02 2 241 27 27 ARG HD2 H 3.121 0.02 2 242 27 27 ARG C C 174.875 0.3 1 243 27 27 ARG CA C 55.593 0.3 1 244 27 27 ARG CB C 32.081 0.3 1 245 27 27 ARG CG C 27.024 0.3 1 246 27 27 ARG CD C 43.742 0.3 1 247 27 27 ARG N N 118.901 0.3 1 248 28 28 LEU H H 9.451 0.02 1 249 28 28 LEU HA H 4.739 0.02 1 250 28 28 LEU HB2 H 1.397 0.02 2 251 28 28 LEU HB3 H 1.918 0.02 2 252 28 28 LEU HG H 0.738 0.02 1 253 28 28 LEU HD1 H 0.717 0.02 2 254 28 28 LEU C C 176.159 0.3 1 255 28 28 LEU CA C 54.184 0.3 1 256 28 28 LEU CB C 44.103 0.3 1 257 28 28 LEU CG C 26.075 0.3 1 258 28 28 LEU CD1 C 23.482 0.3 1 259 28 28 LEU N N 127.832 0.3 1 260 29 29 HIS H H 8.989 0.02 1 261 29 29 HIS HA H 5.918 0.02 1 262 29 29 HIS HB2 H 3.414 0.02 2 263 29 29 HIS HB3 H 3.037 0.02 2 264 29 29 HIS CA C 54.028 0.3 1 265 29 29 HIS CB C 30.196 0.3 1 266 29 29 HIS N N 121.000 0.3 1 267 30 30 CYS H H 9.845 0.02 1 268 30 30 CYS HA H 5.492 0.02 1 269 30 30 CYS HB2 H 2.930 0.02 2 270 30 30 CYS C C 171.958 0.3 1 271 30 30 CYS CA C 55.210 0.3 1 272 30 30 CYS CB C 33.478 0.3 1 273 30 30 CYS N N 124.619 0.3 1 274 31 31 GLU H H 8.178 0.02 1 275 31 31 GLU HA H 5.594 0.02 1 276 31 31 GLU HB2 H 1.880 0.02 2 277 31 31 GLU HB3 H 2.033 0.02 2 278 31 31 GLU HG2 H 2.343 0.02 2 279 31 31 GLU HG3 H 2.072 0.02 2 280 31 31 GLU C C 176.305 0.3 1 281 31 31 GLU CA C 54.510 0.3 1 282 31 31 GLU CB C 34.251 0.3 1 283 31 31 GLU CG C 36.694 0.3 1 284 31 31 GLU N N 120.069 0.3 1 285 32 32 SER H H 9.040 0.02 1 286 32 32 SER HA H 4.969 0.02 1 287 32 32 SER HB2 H 3.071 0.02 2 288 32 32 SER HB3 H 2.475 0.02 2 289 32 32 SER C C 174.931 0.3 1 290 32 32 SER CA C 57.246 0.3 1 291 32 32 SER CB C 62.707 0.3 1 292 32 32 SER N N 123.352 0.3 1 293 33 33 GLU H H 8.442 0.02 1 294 33 33 GLU HA H 4.085 0.02 1 295 33 33 GLU HB2 H 1.768 0.02 2 296 33 33 GLU HB3 H 2.039 0.02 2 297 33 33 GLU HG2 H 2.238 0.02 2 298 33 33 GLU C C 177.733 0.3 1 299 33 33 GLU CA C 59.473 0.3 1 300 33 33 GLU CB C 30.130 0.3 1 301 33 33 GLU CG C 36.061 0.3 1 302 33 33 GLU N N 119.780 0.3 1 303 34 34 SER H H 9.754 0.02 1 304 34 34 SER HA H 4.273 0.02 1 305 34 34 SER HB2 H 3.110 0.02 2 306 34 34 SER HB3 H 3.497 0.02 2 307 34 34 SER C C 176.711 0.3 1 308 34 34 SER CA C 61.401 0.3 1 309 34 34 SER CB C 62.936 0.3 1 310 34 34 SER N N 117.091 0.3 1 311 35 35 PHE H H 9.087 0.02 1 312 35 35 PHE HA H 4.708 0.02 1 313 35 35 PHE HB2 H 2.795 0.02 2 314 35 35 PHE HB3 H 3.572 0.02 2 315 35 35 PHE HD1 H 7.330 0.02 3 316 35 35 PHE C C 174.341 0.3 1 317 35 35 PHE CA C 57.870 0.3 1 318 35 35 PHE CB C 39.469 0.3 1 319 35 35 PHE N N 117.111 0.3 1 320 36 36 LYS H H 6.958 0.02 1 321 36 36 LYS HA H 4.181 0.02 1 322 36 36 LYS HB2 H 1.965 0.02 2 323 36 36 LYS HG2 H 1.377 0.02 2 324 36 36 LYS HD2 H 1.593 0.02 2 325 36 36 LYS HE2 H 3.006 0.02 2 326 36 36 LYS C C 176.274 0.3 1 327 36 36 LYS CA C 56.532 0.3 1 328 36 36 LYS CB C 28.841 0.3 1 329 36 36 LYS CG C 24.585 0.3 1 330 36 36 LYS CD C 27.126 0.3 1 331 36 36 LYS CE C 42.427 0.3 1 332 36 36 LYS N N 115.876 0.3 1 333 37 37 MET H H 8.574 0.02 1 334 37 37 MET HA H 4.928 0.02 1 335 37 37 MET HB2 H 1.984 0.02 2 336 37 37 MET HG2 H 1.857 0.02 2 337 37 37 MET HG3 H 1.975 0.02 2 338 37 37 MET C C 175.581 0.3 1 339 37 37 MET CA C 53.874 0.3 1 340 37 37 MET CB C 32.158 0.3 1 341 37 37 MET CG C 27.154 0.3 1 342 37 37 MET N N 115.923 0.3 1 343 38 38 ASP H H 9.115 0.02 1 344 38 38 ASP HA H 5.256 0.02 1 345 38 38 ASP HB2 H 2.709 0.02 2 346 38 38 ASP HB3 H 2.836 0.02 2 347 38 38 ASP C C 174.176 0.3 1 348 38 38 ASP CA C 54.281 0.3 1 349 38 38 ASP CB C 45.453 0.3 1 350 38 38 ASP N N 123.026 0.3 1 351 39 39 LEU H H 8.878 0.02 1 352 39 39 LEU HA H 5.491 0.02 1 353 39 39 LEU HB2 H 1.397 0.02 2 354 39 39 LEU HB3 H 1.265 0.02 2 355 39 39 LEU HG H 0.154 0.02 1 356 39 39 LEU HD1 H 0.716 0.02 2 357 39 39 LEU C C 174.611 0.3 1 358 39 39 LEU CA C 53.140 0.3 1 359 39 39 LEU CB C 48.439 0.3 1 360 39 39 LEU CG C 25.925 0.3 1 361 39 39 LEU CD1 C 24.519 0.3 1 362 39 39 LEU N N 127.753 0.3 1 363 40 40 ILE H H 8.770 0.02 1 364 40 40 ILE HA H 5.295 0.02 1 365 40 40 ILE HB H 1.666 0.02 1 366 40 40 ILE HG12 H 1.605 0.02 1 367 40 40 ILE HG2 H 0.771 0.02 1 368 40 40 ILE HD1 H 0.760 0.02 1 369 40 40 ILE C C 175.179 0.3 1 370 40 40 ILE CA C 59.552 0.3 1 371 40 40 ILE CB C 39.701 0.3 1 372 40 40 ILE CG1 C 27.127 0.3 1 373 40 40 ILE CG2 C 17.306 0.3 1 374 40 40 ILE CD1 C 11.878 0.3 1 375 40 40 ILE N N 128.455 0.3 1 376 41 41 LEU H H 8.960 0.02 1 377 41 41 LEU HA H 5.190 0.02 1 378 41 41 LEU HB2 H 1.478 0.02 2 379 41 41 LEU HG H 0.530 0.02 1 380 41 41 LEU HD2 H 0.813 0.02 2 381 41 41 LEU C C 174.308 0.3 1 382 41 41 LEU CA C 53.914 0.3 1 383 41 41 LEU CB C 47.096 0.3 1 384 41 41 LEU CG C 26.892 0.3 1 385 41 41 LEU CD2 C 23.819 0.3 1 386 41 41 LEU N N 127.828 0.3 1 387 42 42 ASP H H 8.606 0.02 1 388 42 42 ASP HA H 5.460 0.02 1 389 42 42 ASP HB2 H 3.088 0.02 2 390 42 42 ASP N N 129.355 0.3 1 391 44 44 ASN HA H 5.096 0.02 1 392 44 44 ASN HB2 H 2.630 0.02 2 393 44 44 ASN HB3 H 3.207 0.02 2 394 44 44 ASN HD21 H 7.652 0.02 2 395 44 44 ASN HD22 H 7.037 0.02 2 396 44 44 ASN C C 175.334 0.3 1 397 44 44 ASN CA C 52.409 0.3 1 398 44 44 ASN CB C 37.541 0.3 1 399 44 44 ASN CG C 180.032 0.3 1 400 44 44 ASN ND2 N 110.893 0.3 1 401 45 45 ILE H H 8.041 0.02 1 402 45 45 ILE HA H 4.184 0.02 1 403 45 45 ILE HB H 2.121 0.02 1 404 45 45 ILE HG12 H 1.236 0.02 1 405 45 45 ILE HG2 H 1.048 0.02 1 406 45 45 ILE HD1 H 0.860 0.02 1 407 45 45 ILE C C 177.267 0.3 1 408 45 45 ILE CA C 61.645 0.3 1 409 45 45 ILE CB C 38.044 0.3 1 410 45 45 ILE CG1 C 27.176 0.3 1 411 45 45 ILE CG2 C 19.528 0.3 1 412 45 45 ILE CD1 C 13.928 0.3 1 413 45 45 ILE N N 122.304 0.3 1 414 46 46 GLN H H 8.270 0.02 1 415 46 46 GLN HA H 4.167 0.02 1 416 46 46 GLN HB2 H 2.313 0.02 2 417 46 46 GLN HB3 H 2.126 0.02 2 418 46 46 GLN HG2 H 2.334 0.02 2 419 46 46 GLN HG3 H 2.438 0.02 2 420 46 46 GLN HE21 H 6.796 0.02 2 421 46 46 GLN HE22 H 7.504 0.02 2 422 46 46 GLN C C 177.418 0.3 1 423 46 46 GLN CA C 57.938 0.3 1 424 46 46 GLN CB C 28.216 0.3 1 425 46 46 GLN CG C 34.074 0.3 1 426 46 46 GLN CD C 180.008 0.3 1 427 46 46 GLN N N 120.281 0.3 1 428 46 46 GLN NE2 N 111.737 0.3 1 429 47 47 ILE H H 7.193 0.02 1 430 47 47 ILE HA H 4.115 0.02 1 431 47 47 ILE HB H 1.878 0.02 1 432 47 47 ILE HG12 H 1.159 0.02 1 433 47 47 ILE HG13 H 1.542 0.02 1 434 47 47 ILE HG2 H 0.999 0.02 1 435 47 47 ILE HD1 H 0.937 0.02 1 436 47 47 ILE C C 176.109 0.3 1 437 47 47 ILE CA C 62.138 0.3 1 438 47 47 ILE CB C 39.208 0.3 1 439 47 47 ILE CG1 C 27.728 0.3 1 440 47 47 ILE CG2 C 17.701 0.3 1 441 47 47 ILE CD1 C 12.947 0.3 1 442 47 47 ILE N N 116.238 0.3 1 443 48 48 TYR H H 8.104 0.02 1 444 48 48 TYR HA H 4.730 0.02 1 445 48 48 TYR HB2 H 2.646 0.02 2 446 48 48 TYR HB3 H 2.580 0.02 2 447 48 48 TYR HD1 H 6.711 0.02 3 448 48 48 TYR CA C 55.518 0.3 1 449 48 48 TYR CB C 39.429 0.3 1 450 48 48 TYR N N 122.917 0.3 1 451 50 50 VAL H H 8.265 0.02 1 452 50 50 VAL N N 123.181 0.3 1 453 53 53 GLY HA2 H 3.722 0.02 2 454 53 53 GLY HA3 H 3.706 0.02 2 455 54 54 ASP H H 8.178 0.02 1 456 54 54 ASP HA H 4.285 0.02 1 457 54 54 ASP HB2 H 2.358 0.02 2 458 54 54 ASP N N 112.056 0.3 1 459 55 55 LYS HA H 5.643 0.02 1 460 55 55 LYS HB2 H 1.672 0.02 2 461 55 55 LYS HB3 H 1.605 0.02 2 462 55 55 LYS HG2 H 1.367 0.02 2 463 55 55 LYS HG3 H 1.408 0.02 2 464 55 55 LYS HE2 H 2.814 0.02 2 465 55 55 LYS C C 176.697 0.3 1 466 55 55 LYS CA C 54.361 0.3 1 467 55 55 LYS CB C 37.038 0.3 1 468 55 55 LYS CG C 24.603 0.3 1 469 55 55 LYS CD C 29.367 0.3 1 470 55 55 LYS CE C 41.650 0.3 1 471 56 56 PHE H H 8.811 0.02 1 472 56 56 PHE HA H 5.485 0.02 1 473 56 56 PHE HB2 H 2.865 0.02 2 474 56 56 PHE HB3 H 3.078 0.02 2 475 56 56 PHE HD1 H 6.878 0.02 3 476 56 56 PHE C C 173.507 0.3 1 477 56 56 PHE CA C 55.433 0.3 1 478 56 56 PHE CB C 41.691 0.3 1 479 56 56 PHE N N 116.132 0.3 1 480 57 57 ARG H H 9.332 0.02 1 481 57 57 ARG HA H 4.910 0.02 1 482 57 57 ARG HB2 H 1.894 0.02 2 483 57 57 ARG HG2 H 1.544 0.02 2 484 57 57 ARG HD2 H 3.015 0.02 2 485 57 57 ARG C C 174.188 0.3 1 486 57 57 ARG CA C 55.870 0.3 1 487 57 57 ARG CB C 32.440 0.3 1 488 57 57 ARG CG C 27.565 0.3 1 489 57 57 ARG CD C 41.978 0.3 1 490 57 57 ARG N N 122.863 0.3 1 491 58 58 LEU H H 9.159 0.02 1 492 58 58 LEU HA H 5.550 0.02 1 493 58 58 LEU HB2 H 1.602 0.02 2 494 58 58 LEU HB3 H 2.278 0.02 2 495 58 58 LEU HG H 1.561 0.02 1 496 58 58 LEU HD1 H 1.462 0.02 2 497 58 58 LEU HD2 H 1.440 0.02 2 498 58 58 LEU C C 174.056 0.3 1 499 58 58 LEU CA C 54.180 0.3 1 500 58 58 LEU CB C 46.562 0.3 1 501 58 58 LEU CG C 27.861 0.3 1 502 58 58 LEU CD1 C 23.777 0.3 1 503 58 58 LEU CD2 C 23.777 0.3 1 504 58 58 LEU N N 130.392 0.3 1 505 59 59 VAL HA H 4.903 0.02 1 506 59 59 VAL HB H 1.645 0.02 1 507 59 59 VAL HG1 H 0.837 0.02 2 508 59 59 VAL HG2 H 1.028 0.02 2 509 59 59 VAL C C 174.763 0.3 1 510 59 59 VAL CA C 60.533 0.3 1 511 59 59 VAL CB C 34.948 0.3 1 512 59 59 VAL CG1 C 22.119 0.3 1 513 59 59 VAL CG2 C 22.119 0.3 1 514 61 61 ALA HA H 4.354 0.02 1 515 61 61 ALA HB H 1.431 0.02 1 516 61 61 ALA C C 177.805 0.3 1 517 61 61 ALA CA C 52.537 0.3 1 518 61 61 ALA CB C 19.187 0.3 1 519 62 62 SER H H 8.552 0.02 1 520 62 62 SER CA C 62.655 0.3 1 521 62 62 SER N N 115.016 0.3 1 522 63 63 THR HA H 4.369 0.02 1 523 63 63 THR HB H 4.197 0.02 1 524 63 63 THR HG2 H 1.121 0.02 1 525 63 63 THR C C 174.904 0.3 1 526 63 63 THR CA C 62.400 0.3 1 527 63 63 THR CB C 69.511 0.3 1 528 63 63 THR CG2 C 20.549 0.3 1 529 65 65 TYR HA H 4.689 0.02 1 530 65 65 TYR HB2 H 2.790 0.02 2 531 65 65 TYR HB3 H 3.127 0.02 2 532 65 65 TYR HD1 H 7.042 0.02 3 533 65 65 TYR HE1 H 6.752 0.02 3 534 65 65 TYR CA C 57.644 0.3 1 535 65 65 TYR CB C 39.165 0.3 1 536 66 66 GLU H H 8.738 0.02 1 537 66 66 GLU HA H 4.191 0.02 1 538 66 66 GLU HB2 H 1.905 0.02 2 539 66 66 GLU HB3 H 2.093 0.02 2 540 66 66 GLU HG2 H 2.200 0.02 2 541 66 66 GLU HG3 H 2.332 0.02 2 542 66 66 GLU C C 176.216 0.3 1 543 66 66 GLU CA C 57.439 0.3 1 544 66 66 GLU CB C 30.283 0.3 1 545 66 66 GLU CG C 36.114 0.3 1 546 66 66 GLU N N 122.399 0.3 1 547 67 67 ASP H H 8.209 0.02 1 548 67 67 ASP HA H 4.548 0.02 1 549 67 67 ASP HB2 H 2.675 0.02 2 550 67 67 ASP HB3 H 2.788 0.02 2 551 67 67 ASP C C 176.817 0.3 1 552 67 67 ASP CA C 54.171 0.3 1 553 67 67 ASP CB C 40.959 0.3 1 554 67 67 ASP N N 119.172 0.3 1 555 68 68 GLY H H 8.280 0.02 1 556 68 68 GLY HA2 H 3.841 0.02 2 557 68 68 GLY HA3 H 4.067 0.02 2 558 68 68 GLY C C 174.477 0.3 1 559 68 68 GLY CA C 45.610 0.3 1 560 68 68 GLY N N 108.661 0.3 1 561 69 69 THR H H 8.039 0.02 1 562 69 69 THR HA H 4.281 0.02 1 563 69 69 THR HB H 4.155 0.02 1 564 69 69 THR HG2 H 1.232 0.02 1 565 69 69 THR C C 174.364 0.3 1 566 69 69 THR CA C 62.697 0.3 1 567 69 69 THR CB C 70.043 0.3 1 568 69 69 THR CG2 C 21.697 0.3 1 569 69 69 THR N N 114.345 0.3 1 570 70 70 LEU H H 8.276 0.02 1 571 70 70 LEU HA H 4.395 0.02 1 572 70 70 LEU HB2 H 1.590 0.02 2 573 70 70 LEU HG H 1.598 0.02 1 574 70 70 LEU HD1 H 1.017 0.02 2 575 70 70 LEU HD2 H 0.809 0.02 2 576 70 70 LEU C C 176.798 0.3 1 577 70 70 LEU CA C 55.183 0.3 1 578 70 70 LEU CB C 42.545 0.3 1 579 70 70 LEU CG C 26.923 0.3 1 580 70 70 LEU CD1 C 25.002 0.3 1 581 70 70 LEU CD2 C 23.611 0.3 1 582 70 70 LEU N N 123.524 0.3 1 583 71 71 ASP H H 8.226 0.02 1 584 71 71 ASP HA H 4.657 0.02 1 585 71 71 ASP HB2 H 2.643 0.02 2 586 71 71 ASP HB3 H 2.731 0.02 2 587 71 71 ASP C C 175.813 0.3 1 588 71 71 ASP CA C 54.207 0.3 1 589 71 71 ASP CB C 41.723 0.3 1 590 71 71 ASP N N 120.777 0.3 1 591 72 72 ASP H H 8.276 0.02 1 592 72 72 ASP HA H 4.610 0.02 1 593 72 72 ASP HB2 H 2.710 0.02 2 594 72 72 ASP C C 176.854 0.3 1 595 72 72 ASP CA C 54.151 0.3 1 596 72 72 ASP CB C 41.156 0.3 1 597 72 72 ASP N N 121.168 0.3 1 598 73 73 GLY H H 8.359 0.02 1 599 73 73 GLY HA2 H 3.910 0.02 2 600 73 73 GLY C C 174.118 0.3 1 601 73 73 GLY CA C 45.508 0.3 1 602 73 73 GLY N N 108.783 0.3 1 603 74 74 GLU H H 8.149 0.02 1 604 74 74 GLU HA H 4.248 0.02 1 605 74 74 GLU HB2 H 1.889 0.02 2 606 74 74 GLU HB3 H 1.959 0.02 2 607 74 74 GLU HG2 H 2.157 0.02 2 608 74 74 GLU HG3 H 2.261 0.02 2 609 74 74 GLU C C 175.925 0.3 1 610 74 74 GLU CA C 56.240 0.3 1 611 74 74 GLU CB C 30.378 0.3 1 612 74 74 GLU CG C 36.096 0.3 1 613 74 74 GLU N N 120.303 0.3 1 614 75 75 TYR H H 8.194 0.02 1 615 75 75 TYR HA H 4.508 0.02 1 616 75 75 TYR HB2 H 2.936 0.02 2 617 75 75 TYR HD1 H 6.999 0.02 3 618 75 75 TYR HE1 H 6.515 0.02 3 619 75 75 TYR C C 174.725 0.3 1 620 75 75 TYR CA C 57.879 0.3 1 621 75 75 TYR CB C 30.938 0.3 1 622 75 75 TYR N N 122.114 0.3 1 623 76 76 ASN H H 8.349 0.02 1 624 76 76 ASN HA H 4.956 0.02 1 625 76 76 ASN HB2 H 2.594 0.02 2 626 76 76 ASN HB3 H 2.827 0.02 2 627 76 76 ASN HD21 H 7.594 0.02 2 628 76 76 ASN HD22 H 6.844 0.02 2 629 76 76 ASN C C 173.092 0.3 1 630 76 76 ASN CA C 50.389 0.3 1 631 76 76 ASN CB C 39.693 0.3 1 632 76 76 ASN CG C 177.179 0.3 1 633 76 76 ASN N N 124.425 0.3 1 634 76 76 ASN ND2 N 113.003 0.3 1 635 77 77 PRO HA H 4.327 0.02 1 636 77 77 PRO HB2 H 2.003 0.02 2 637 77 77 PRO HB3 H 2.266 0.02 2 638 77 77 PRO HG2 H 1.996 0.02 2 639 77 77 PRO HG3 H 1.935 0.02 2 640 77 77 PRO HD2 H 3.362 0.02 2 641 77 77 PRO HD3 H 3.701 0.02 2 642 77 77 PRO C C 176.862 0.3 1 643 77 77 PRO CA C 63.775 0.3 1 644 77 77 PRO CB C 32.122 0.3 1 645 77 77 PRO CG C 27.214 0.3 1 646 77 77 PRO CD C 50.609 0.3 1 647 78 78 THR H H 7.901 0.02 1 648 78 78 THR HA H 4.358 0.02 1 649 78 78 THR HB H 4.338 0.02 1 650 78 78 THR HG2 H 1.162 0.02 1 651 78 78 THR C C 174.578 0.3 1 652 78 78 THR CA C 61.673 0.3 1 653 78 78 THR CB C 69.629 0.3 1 654 78 78 THR CG2 C 21.722 0.3 1 655 78 78 THR N N 110.950 0.3 1 656 79 79 ASP H H 7.899 0.02 1 657 79 79 ASP HA H 4.519 0.02 1 658 79 79 ASP HB2 H 2.684 0.02 2 659 79 79 ASP HB3 H 2.733 0.02 2 660 79 79 ASP C C 175.943 0.3 1 661 79 79 ASP CA C 54.799 0.3 1 662 79 79 ASP CB C 41.273 0.3 1 663 79 79 ASP N N 122.184 0.3 1 664 80 80 ASP H H 8.274 0.02 1 665 80 80 ASP HA H 4.563 0.02 1 666 80 80 ASP HB2 H 2.753 0.02 2 667 80 80 ASP HB3 H 2.619 0.02 2 668 80 80 ASP C C 175.820 0.3 1 669 80 80 ASP CA C 54.070 0.3 1 670 80 80 ASP CB C 40.775 0.3 1 671 80 80 ASP N N 120.281 0.3 1 672 81 81 ARG H H 7.963 0.02 1 673 81 81 ARG HA H 4.578 0.02 1 674 81 81 ARG HB2 H 1.710 0.02 2 675 81 81 ARG HB3 H 1.787 0.02 2 676 81 81 ARG HG2 H 1.585 0.02 2 677 81 81 ARG HD2 H 2.966 0.02 2 678 81 81 ARG HD3 H 3.021 0.02 2 679 81 81 ARG C C 173.966 0.3 1 680 81 81 ARG CA C 54.751 0.3 1 681 81 81 ARG CB C 30.588 0.3 1 682 81 81 ARG CG C 26.584 0.3 1 683 81 81 ARG CD C 43.525 0.3 1 684 81 81 ARG N N 121.822 0.3 1 685 82 82 PRO HA H 4.514 0.02 1 686 82 82 PRO HB2 H 1.857 0.02 2 687 82 82 PRO HB3 H 2.260 0.02 2 688 82 82 PRO HG2 H 1.946 0.02 2 689 82 82 PRO HD2 H 3.358 0.02 2 690 82 82 PRO HD3 H 3.695 0.02 2 691 82 82 PRO C C 176.488 0.3 1 692 82 82 PRO CA C 63.322 0.3 1 693 82 82 PRO CB C 32.274 0.3 1 694 82 82 PRO CG C 27.113 0.3 1 695 82 82 PRO CD C 50.645 0.3 1 696 83 83 SER H H 8.563 0.02 1 697 83 83 SER HA H 5.191 0.02 1 698 83 83 SER HB2 H 3.761 0.02 2 699 83 83 SER C C 175.623 0.3 1 700 83 83 SER CA C 57.364 0.3 1 701 83 83 SER CB C 65.403 0.3 1 702 83 83 SER N N 116.328 0.3 1 703 85 85 ALA H H 8.213 0.02 1 704 85 85 ALA HA H 3.999 0.02 1 705 85 85 ALA HB H 1.278 0.02 1 706 85 85 ALA C C 178.171 0.3 1 707 85 85 ALA CA C 54.473 0.3 1 708 85 85 ALA CB C 18.477 0.3 1 709 85 85 ALA N N 120.491 0.3 1 710 86 86 ASP H H 7.762 0.02 1 711 86 86 ASP HA H 4.474 0.02 1 712 86 86 ASP HB2 H 2.774 0.02 2 713 86 86 ASP C C 176.862 0.3 1 714 86 86 ASP CA C 55.848 0.3 1 715 86 86 ASP CB C 40.600 0.3 1 716 86 86 ASP N N 115.701 0.3 1 717 87 87 GLN H H 7.604 0.02 1 718 87 87 GLN HA H 4.248 0.02 1 719 87 87 GLN HB2 H 1.925 0.02 2 720 87 87 GLN HG2 H 2.265 0.02 2 721 87 87 GLN HE21 H 6.643 0.02 2 722 87 87 GLN HE22 H 7.181 0.02 2 723 87 87 GLN C C 174.930 0.3 1 724 87 87 GLN CA C 55.580 0.3 1 725 87 87 GLN CB C 29.171 0.3 1 726 87 87 GLN CG C 33.968 0.3 1 727 87 87 GLN CD C 180.187 0.3 1 728 87 87 GLN N N 115.759 0.3 1 729 87 87 GLN NE2 N 109.733 0.3 1 730 88 88 PHE H H 7.855 0.02 1 731 88 88 PHE HA H 4.521 0.02 1 732 88 88 PHE HB2 H 3.108 0.02 2 733 88 88 PHE C C 174.077 0.3 1 734 88 88 PHE CA C 57.997 0.3 1 735 88 88 PHE CB C 41.363 0.3 1 736 88 88 PHE N N 117.802 0.3 1 737 90 90 TYR HE1 H 6.684 0.02 3 738 92 92 MET HA H 4.744 0.02 1 739 92 92 MET HB2 H 1.746 0.02 2 740 92 92 MET HB3 H 1.348 0.02 2 741 92 92 MET HG2 H 1.778 0.02 2 742 92 92 MET HG3 H 1.955 0.02 2 743 92 92 MET C C 173.395 0.3 1 744 92 92 MET CA C 54.163 0.3 1 745 92 92 MET CB C 38.076 0.3 1 746 92 92 MET CG C 32.262 0.3 1 747 93 93 TYR H H 8.539 0.02 1 748 93 93 TYR HA H 5.182 0.02 1 749 93 93 TYR HB2 H 2.887 0.02 2 750 93 93 TYR HB3 H 2.772 0.02 2 751 93 93 TYR HD1 H 6.473 0.02 3 752 93 93 TYR C C 175.558 0.3 1 753 93 93 TYR CA C 55.508 0.3 1 754 93 93 TYR CB C 40.690 0.3 1 755 93 93 TYR N N 122.791 0.3 1 756 94 94 GLY H H 8.937 0.02 1 757 94 94 GLY HA2 H 3.383 0.02 2 758 94 94 GLY HA3 H 4.645 0.02 2 759 94 94 GLY C C 171.862 0.3 1 760 94 94 GLY CA C 45.803 0.3 1 761 94 94 GLY N N 114.415 0.3 1 762 95 95 LYS H H 8.144 0.02 1 763 95 95 LYS HA H 5.130 0.02 1 764 95 95 LYS HB2 H 1.497 0.02 2 765 95 95 LYS HB3 H 1.699 0.02 2 766 95 95 LYS HG2 H 1.196 0.02 2 767 95 95 LYS HD2 H 1.599 0.02 2 768 95 95 LYS HE2 H 2.877 0.02 2 769 95 95 LYS C C 175.514 0.3 1 770 95 95 LYS CA C 54.513 0.3 1 771 95 95 LYS CB C 36.397 0.3 1 772 95 95 LYS CG C 24.557 0.3 1 773 95 95 LYS CD C 29.391 0.3 1 774 95 95 LYS CE C 41.875 0.3 1 775 95 95 LYS N N 118.956 0.3 1 776 96 96 VAL H H 8.780 0.02 1 777 96 96 VAL HA H 4.416 0.02 1 778 96 96 VAL HB H 2.577 0.02 1 779 96 96 VAL HG1 H 0.810 0.02 2 780 96 96 VAL HG2 H 0.961 0.02 2 781 96 96 VAL C C 176.594 0.3 1 782 96 96 VAL CA C 62.173 0.3 1 783 96 96 VAL CB C 31.261 0.3 1 784 96 96 VAL CG1 C 21.805 0.3 1 785 96 96 VAL CG2 C 21.805 0.3 1 786 96 96 VAL N N 127.179 0.3 1 787 97 97 TYR H H 8.808 0.02 1 788 97 97 TYR HA H 5.334 0.02 1 789 97 97 TYR HB2 H 2.613 0.02 2 790 97 97 TYR HB3 H 3.356 0.02 2 791 97 97 TYR HD1 H 7.000 0.02 3 792 97 97 TYR C C 174.201 0.3 1 793 97 97 TYR CA C 56.396 0.3 1 794 97 97 TYR CB C 40.353 0.3 1 795 97 97 TYR N N 125.614 0.3 1 796 98 98 ARG H H 7.208 0.02 1 797 98 98 ARG HA H 4.438 0.02 1 798 98 98 ARG HB2 H 1.685 0.02 2 799 98 98 ARG HG2 H 1.431 0.02 2 800 98 98 ARG HG3 H 1.568 0.02 2 801 98 98 ARG HD2 H 3.120 0.02 2 802 98 98 ARG HE H 7.170 0.02 1 803 98 98 ARG C C 172.838 0.3 1 804 98 98 ARG CA C 56.717 0.3 1 805 98 98 ARG CB C 33.531 0.3 1 806 98 98 ARG CG C 27.268 0.3 1 807 98 98 ARG CD C 43.517 0.3 1 808 98 98 ARG N N 122.607 0.3 1 809 98 98 ARG NE N 83.750 0.3 1 810 99 99 ILE H H 8.564 0.02 1 811 99 99 ILE HA H 5.086 0.02 1 812 99 99 ILE HB H 1.691 0.02 1 813 99 99 ILE HG12 H 0.968 0.02 1 814 99 99 ILE HG13 H 1.442 0.02 1 815 99 99 ILE HG2 H 0.868 0.02 1 816 99 99 ILE HD1 H 0.802 0.02 1 817 99 99 ILE C C 175.043 0.3 1 818 99 99 ILE CA C 60.172 0.3 1 819 99 99 ILE CB C 40.645 0.3 1 820 99 99 ILE CG1 C 27.765 0.3 1 821 99 99 ILE CG2 C 17.439 0.3 1 822 99 99 ILE CD1 C 13.689 0.3 1 823 99 99 ILE N N 126.387 0.3 1 824 100 100 GLU H H 9.001 0.02 1 825 100 100 GLU HA H 4.836 0.02 1 826 100 100 GLU HB2 H 1.991 0.02 2 827 100 100 GLU HB3 H 2.186 0.02 2 828 100 100 GLU HG2 H 2.314 0.02 2 829 100 100 GLU HG3 H 2.257 0.02 2 830 100 100 GLU C C 174.621 0.3 1 831 100 100 GLU CA C 54.552 0.3 1 832 100 100 GLU CB C 33.912 0.3 1 833 100 100 GLU CG C 36.032 0.3 1 834 100 100 GLU N N 125.653 0.3 1 835 101 101 GLY H H 8.809 0.02 1 836 101 101 GLY HA2 H 4.664 0.02 2 837 101 101 GLY HA3 H 4.003 0.02 2 838 101 101 GLY C C 173.215 0.3 1 839 101 101 GLY CA C 45.130 0.3 1 840 101 101 GLY N N 111.742 0.3 1 841 102 102 ASP H H 8.312 0.02 1 842 102 102 ASP HA H 4.734 0.02 1 843 102 102 ASP HB2 H 2.681 0.02 2 844 102 102 ASP C C 176.449 0.3 1 845 102 102 ASP CA C 53.560 0.3 1 846 102 102 ASP CB C 41.040 0.3 1 847 102 102 ASP N N 120.479 0.3 1 848 103 103 GLU H H 8.817 0.02 1 849 103 103 GLU HA H 4.327 0.02 1 850 103 103 GLU HB2 H 2.173 0.02 2 851 103 103 GLU HB3 H 2.053 0.02 2 852 103 103 GLU HG2 H 2.246 0.02 2 853 103 103 GLU C C 176.625 0.3 1 854 103 103 GLU CA C 57.217 0.3 1 855 103 103 GLU CB C 29.916 0.3 1 856 103 103 GLU CG C 36.161 0.3 1 857 103 103 GLU N N 122.293 0.3 1 858 104 104 THR H H 8.467 0.02 1 859 104 104 THR HA H 4.474 0.02 1 860 104 104 THR HB H 4.182 0.02 1 861 104 104 THR HG2 H 1.231 0.02 1 862 104 104 THR C C 174.799 0.3 1 863 104 104 THR CA C 61.749 0.3 1 864 104 104 THR CB C 70.134 0.3 1 865 104 104 THR CG2 C 21.645 0.3 1 866 104 104 THR N N 113.108 0.3 1 867 105 105 SER H H 8.188 0.02 1 868 105 105 SER HA H 4.508 0.02 1 869 105 105 SER HB2 H 3.926 0.02 2 870 105 105 SER HB3 H 3.988 0.02 2 871 105 105 SER C C 174.608 0.3 1 872 105 105 SER CA C 58.887 0.3 1 873 105 105 SER CB C 63.820 0.3 1 874 105 105 SER N N 116.150 0.3 1 875 106 106 THR H H 8.224 0.02 1 876 106 106 THR HA H 4.380 0.02 1 877 106 106 THR HB H 4.363 0.02 1 878 106 106 THR HG2 H 1.172 0.02 1 879 106 106 THR C C 174.866 0.3 1 880 106 106 THR CA C 62.094 0.3 1 881 106 106 THR CB C 69.571 0.3 1 882 106 106 THR CG2 C 21.706 0.3 1 883 106 106 THR N N 113.646 0.3 1 884 107 107 GLU H H 8.208 0.02 1 885 107 107 GLU HA H 4.350 0.02 1 886 107 107 GLU HB2 H 2.093 0.02 2 887 107 107 GLU HB3 H 1.947 0.02 2 888 107 107 GLU HG2 H 2.253 0.02 2 889 107 107 GLU C C 175.898 0.3 1 890 107 107 GLU CA C 56.789 0.3 1 891 107 107 GLU CB C 30.310 0.3 1 892 107 107 GLU CG C 36.361 0.3 1 893 107 107 GLU N N 121.372 0.3 1 894 108 108 ALA H H 8.049 0.02 1 895 108 108 ALA HA H 4.293 0.02 1 896 108 108 ALA HB H 1.392 0.02 1 897 108 108 ALA C C 177.316 0.3 1 898 108 108 ALA CA C 52.394 0.3 1 899 108 108 ALA CB C 19.238 0.3 1 900 108 108 ALA N N 123.026 0.3 1 901 109 109 ALA H H 8.132 0.02 1 902 109 109 ALA HA H 4.345 0.02 1 903 109 109 ALA HB H 1.435 0.02 1 904 109 109 ALA C C 177.724 0.3 1 905 109 109 ALA CA C 52.685 0.3 1 906 109 109 ALA CB C 19.260 0.3 1 907 109 109 ALA N N 122.013 0.3 1 908 110 110 THR H H 9.010 0.02 1 909 110 110 THR HA H 4.382 0.02 1 910 110 110 THR HB H 4.255 0.02 1 911 110 110 THR HG2 H 1.216 0.02 1 912 110 110 THR C C 174.857 0.3 1 913 110 110 THR CA C 62.685 0.3 1 914 110 110 THR CB C 69.917 0.3 1 915 110 110 THR CG2 C 21.878 0.3 1 916 110 110 THR N N 115.016 0.3 1 917 111 111 ARG H H 8.413 0.02 1 918 111 111 ARG HA H 4.781 0.02 1 919 111 111 ARG HB2 H 1.649 0.02 2 920 111 111 ARG HG2 H 1.439 0.02 2 921 111 111 ARG HG3 H 1.559 0.02 2 922 111 111 ARG HD2 H 3.134 0.02 2 923 111 111 ARG HD3 H 3.084 0.02 2 924 111 111 ARG HE H 7.275 0.02 1 925 111 111 ARG C C 175.071 0.3 1 926 111 111 ARG CA C 55.383 0.3 1 927 111 111 ARG CB C 33.307 0.3 1 928 111 111 ARG CG C 27.333 0.3 1 929 111 111 ARG CD C 43.349 0.3 1 930 111 111 ARG N N 125.863 0.3 1 931 111 111 ARG NE N 84.042 0.3 1 932 112 112 LEU H H 8.586 0.02 1 933 112 112 LEU HA H 5.062 0.02 1 934 112 112 LEU HB2 H 1.375 0.02 2 935 112 112 LEU HG H 1.437 0.02 1 936 112 112 LEU HD1 H 0.813 0.02 2 937 112 112 LEU HD2 H 0.813 0.02 2 938 112 112 LEU C C 175.155 0.3 1 939 112 112 LEU CA C 53.655 0.3 1 940 112 112 LEU CB C 47.635 0.3 1 941 112 112 LEU CG C 27.114 0.3 1 942 112 112 LEU CD1 C 24.405 0.3 1 943 112 112 LEU CD2 C 25.039 0.3 1 944 112 112 LEU N N 123.005 0.3 1 945 113 113 SER H H 8.653 0.02 1 946 113 113 SER HA H 5.136 0.02 1 947 113 113 SER HB2 H 3.757 0.02 2 948 113 113 SER HB3 H 3.167 0.02 2 949 113 113 SER C C 172.130 0.3 1 950 113 113 SER CA C 57.180 0.3 1 951 113 113 SER CB C 65.642 0.3 1 952 113 113 SER N N 114.417 0.3 1 953 114 114 ALA H H 8.975 0.02 1 954 114 114 ALA HA H 4.938 0.02 1 955 114 114 ALA HB H 0.719 0.02 1 956 114 114 ALA C C 174.799 0.3 1 957 114 114 ALA CA C 50.302 0.3 1 958 114 114 ALA CB C 20.719 0.3 1 959 114 114 ALA N N 126.170 0.3 1 960 115 115 TYR H H 8.663 0.02 1 961 115 115 TYR HA H 5.182 0.02 1 962 115 115 TYR HB2 H 2.301 0.02 2 963 115 115 TYR HB3 H 2.076 0.02 2 964 115 115 TYR HD1 H 6.972 0.02 3 965 115 115 TYR HE1 H 6.560 0.02 3 966 115 115 TYR C C 174.763 0.3 1 967 115 115 TYR CA C 56.510 0.3 1 968 115 115 TYR CB C 38.273 0.3 1 969 115 115 TYR N N 121.343 0.3 1 970 116 116 VAL H H 9.114 0.02 1 971 116 116 VAL HA H 5.004 0.02 1 972 116 116 VAL HB H 1.808 0.02 1 973 116 116 VAL HG1 H 0.354 0.02 2 974 116 116 VAL HG2 H 0.779 0.02 2 975 116 116 VAL C C 174.006 0.3 1 976 116 116 VAL CA C 59.680 0.3 1 977 116 116 VAL CB C 35.897 0.3 1 978 116 116 VAL CG1 C 20.866 0.3 2 979 116 116 VAL CG2 C 21.617 0.3 1 980 116 116 VAL N N 123.281 0.3 1 981 117 117 SER H H 8.582 0.02 1 982 117 117 SER HA H 5.401 0.02 1 983 117 117 SER HB2 H 3.696 0.02 2 984 117 117 SER CA C 55.383 0.3 1 985 117 117 SER CB C 65.021 0.3 1 986 117 117 SER N N 118.682 0.3 1 987 118 118 TYR HA H 4.990 0.02 1 988 118 118 TYR C C 176.745 0.3 1 989 118 118 TYR CA C 55.189 0.3 1 990 119 119 GLY H H 8.755 0.02 1 991 119 119 GLY HA2 H 3.838 0.02 2 992 119 119 GLY HA3 H 3.946 0.02 2 993 119 119 GLY C C 174.807 0.3 1 994 119 119 GLY CA C 47.328 0.3 1 995 119 119 GLY N N 113.225 0.3 1 996 121 121 LEU C C 175.431 0.3 1 997 121 121 LEU CA C 52.941 0.3 1 998 121 121 LEU CB C 44.820 0.3 1 999 122 122 LEU H H 9.177 0.02 1 1000 122 122 LEU HA H 5.075 0.02 1 1001 122 122 LEU HB2 H 1.664 0.02 2 1002 122 122 LEU HB3 H 1.763 0.02 2 1003 122 122 LEU HG H 1.597 0.02 1 1004 122 122 LEU HD1 H 0.819 0.02 2 1005 122 122 LEU HD2 H 1.017 0.02 2 1006 122 122 LEU C C 175.898 0.3 1 1007 122 122 LEU CA C 55.229 0.3 1 1008 122 122 LEU CB C 44.514 0.3 1 1009 122 122 LEU CG C 27.250 0.3 1 1010 122 122 LEU CD1 C 23.742 0.3 1 1011 122 122 LEU CD2 C 25.039 0.3 1 1012 122 122 LEU N N 124.955 0.3 1 1013 123 123 MET H H 8.836 0.02 1 1014 123 123 MET HA H 5.463 0.02 1 1015 123 123 MET HB2 H 2.245 0.02 2 1016 123 123 MET HB3 H 2.174 0.02 2 1017 123 123 MET HG2 H 2.067 0.02 2 1018 123 123 MET HG3 H 2.620 0.02 2 1019 123 123 MET CA C 53.963 0.3 1 1020 123 123 MET CB C 38.785 0.3 1 1021 123 123 MET CG C 33.622 0.3 1 1022 123 123 MET N N 119.877 0.3 1 1023 124 124 ARG H H 9.373 0.02 1 1024 124 124 ARG HA H 4.954 0.02 1 1025 124 124 ARG HB2 H 1.205 0.02 2 1026 124 124 ARG HB3 H 1.631 0.02 2 1027 124 124 ARG C C 174.764 0.3 1 1028 124 124 ARG CA C 55.094 0.3 1 1029 124 124 ARG CB C 32.343 0.3 1 1030 124 124 ARG N N 127.302 0.3 1 1031 125 125 LEU H H 8.946 0.02 1 1032 125 125 LEU HA H 5.155 0.02 1 1033 125 125 LEU HB2 H 0.932 0.02 2 1034 125 125 LEU HB3 H 1.383 0.02 2 1035 125 125 LEU HG H 1.050 0.02 1 1036 125 125 LEU HD1 H 0.131 0.02 2 1037 125 125 LEU HD2 H 0.655 0.02 2 1038 125 125 LEU C C 173.467 0.3 1 1039 125 125 LEU CA C 53.122 0.3 1 1040 125 125 LEU CB C 45.575 0.3 1 1041 125 125 LEU CG C 26.547 0.3 1 1042 125 125 LEU CD1 C 25.700 0.3 1 1043 125 125 LEU CD2 C 24.200 0.3 1 1044 125 125 LEU N N 132.695 0.3 1 1045 126 126 GLN H H 9.180 0.02 1 1046 126 126 GLN HA H 5.676 0.02 1 1047 126 126 GLN HB2 H 2.328 0.02 2 1048 126 126 GLN HB3 H 1.944 0.02 2 1049 126 126 GLN HG2 H 1.775 0.02 2 1050 126 126 GLN HE21 H 7.498 0.02 2 1051 126 126 GLN HE22 H 6.844 0.02 2 1052 126 126 GLN C C 174.406 0.3 1 1053 126 126 GLN CA C 53.529 0.3 1 1054 126 126 GLN CB C 34.549 0.3 1 1055 126 126 GLN CG C 34.282 0.3 1 1056 126 126 GLN CD C 177.181 0.3 1 1057 126 126 GLN N N 125.582 0.3 1 1058 126 126 GLN NE2 N 112.618 0.3 1 1059 127 127 GLY H H 8.415 0.02 1 1060 127 127 GLY HA2 H 3.959 0.02 2 1061 127 127 GLY HA3 H 4.667 0.02 2 1062 127 127 GLY C C 170.988 0.3 1 1063 127 127 GLY CA C 45.306 0.3 1 1064 127 127 GLY N N 111.633 0.3 1 1065 128 128 ASP H H 8.512 0.02 1 1066 128 128 ASP HA H 4.519 0.02 1 1067 128 128 ASP HB2 H 2.696 0.02 2 1068 128 128 ASP HB3 H 2.835 0.02 2 1069 128 128 ASP C C 177.517 0.3 1 1070 128 128 ASP CA C 55.505 0.3 1 1071 128 128 ASP CB C 41.683 0.3 1 1072 128 128 ASP N N 121.434 0.3 1 1073 129 129 ALA H H 8.476 0.02 1 1074 129 129 ALA HA H 3.705 0.02 1 1075 129 129 ALA HB H 1.284 0.02 1 1076 129 129 ALA C C 179.226 0.3 1 1077 129 129 ALA CA C 55.242 0.3 1 1078 129 129 ALA CB C 19.226 0.3 1 1079 129 129 ALA N N 126.811 0.3 1 1080 130 130 ASN H H 8.892 0.02 1 1081 130 130 ASN HA H 4.290 0.02 1 1082 130 130 ASN HB2 H 2.731 0.02 2 1083 130 130 ASN HB3 H 2.780 0.02 2 1084 130 130 ASN HD21 H 7.881 0.02 2 1085 130 130 ASN HD22 H 6.979 0.02 2 1086 130 130 ASN C C 176.792 0.3 1 1087 130 130 ASN CA C 55.763 0.3 1 1088 130 130 ASN CB C 38.137 0.3 1 1089 130 130 ASN CG C 176.612 0.3 1 1090 130 130 ASN N N 114.057 0.3 1 1091 130 130 ASN ND2 N 114.585 0.3 1 1092 131 131 ASN H H 7.852 0.02 1 1093 131 131 ASN HA H 4.804 0.02 1 1094 131 131 ASN HB2 H 2.508 0.02 2 1095 131 131 ASN HB3 H 2.726 0.02 2 1096 131 131 ASN HD21 H 7.231 0.02 2 1097 131 131 ASN HD22 H 7.146 0.02 2 1098 131 131 ASN C C 175.001 0.3 1 1099 131 131 ASN CA C 53.974 0.3 1 1100 131 131 ASN CB C 39.905 0.3 1 1101 131 131 ASN CG C 177.185 0.3 1 1102 131 131 ASN N N 115.046 0.3 1 1103 131 131 ASN ND2 N 113.636 0.3 1 1104 132 132 LEU H H 7.259 0.02 1 1105 132 132 LEU HA H 4.679 0.02 1 1106 132 132 LEU HB2 H 1.314 0.02 2 1107 132 132 LEU HB3 H 1.475 0.02 2 1108 132 132 LEU HG H 1.045 0.02 1 1109 132 132 LEU HD1 H 0.048 0.02 2 1110 132 132 LEU HD2 H 0.365 0.02 2 1111 132 132 LEU C C 176.837 0.3 1 1112 132 132 LEU CA C 53.721 0.3 1 1113 132 132 LEU CB C 42.867 0.3 1 1114 132 132 LEU CG C 26.440 0.3 1 1115 132 132 LEU CD1 C 23.363 0.3 1 1116 132 132 LEU CD2 C 26.578 0.3 1 1117 132 132 LEU N N 118.583 0.3 1 1118 133 133 HIS H H 7.932 0.02 1 1119 133 133 HIS HA H 4.553 0.02 1 1120 133 133 HIS HB2 H 3.302 0.02 2 1121 133 133 HIS HB3 H 3.360 0.02 2 1122 133 133 HIS HD2 H 7.253 0.02 1 1123 133 133 HIS HE2 H 7.353 0.02 1 1124 133 133 HIS C C 175.381 0.3 1 1125 133 133 HIS CA C 57.495 0.3 1 1126 133 133 HIS CB C 28.784 0.3 1 1127 133 133 HIS N N 119.653 0.3 1 1128 134 134 GLY H H 8.818 0.02 1 1129 134 134 GLY HA2 H 3.799 0.02 2 1130 134 134 GLY C C 173.676 0.3 1 1131 134 134 GLY CA C 45.347 0.3 1 1132 134 134 GLY N N 108.365 0.3 1 1133 135 135 PHE H H 7.600 0.02 1 1134 135 135 PHE HA H 4.215 0.02 1 1135 135 135 PHE HB2 H 3.193 0.02 2 1136 135 135 PHE HB3 H 2.462 0.02 2 1137 135 135 PHE HD1 H 6.959 0.02 3 1138 135 135 PHE C C 174.339 0.3 1 1139 135 135 PHE CA C 58.801 0.3 1 1140 135 135 PHE CB C 39.074 0.3 1 1141 135 135 PHE N N 119.271 0.3 1 1142 136 136 GLU H H 7.837 0.02 1 1143 136 136 GLU HA H 4.601 0.02 1 1144 136 136 GLU HB2 H 1.794 0.02 2 1145 136 136 GLU HB3 H 1.961 0.02 2 1146 136 136 GLU HG2 H 2.169 0.02 2 1147 136 136 GLU C C 176.081 0.3 1 1148 136 136 GLU CA C 54.251 0.3 1 1149 136 136 GLU CB C 32.741 0.3 1 1150 136 136 GLU CG C 35.837 0.3 1 1151 136 136 GLU N N 126.835 0.3 1 1152 137 137 VAL H H 8.904 0.02 1 1153 137 137 VAL HA H 3.276 0.02 1 1154 137 137 VAL HB H 1.924 0.02 1 1155 137 137 VAL HG1 H 0.911 0.02 2 1156 137 137 VAL HG2 H 0.964 0.02 2 1157 137 137 VAL C C 175.976 0.3 1 1158 137 137 VAL CA C 65.960 0.3 1 1159 137 137 VAL CB C 31.255 0.3 1 1160 137 137 VAL CG1 C 23.315 0.3 1 1161 137 137 VAL CG2 C 21.568 0.3 1 1162 137 137 VAL N N 125.081 0.3 1 1163 138 138 ASP H H 8.857 0.02 1 1164 138 138 ASP HA H 4.328 0.02 1 1165 138 138 ASP HB2 H 2.949 0.02 2 1166 138 138 ASP HB3 H 3.124 0.02 2 1167 138 138 ASP C C 175.381 0.3 1 1168 138 138 ASP CA C 57.237 0.3 1 1169 138 138 ASP CB C 39.109 0.3 1 1170 138 138 ASP N N 120.675 0.3 1 1171 139 139 SER H H 7.861 0.02 1 1172 139 139 SER HA H 4.493 0.02 1 1173 139 139 SER HB2 H 3.921 0.02 2 1174 139 139 SER HB3 H 3.840 0.02 2 1175 139 139 SER C C 173.281 0.3 1 1176 139 139 SER CA C 59.264 0.3 1 1177 139 139 SER CB C 64.419 0.3 1 1178 139 139 SER N N 115.194 0.3 1 1179 140 140 ARG H H 8.596 0.02 1 1180 140 140 ARG HA H 4.999 0.02 1 1181 140 140 ARG HB2 H 1.552 0.02 2 1182 140 140 ARG HB3 H 1.792 0.02 2 1183 140 140 ARG HG2 H 1.442 0.02 2 1184 140 140 ARG HG3 H 1.658 0.02 2 1185 140 140 ARG HD2 H 3.002 0.02 2 1186 140 140 ARG HD3 H 3.075 0.02 2 1187 140 140 ARG HE H 7.058 0.02 1 1188 140 140 ARG C C 176.592 0.3 1 1189 140 140 ARG CA C 55.163 0.3 1 1190 140 140 ARG CB C 30.410 0.3 1 1191 140 140 ARG CG C 27.308 0.3 1 1192 140 140 ARG CD C 43.333 0.3 1 1193 140 140 ARG N N 123.005 0.3 1 1194 140 140 ARG NE N 84.998 0.3 1 1195 141 141 VAL H H 8.196 0.02 1 1196 141 141 VAL HA H 4.871 0.02 1 1197 141 141 VAL HB H 1.906 0.02 1 1198 141 141 VAL HG1 H 0.475 0.02 2 1199 141 141 VAL HG2 H 0.445 0.02 2 1200 141 141 VAL C C 173.080 0.3 1 1201 141 141 VAL CA C 58.513 0.3 1 1202 141 141 VAL CB C 36.387 0.3 1 1203 141 141 VAL CG1 C 22.668 0.3 1 1204 141 141 VAL CG2 C 18.121 0.3 1 1205 141 141 VAL N N 114.439 0.3 1 1206 142 142 TYR H H 9.237 0.02 1 1207 142 142 TYR HA H 5.254 0.02 1 1208 142 142 TYR HB2 H 2.528 0.02 2 1209 142 142 TYR HD1 H 6.695 0.02 3 1210 142 142 TYR HE1 H 6.553 0.02 3 1211 142 142 TYR C C 174.343 0.3 1 1212 142 142 TYR CA C 57.258 0.3 1 1213 142 142 TYR CB C 40.889 0.3 1 1214 142 142 TYR N N 118.533 0.3 1 1215 143 143 LEU H H 9.067 0.02 1 1216 143 143 LEU HA H 4.852 0.02 1 1217 143 143 LEU HB2 H 1.561 0.02 2 1218 143 143 LEU HG H 1.588 0.02 1 1219 143 143 LEU HD1 H 0.721 0.02 2 1220 143 143 LEU HD2 H 0.721 0.02 2 1221 143 143 LEU C C 174.358 0.3 1 1222 143 143 LEU CA C 53.954 0.3 1 1223 143 143 LEU CB C 43.286 0.3 1 1224 143 143 LEU CG C 25.876 0.3 1 1225 143 143 LEU CD1 C 23.784 0.3 1 1226 143 143 LEU CD2 C 24.941 0.3 1 1227 143 143 LEU N N 124.154 0.3 1 1228 144 144 LEU H H 8.926 0.02 1 1229 144 144 LEU HA H 4.882 0.02 1 1230 144 144 LEU HB2 H 2.405 0.02 2 1231 144 144 LEU HB3 H 2.672 0.02 2 1232 144 144 LEU C C 175.426 0.3 1 1233 144 144 LEU CA C 53.923 0.3 1 1234 144 144 LEU CB C 44.908 0.3 1 1235 144 144 LEU CG C 26.828 0.3 1 1236 144 144 LEU CD1 C 24.986 0.3 1 1237 144 144 LEU CD2 C 23.692 0.3 1 1238 144 144 LEU N N 125.014 0.3 1 1239 146 146 LYS H H 8.838 0.02 1 1240 146 146 LYS HA H 4.985 0.02 1 1241 146 146 LYS HB2 H 1.893 0.02 2 1242 146 146 LYS HG2 H 1.521 0.02 2 1243 146 146 LYS HD2 H 1.610 0.02 2 1244 146 146 LYS HD3 H 1.532 0.02 2 1245 146 146 LYS HE2 H 2.925 0.02 2 1246 146 146 LYS CA C 55.574 0.3 1 1247 146 146 LYS CB C 37.106 0.3 1 1248 146 146 LYS CG C 24.559 0.3 1 1249 146 146 LYS CD C 29.300 0.3 1 1250 146 146 LYS CE C 42.155 0.3 1 1251 146 146 LYS N N 122.742 0.3 1 1252 147 147 LYS H H 9.169 0.02 1 1253 147 147 LYS HA H 4.565 0.02 1 1254 147 147 LYS HB2 H 1.915 0.02 2 1255 147 147 LYS HG2 H 1.433 0.02 2 1256 147 147 LYS HG3 H 1.619 0.02 2 1257 147 147 LYS HD2 H 1.627 0.02 2 1258 147 147 LYS HE2 H 2.809 0.02 2 1259 147 147 LYS HE3 H 2.754 0.02 2 1260 147 147 LYS C C 176.371 0.3 1 1261 147 147 LYS CA C 58.066 0.3 1 1262 147 147 LYS CB C 33.078 0.3 1 1263 147 147 LYS CG C 25.832 0.3 1 1264 147 147 LYS CD C 29.394 0.3 1 1265 147 147 LYS CE C 41.954 0.3 1 1266 147 147 LYS N N 129.463 0.3 1 1267 148 148 LEU H H 8.457 0.02 1 1268 148 148 LEU HA H 4.570 0.02 1 1269 148 148 LEU HB2 H 1.472 0.02 2 1270 148 148 LEU HG H 0.926 0.02 1 1271 148 148 LEU HD1 H 0.884 0.02 2 1272 148 148 LEU C C 175.879 0.3 1 1273 148 148 LEU CA C 54.005 0.3 1 1274 148 148 LEU CB C 42.877 0.3 1 1275 148 148 LEU CG C 26.445 0.3 1 1276 148 148 LEU CD1 C 23.298 0.3 1 1277 148 148 LEU N N 125.766 0.3 1 1278 149 149 ALA H H 8.246 0.02 1 1279 149 149 ALA HA H 4.394 0.02 1 1280 149 149 ALA HB H 1.334 0.02 1 1281 149 149 ALA C C 176.147 0.3 1 1282 149 149 ALA CA C 52.138 0.3 1 1283 149 149 ALA CB C 19.759 0.3 1 1284 149 149 ALA N N 125.409 0.3 1 1285 150 150 PHE H H 7.657 0.02 1 1286 150 150 PHE HA H 4.411 0.02 1 1287 150 150 PHE HB2 H 3.001 0.02 2 1288 150 150 PHE HB3 H 3.170 0.02 2 1289 150 150 PHE HD1 H 7.246 0.02 3 1290 150 150 PHE C C 179.974 0.3 1 1291 150 150 PHE CA C 58.863 0.3 1 1292 150 150 PHE CB C 40.130 0.3 1 1293 150 150 PHE N N 123.693 0.3 1 stop_ save_