data_4558 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Assignments for YopH-NT ; _BMRB_accession_number 4558 _BMRB_flat_file_name bmr4558.str _Entry_type original _Submission_date 1999-12-12 _Accession_date 1999-12-13 _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 Khandelwal P. . . 2 Keliikuli Kai E. . 3 Smit C. L. . 4 Saper M. A. . 5 Zuiderweg Erik R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 436 "13C chemical shifts" 432 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-06-26 update author 'chemical shifts updated' 2000-05-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the editor: 1H, 15N and 13C Assignments of the N-terminal Domain of Yersinia outer Protein H in its apo form and in Complex with a Phosphotyrosine Peptide ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21544931 _PubMed_ID 11693571 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Khandelwal P. . . 2 Keliikuli Kai E. . 3 Smit C. L. . 4 Saper M. A. . 5 Zuiderweg Erik R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 21 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 69 _Page_last 70 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_YopH-NT _Saveframe_category molecular_system _Mol_system_name 'YopH-NT monomer' _Abbreviation_common YopH-NT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YopH-NT $YopH-NT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YopH-NT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'YopH N-terminal domain' _Abbreviation_common YopH-NT _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; MNLSLSDLHRQVSRLVQQES GDCTGKLRGNVAANKETTFQ GLTIASGARESEKVFAQTVL SHVANVVLTQEDTAKLLQST VKHNLNNYDLRSVGNGNSVL VSLRSDQMTLQDAKVLLEAA LRQESGARGSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LEU 4 SER 5 LEU 6 SER 7 ASP 8 LEU 9 HIS 10 ARG 11 GLN 12 VAL 13 SER 14 ARG 15 LEU 16 VAL 17 GLN 18 GLN 19 GLU 20 SER 21 GLY 22 ASP 23 CYS 24 THR 25 GLY 26 LYS 27 LEU 28 ARG 29 GLY 30 ASN 31 VAL 32 ALA 33 ALA 34 ASN 35 LYS 36 GLU 37 THR 38 THR 39 PHE 40 GLN 41 GLY 42 LEU 43 THR 44 ILE 45 ALA 46 SER 47 GLY 48 ALA 49 ARG 50 GLU 51 SER 52 GLU 53 LYS 54 VAL 55 PHE 56 ALA 57 GLN 58 THR 59 VAL 60 LEU 61 SER 62 HIS 63 VAL 64 ALA 65 ASN 66 VAL 67 VAL 68 LEU 69 THR 70 GLN 71 GLU 72 ASP 73 THR 74 ALA 75 LYS 76 LEU 77 LEU 78 GLN 79 SER 80 THR 81 VAL 82 LYS 83 HIS 84 ASN 85 LEU 86 ASN 87 ASN 88 TYR 89 ASP 90 LEU 91 ARG 92 SER 93 VAL 94 GLY 95 ASN 96 GLY 97 ASN 98 SER 99 VAL 100 LEU 101 VAL 102 SER 103 LEU 104 ARG 105 SER 106 ASP 107 GLN 108 MET 109 THR 110 LEU 111 GLN 112 ASP 113 ALA 114 LYS 115 VAL 116 LEU 117 LEU 118 GLU 119 ALA 120 ALA 121 LEU 122 ARG 123 GLN 124 GLU 125 SER 126 GLY 127 ALA 128 ARG 129 GLY 130 SER 131 HIS 132 HIS 133 HIS 134 HIS 135 HIS 136 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-15 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 1HUF "Crystal Structure Of The N-Terminal Domain Of The Tyrosine Phosphatase Yoph From Yersinia Pestis" 99.26 140 99.26 99.26 2.02e-88 PDB 1K46 "Crystal Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Reveals A Domain-Swapped Dimer" 100.00 136 100.00 100.00 9.19e-91 PDB 1M0V "Nmr Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Complexed With The Skap-Hom Phospho-Peptide N-Acetyl- Depyddpf-" 100.00 136 100.00 100.00 9.19e-91 EMBL CNJ69380 "putative protein-tyrosine phosphatase Yop effector [Yersinia enterocolitica]" 94.85 475 98.45 100.00 2.75e-80 GB KJG82311 "hypothetical protein RN24_21490, partial [Yersinia pestis subsp. microtus bv. Ulegeica]" 55.15 75 100.00 100.00 2.35e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YopH-NT . 633 Eukaryota . Yersinia pseudotuberculosis 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 $YopH-NT '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 $YopH-NT 0.8 mM '[U-90% 2H; U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YopH-NT . mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model . _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 n/a temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_set_1 _Chem_shift_reference_set_label $chemical_shift_reference_set_1 _Mol_system_component_name YopH-NT _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 . 3 LEU N N 125.675 . 1 2 . 3 LEU H H 8.369 . 1 3 . 3 LEU CA C 53.866 . 1 4 . 3 LEU HA H 4.654 . 1 5 . 3 LEU CB C 42.354 . 1 6 . 3 LEU HB2 H 1.740 . 1 7 . 3 LEU C C 177.142 . 1 8 . 4 SER N N 123.259 . 1 9 . 4 SER H H 9.142 . 1 10 . 4 SER CA C 56.565 . 1 11 . 4 SER HA H 4.523 . 1 12 . 4 SER CB C 64.081 . 1 13 . 4 SER C C 173.658 . 1 14 . 5 LEU N N 124.818 . 1 15 . 5 LEU H H 8.767 . 1 16 . 5 LEU CA C 57.671 . 1 17 . 5 LEU HA H 3.527 . 1 18 . 5 LEU CB C 39.866 . 1 19 . 5 LEU HB3 H 1.870 . 2 20 . 5 LEU HB2 H 1.560 . 2 21 . 5 LEU CG C 26.533 . 1 22 . 5 LEU HG H 1.360 . 1 23 . 5 LEU CD1 C 24.300 . 2 24 . 5 LEU HD1 H 0.900 . 2 25 . 5 LEU CD2 C 22.570 . 2 26 . 5 LEU HD2 H 0.740 . 2 27 . 5 LEU C C 177.719 . 1 28 . 6 SER N N 113.683 . 1 29 . 6 SER H H 8.379 . 1 30 . 6 SER CA C 61.235 . 1 31 . 6 SER HA H 4.143 . 1 32 . 6 SER CB C 59.360 . 1 33 . 6 SER C C 176.995 . 1 34 . 7 ASP N N 125.674 . 1 35 . 7 ASP H H 7.958 . 1 36 . 7 ASP CA C 56.648 . 1 37 . 7 ASP HA H 4.583 . 1 38 . 7 ASP CB C 40.447 . 1 39 . 7 ASP HB3 H 3.000 . 1 40 . 7 ASP HB2 H 3.000 . 1 41 . 7 ASP C C 177.833 . 1 42 . 8 LEU N N 123.533 . 1 43 . 8 LEU H H 8.643 . 1 44 . 8 LEU CA C 57.527 . 1 45 . 8 LEU HA H 3.989 . 1 46 . 8 LEU CB C 40.779 . 1 47 . 8 LEU HB3 H 1.450 . 2 48 . 8 LEU HB2 H 1.720 . 2 49 . 8 LEU CG C 26.300 . 1 50 . 8 LEU HG H 1.480 . 1 51 . 8 LEU CD1 C 22.330 . 1 52 . 8 LEU HD1 H 0.780 . 2 53 . 8 LEU HD2 H 0.400 . 2 54 . 8 LEU C C 178.114 . 1 55 . 9 HIS N N 119.053 . 1 56 . 9 HIS H H 8.571 . 1 57 . 9 HIS CA C 60.638 . 1 58 . 9 HIS HA H 3.931 . 1 59 . 9 HIS CB C 30.330 . 1 60 . 9 HIS HB3 H 3.050 . 2 61 . 9 HIS HB2 H 3.360 . 2 62 . 9 HIS C C 177.402 . 1 63 . 10 ARG N N 125.855 . 1 64 . 10 ARG H H 8.508 . 1 65 . 10 ARG CA C 59.159 . 1 66 . 10 ARG HA H 3.841 . 1 67 . 10 ARG CB C 28.658 . 1 68 . 10 ARG HB3 H 1.910 . 2 69 . 10 ARG HB2 H 2.000 . 2 70 . 10 ARG CG C 25.600 . 1 71 . 10 ARG HG3 H 1.810 . 2 72 . 10 ARG HG2 H 1.740 . 2 73 . 10 ARG CD C 42.400 . 1 74 . 10 ARG HD3 H 3.300 . 2 75 . 10 ARG HD2 H 3.310 . 2 76 . 10 ARG C C 178.854 . 1 77 . 11 GLN N N 120.107 . 1 78 . 11 GLN H H 8.145 . 1 79 . 11 GLN CA C 59.047 . 1 80 . 11 GLN HA H 4.085 . 1 81 . 11 GLN CB C 27.260 . 1 82 . 11 GLN C C 179.426 . 1 83 . 12 VAL N N 121.156 . 1 84 . 12 VAL H H 8.322 . 1 85 . 12 VAL CA C 66.050 . 1 86 . 12 VAL HA H 3.507 . 1 87 . 12 VAL CB C 31.139 . 1 88 . 12 VAL HB H 2.180 . 1 89 . 12 VAL CG2 C 21.170 . 1 90 . 12 VAL HG1 H 1.060 . 2 91 . 12 VAL CG1 C 23.270 . 2 92 . 12 VAL HG2 H 1.300 . 2 93 . 12 VAL C C 176.911 . 1 94 . 13 SER N N 116.681 . 1 95 . 13 SER H H 8.607 . 1 96 . 13 SER CA C 62.019 . 1 97 . 13 SER HA H 3.753 . 1 98 . 13 SER CB C 61.380 . 1 99 . 13 SER HB3 H 3.720 . 1 100 . 13 SER HB2 H 3.720 . 1 101 . 13 SER C C 176.083 . 1 102 . 14 ARG N N 123.719 . 1 103 . 14 ARG H H 7.723 . 1 104 . 14 ARG CA C 58.090 . 1 105 . 14 ARG HA H 4.400 . 1 106 . 14 ARG CB C 28.160 . 1 107 . 14 ARG HB3 H 1.940 . 2 108 . 14 ARG HB2 H 1.770 . 2 109 . 14 ARG CG C 23.740 . 1 110 . 14 ARG HG3 H 1.500 . 1 111 . 14 ARG HG2 H 1.500 . 1 112 . 14 ARG CD C 41.000 . 1 113 . 14 ARG HD3 H 3.100 . 1 114 . 14 ARG HD2 H 3.100 . 1 115 . 14 ARG C C 177.977 . 1 116 . 15 LEU N N 120.963 . 1 117 . 15 LEU H H 7.234 . 1 118 . 15 LEU CA C 57.003 . 1 119 . 15 LEU HA H 4.121 . 1 120 . 15 LEU CB C 41.724 . 1 121 . 15 LEU C C 179.252 . 1 122 . 16 VAL N N 121.517 . 1 123 . 16 VAL H H 8.065 . 1 124 . 16 VAL CA C 65.473 . 1 125 . 16 VAL HA H 3.517 . 1 126 . 16 VAL CB C 30.247 . 1 127 . 16 VAL HB H 2.200 . 1 128 . 16 VAL CG2 C 23.430 . 1 129 . 16 VAL HG1 H 1.230 . 1 130 . 16 VAL CG1 C 23.270 . 1 131 . 16 VAL HG2 H 1.000 . 2 132 . 16 VAL C C 178.083 . 1 133 . 17 GLN N N 121.502 . 1 134 . 17 GLN H H 7.712 . 1 135 . 17 GLN CA C 56.910 . 1 136 . 17 GLN HA H 4.210 . 1 137 . 17 GLN CB C 27.700 . 1 138 . 17 GLN HB3 H 2.340 . 1 139 . 17 GLN HB2 H 2.340 . 1 140 . 17 GLN CG C 33.000 . 1 141 . 17 GLN HG3 H 2.330 . 2 142 . 17 GLN HG2 H 2.630 . 2 143 . 18 GLN N N 119.315 . 1 144 . 18 GLN H H 7.518 . 1 145 . 18 GLN CA C 55.212 . 1 146 . 18 GLN HA H 4.449 . 1 147 . 18 GLN CB C 28.084 . 1 148 . 18 GLN HB3 H 2.340 . 1 149 . 18 GLN HB2 H 2.340 . 1 150 . 18 GLN CG C 33.760 . 1 151 . 18 GLN HG3 H 2.580 . 1 152 . 18 GLN HG2 H 2.580 . 1 153 . 18 GLN C C 175.046 . 1 154 . 19 GLU N N 116.681 . 1 155 . 19 GLU H H 7.865 . 1 156 . 19 GLU CA C 55.602 . 1 157 . 19 GLU HA H 4.531 . 1 158 . 19 GLU CB C 25.840 . 1 159 . 19 GLU HB3 H 2.260 . 2 160 . 19 GLU HB2 H 2.370 . 2 161 . 19 GLU CG C 35.600 . 1 162 . 19 GLU HG3 H 2.180 . 2 163 . 19 GLU HG2 H 2.370 . 2 164 . 19 GLU C C 175.970 . 1 165 . 20 SER N N 115.396 . 1 166 . 20 SER H H 7.694 . 1 167 . 20 SER CA C 57.061 . 1 168 . 20 SER HA H 4.889 . 1 169 . 20 SER CB C 62.754 . 1 170 . 20 SER HB3 H 3.960 . 2 171 . 20 SER HB2 H 4.000 . 2 172 . 20 SER C C 175.253 . 1 173 . 21 GLY N N 111.724 . 1 174 . 21 GLY H H 8.957 . 1 175 . 21 GLY CA C 46.438 . 1 176 . 21 GLY C C 173.078 . 1 177 . 22 ASP N N 118.592 . 1 178 . 22 ASP H H 8.337 . 1 179 . 22 ASP CA C 54.012 . 1 180 . 22 ASP HA H 4.860 . 1 181 . 22 ASP CB C 40.032 . 1 182 . 22 ASP HB2 H 2.800 . 2 183 . 22 ASP C C 176.235 . 1 184 . 23 CYS N N 119.679 . 1 185 . 23 CYS H H 7.468 . 1 186 . 23 CYS CA C 58.249 . 1 187 . 23 CYS HA H 4.787 . 1 188 . 23 CYS CB C 28.860 . 1 189 . 23 CYS HB3 H 3.180 . 2 190 . 23 CYS HB2 H 3.245 . 2 191 . 23 CYS C C 174.891 . 1 192 . 24 THR N N 115.996 . 1 193 . 24 THR H H 9.121 . 1 194 . 24 THR CA C 60.236 . 1 195 . 24 THR HA H 4.715 . 1 196 . 24 THR CB C 67.647 . 1 197 . 24 THR HB H 4.500 . 1 198 . 24 THR CG2 C 23.700 . 1 199 . 24 THR HG2 H 1.352 . 1 200 . 24 THR C C 174.475 . 1 201 . 25 GLY N N 107.259 . 1 202 . 25 GLY H H 7.861 . 1 203 . 25 GLY CA C 42.523 . 1 204 . 25 GLY C C 171.754 . 1 205 . 26 LYS N N 120.107 . 1 206 . 26 LYS H H 8.141 . 1 207 . 26 LYS CA C 53.698 . 1 208 . 26 LYS HA H 4.515 . 1 209 . 26 LYS CB C 34.022 . 1 210 . 26 LYS C C 174.874 . 1 211 . 27 LEU N N 126.959 . 1 212 . 27 LEU H H 8.251 . 1 213 . 27 LEU CA C 53.323 . 1 214 . 27 LEU HA H 4.995 . 1 215 . 27 LEU CB C 44.510 . 1 216 . 27 LEU C C 172.988 . 1 217 . 28 ARG N N 130.719 . 1 218 . 28 ARG H H 7.565 . 1 219 . 28 ARG CA C 55.492 . 1 220 . 28 ARG HA H 4.458 . 1 221 . 28 ARG CB C 29.800 . 1 222 . 28 ARG HB3 H 1.980 . 2 223 . 28 ARG HB2 H 1.770 . 2 224 . 28 ARG CG C 26.300 . 1 225 . 28 ARG HG3 H 1.510 . 2 226 . 28 ARG HG2 H 1.350 . 2 227 . 28 ARG CD C 42.380 . 1 228 . 28 ARG HD2 H 3.290 . 2 229 . 28 ARG C C 175.066 . 1 230 . 30 ASN N N 120.367 . 1 231 . 30 ASN H H 7.669 . 1 232 . 30 ASN CA C 50.744 . 1 233 . 30 ASN HA H 5.037 . 1 234 . 30 ASN CB C 39.590 . 1 235 . 30 ASN HB3 H 2.900 . 1 236 . 30 ASN HB2 H 2.900 . 1 237 . 30 ASN C C 174.040 . 1 238 . 31 VAL N N 122.676 . 1 239 . 31 VAL H H 8.620 . 1 240 . 31 VAL CA C 61.365 . 1 241 . 31 VAL HA H 4.674 . 1 242 . 31 VAL CB C 31.408 . 1 243 . 31 VAL CG2 C 23.100 . 2 244 . 31 VAL CG1 C 21.860 . 2 245 . 32 ALA N N 131.902 . 1 246 . 32 ALA H H 9.002 . 1 247 . 32 ALA CA C 49.428 . 1 248 . 32 ALA HA H 4.701 . 1 249 . 32 ALA CB C 21.954 . 1 250 . 32 ALA HB H 1.360 . 1 251 . 32 ALA C C 174.537 . 1 252 . 33 ALA N N 123.105 . 1 253 . 33 ALA H H 8.547 . 1 254 . 33 ALA CA C 49.607 . 1 255 . 33 ALA HA H 4.636 . 1 256 . 33 ALA CB C 19.300 . 1 257 . 33 ALA HB H 1.290 . 1 258 . 33 ALA C C 176.601 . 1 259 . 34 ASN N N 122.248 . 1 260 . 34 ASN H H 8.869 . 1 261 . 34 ASN CA C 51.867 . 1 262 . 34 ASN HA H 4.183 . 1 263 . 34 ASN CB C 36.881 . 1 264 . 34 ASN HB2 H 3.200 . 1 265 . 34 ASN C C 174.774 . 1 266 . 35 LYS N N 128.123 . 1 267 . 35 LYS H H 8.562 . 1 268 . 35 LYS CA C 54.796 . 1 269 . 35 LYS HA H 4.628 . 1 270 . 35 LYS CB C 30.993 . 1 271 . 35 LYS C C 176.440 . 1 272 . 36 GLU N N 121.820 . 1 273 . 36 GLU H H 8.231 . 1 274 . 36 GLU CA C 57.382 . 1 275 . 36 GLU HA H 4.376 . 1 276 . 36 GLU CB C 30.470 . 1 277 . 36 GLU HB2 H 2.230 . 9 278 . 36 GLU CG C 35.390 . 1 279 . 36 GLU HG2 H 2.340 . 9 280 . 36 GLU C C 176.179 . 1 281 . 37 THR N N 113.499 . 1 282 . 37 THR H H 7.490 . 1 283 . 37 THR CA C 58.829 . 1 284 . 37 THR HA H 4.751 . 1 285 . 37 THR CB C 69.962 . 1 286 . 37 THR HB H 4.310 . 1 287 . 37 THR CG2 C 21.150 . 1 288 . 37 THR HG2 H 1.230 . 1 289 . 37 THR C C 173.278 . 1 290 . 38 THR N N 113.794 . 1 291 . 38 THR H H 7.990 . 1 292 . 38 THR CA C 59.533 . 1 293 . 38 THR HA H 4.617 . 1 294 . 38 THR CB C 70.480 . 1 295 . 38 THR HB H 4.310 . 1 296 . 38 THR CG2 C 21.170 . 1 297 . 38 THR HG2 H 1.290 . 1 298 . 38 THR C C 174.802 . 1 299 . 39 PHE N N 122.306 . 1 300 . 39 PHE H H 8.939 . 1 301 . 39 PHE CA C 58.906 . 1 302 . 39 PHE HA H 4.012 . 1 303 . 39 PHE CB C 37.378 . 1 304 . 39 PHE C C 174.757 . 1 305 . 40 GLN N N 129.529 . 1 306 . 40 GLN H H 7.970 . 1 307 . 40 GLN CA C 53.331 . 1 308 . 40 GLN HA H 4.248 . 1 309 . 40 GLN CB C 31.900 . 1 310 . 40 GLN HB3 H 2.270 . 2 311 . 40 GLN HB2 H 2.320 . 2 312 . 40 GLN CG C 30.000 . 1 313 . 40 GLN HG3 H 2.720 . 2 314 . 40 GLN HG2 H 2.650 . 2 315 . 40 GLN C C 173.946 . 1 316 . 42 LEU N N 119.679 . 1 317 . 42 LEU H H 7.865 . 1 318 . 42 LEU CA C 53.340 . 1 319 . 42 LEU HA H 4.204 . 1 320 . 42 LEU CB C 41.276 . 1 321 . 42 LEU C C 177.288 . 1 322 . 43 THR N N 112.826 . 1 323 . 43 THR H H 7.953 . 1 324 . 43 THR CA C 58.833 . 1 325 . 43 THR HA H 4.862 . 1 326 . 43 THR CB C 69.700 . 1 327 . 43 THR C C 178.247 . 1 328 . 44 ILE N N 126.959 . 1 329 . 44 ILE H H 9.721 . 1 330 . 44 ILE CA C 62.773 . 1 331 . 44 ILE HA H 4.252 . 1 332 . 44 ILE CB C 35.554 . 1 333 . 44 ILE HB H 2.170 . 1 334 . 44 ILE CG1 C 26.000 . 1 335 . 44 ILE HG13 H 1.000 . 2 336 . 44 ILE HG12 H 1.700 . 1 337 . 44 ILE CD1 C 10.200 . 1 338 . 44 ILE HD1 H 0.880 . 1 339 . 44 ILE CG2 C 16.280 . 1 340 . 44 ILE HG2 H 1.000 . 1 341 . 44 ILE C C 178.502 . 1 342 . 45 ALA N N 123.533 . 1 343 . 45 ALA H H 8.108 . 1 344 . 45 ALA CA C 53.471 . 1 345 . 45 ALA HA H 4.318 . 1 346 . 45 ALA CB C 17.148 . 1 347 . 45 ALA HB H 1.650 . 9 348 . 45 ALA C C 178.216 . 1 349 . 46 SER N N 113.683 . 1 350 . 46 SER H H 7.853 . 1 351 . 46 SER CA C 55.651 . 1 352 . 46 SER HA H 4.500 . 1 353 . 46 SER CB C 63.086 . 1 354 . 46 SER HB3 H 3.900 . 1 355 . 46 SER HB2 H 3.900 . 1 356 . 46 SER C C 173.276 . 1 357 . 47 GLY N N 108.799 . 1 358 . 47 GLY H H 7.493 . 1 359 . 47 GLY CA C 44.826 . 1 360 . 47 GLY C C 175.345 . 1 361 . 48 ALA N N 128.244 . 1 362 . 48 ALA H H 8.259 . 1 363 . 48 ALA CA C 51.356 . 1 364 . 48 ALA HA H 4.295 . 1 365 . 48 ALA CB C 16.564 . 1 366 . 48 ALA HB H 0.930 . 9 367 . 48 ALA C C 175.978 . 1 368 . 49 ARG N N 122.676 . 1 369 . 49 ARG H H 9.586 . 1 370 . 49 ARG CA C 51.710 . 1 371 . 49 ARG HA H 4.410 . 1 372 . 49 ARG CB C 29.796 . 1 373 . 49 ARG HB3 H 1.900 . 2 374 . 49 ARG HB2 H 1.990 . 2 375 . 49 ARG CG C 26.300 . 1 376 . 49 ARG HG2 H 1.510 . 2 377 . 49 ARG CD C 42.380 . 1 378 . 49 ARG HD3 H 3.310 . 2 379 . 49 ARG HD2 H 3.290 . 2 380 . 49 ARG C C 178.486 . 1 381 . 50 GLU N N 127.387 . 1 382 . 50 GLU H H 9.198 . 1 383 . 50 GLU CA C 59.424 . 1 384 . 50 GLU HA H 4.106 . 1 385 . 50 GLU CB C 27.740 . 1 386 . 50 GLU CG C 34.940 . 1 387 . 51 SER N N 114.539 . 1 388 . 51 SER H H 8.769 . 1 389 . 51 SER CA C 60.247 . 1 390 . 52 GLU N N 128.419 . 1 391 . 52 GLU H H 7.359 . 1 392 . 52 GLU CA C 58.159 . 1 393 . 52 GLU HA H 4.340 . 1 394 . 52 GLU CB C 29.018 . 1 395 . 52 GLU HB3 H 2.170 . 2 396 . 52 GLU HB2 H 2.230 . 2 397 . 52 GLU CG C 35.160 . 1 398 . 52 GLU HG3 H 2.370 . 2 399 . 52 GLU HG2 H 2.400 . 2 400 . 52 GLU C C 178.635 . 1 401 . 53 LYS N N 126.348 . 1 402 . 53 LYS H H 7.699 . 1 403 . 53 LYS CA C 59.087 . 1 404 . 53 LYS HA H 4.340 . 1 405 . 53 LYS CB C 31.574 . 1 406 . 53 LYS HB2 H 1.770 . 1 407 . 53 LYS CG C 25.900 . 1 408 . 53 LYS CD C 27.460 . 1 409 . 53 LYS CE C 41.960 . 1 410 . 53 LYS C C 178.116 . 1 411 . 54 VAL N N 120.107 . 1 412 . 54 VAL H H 8.719 . 1 413 . 54 VAL CA C 65.548 . 1 414 . 54 VAL HA H 3.859 . 1 415 . 54 VAL CB C 30.960 . 1 416 . 54 VAL HB H 2.420 . 1 417 . 54 VAL CG2 C 22.100 . 2 418 . 54 VAL HG1 H 1.310 . 2 419 . 54 VAL CG1 C 20.720 . 2 420 . 54 VAL HG2 H 1.080 . 2 421 . 54 VAL C C 179.996 . 1 422 . 55 PHE N N 124.389 . 1 423 . 55 PHE H H 7.687 . 1 424 . 55 PHE CA C 62.023 . 1 425 . 55 PHE HA H 4.019 . 1 426 . 55 PHE CB C 37.162 . 1 427 . 55 PHE C C 174.683 . 1 428 . 56 ALA N N 123.961 . 1 429 . 56 ALA H H 8.344 . 1 430 . 56 ALA CA C 54.622 . 1 431 . 56 ALA HA H 3.876 . 1 432 . 56 ALA CB C 17.061 . 1 433 . 56 ALA HB H 1.460 . 1 434 . 56 ALA C C 179.033 . 1 435 . 57 GLN N N 115.824 . 1 436 . 57 GLN H H 8.984 . 1 437 . 57 GLN CA C 57.277 . 1 438 . 57 GLN HA H 3.900 . 1 439 . 57 GLN CB C 26.921 . 1 440 . 57 GLN HB2 H 2.310 . 9 441 . 57 GLN CG C 33.340 . 1 442 . 57 GLN HG2 H 2.330 . 9 443 . 57 GLN C C 179.248 . 1 444 . 58 THR N N 121.945 . 1 445 . 58 THR H H 8.164 . 1 446 . 58 THR CA C 66.427 . 1 447 . 58 THR HA H 3.980 . 1 448 . 58 THR CB C 76.785 . 1 449 . 58 THR HB H 4.360 . 1 450 . 58 THR CG2 C 20.240 . 1 451 . 58 THR HG2 H 1.250 . 1 452 . 59 VAL N N 125.395 . 1 453 . 59 VAL H H 7.920 . 1 454 . 59 VAL CA C 67.203 . 1 455 . 59 VAL HA H 4.592 . 1 456 . 59 VAL CB C 29.510 . 1 457 . 59 VAL C C 177.265 . 1 458 . 60 LEU N N 120.107 . 1 459 . 60 LEU H H 7.971 . 1 460 . 60 LEU CA C 57.094 . 1 461 . 60 LEU HA H 3.970 . 1 462 . 60 LEU CB C 40.482 . 1 463 . 60 LEU HB3 H 1.520 . 2 464 . 60 LEU HB2 H 1.750 . 2 465 . 60 LEU CG C 25.370 . 1 466 . 60 LEU HG H 1.700 . 1 467 . 60 LEU CD1 C 23.500 . 1 468 . 60 LEU HD1 H 0.450 . 1 469 . 60 LEU CD2 C 20.710 . 2 470 . 60 LEU HD2 H 0.450 . 1 471 . 60 LEU C C 178.512 . 1 472 . 61 SER N N 115.824 . 1 473 . 61 SER H H 7.873 . 1 474 . 61 SER CA C 60.800 . 1 475 . 61 SER HA H 4.250 . 1 476 . 61 SER CB C 61.500 . 1 477 . 61 SER HB3 H 4.000 . 1 478 . 61 SER HB2 H 4.000 . 1 479 . 61 SER C C 176.443 . 1 480 . 62 HIS N N 121.392 . 1 481 . 62 HIS H H 7.460 . 1 482 . 62 HIS CA C 58.338 . 1 483 . 62 HIS HA H 4.627 . 1 484 . 62 HIS CB C 30.568 . 1 485 . 62 HIS HB2 H 2.480 . 1 486 . 62 HIS C C 176.408 . 1 487 . 63 VAL N N 113.104 . 1 488 . 63 VAL H H 7.583 . 1 489 . 63 VAL CA C 59.275 . 1 490 . 63 VAL HA H 4.753 . 1 491 . 63 VAL CB C 30.461 . 1 492 . 63 VAL C C 175.631 . 1 493 . 64 ALA N N 129.529 . 1 494 . 64 ALA H H 7.382 . 1 495 . 64 ALA CA C 53.461 . 1 496 . 64 ALA HA H 4.401 . 1 497 . 64 ALA CB C 17.037 . 1 498 . 64 ALA HB H 1.460 . 1 499 . 64 ALA C C 178.118 . 1 500 . 65 ASN N N 117.109 . 1 501 . 65 ASN H H 8.851 . 1 502 . 65 ASN CA C 53.231 . 1 503 . 65 ASN HA H 4.542 . 1 504 . 65 ASN CB C 37.378 . 1 505 . 65 ASN HB2 H 3.050 . 1 506 . 65 ASN C C 173.743 . 1 507 . 66 VAL N N 123.533 . 1 508 . 66 VAL H H 7.499 . 1 509 . 66 VAL CA C 60.918 . 1 510 . 66 VAL HA H 4.147 . 1 511 . 66 VAL CB C 31.849 . 1 512 . 66 VAL HB H 2.120 . 1 513 . 66 VAL CG2 C 21.840 . 2 514 . 66 VAL CG1 C 19.960 . 2 515 . 66 VAL HG2 H 1.000 . 2 516 . 66 VAL C C 174.200 . 1 517 . 67 VAL N N 128.813 . 1 518 . 67 VAL H H 8.166 . 1 519 . 67 VAL CA C 62.611 . 1 520 . 67 VAL HA H 3.984 . 1 521 . 67 VAL CB C 30.859 . 1 522 . 67 VAL HB H 1.970 . 1 523 . 67 VAL CG2 C 21.170 . 1 524 . 67 VAL HG1 H 0.880 . 2 525 . 67 VAL CG1 C 20.700 . 1 526 . 67 VAL HG2 H 0.980 . 2 527 . 67 VAL C C 174.457 . 1 528 . 68 LEU N N 131.242 . 1 529 . 68 LEU H H 9.257 . 1 530 . 68 LEU CA C 51.943 . 1 531 . 68 LEU HA H 4.890 . 1 532 . 68 LEU CB C 41.442 . 1 533 . 68 LEU C C 177.114 . 1 534 . 69 THR N N 116.851 . 1 535 . 69 THR H H 9.193 . 1 536 . 69 THR CA C 59.623 . 1 537 . 69 THR HA H 5.014 . 1 538 . 69 THR CB C 73.580 . 1 539 . 69 THR C C 176.134 . 1 540 . 70 GLN N N 122.766 . 1 541 . 70 GLN H H 8.865 . 1 542 . 70 GLN CA C 58.137 . 1 543 . 70 GLN HA H 4.181 . 1 544 . 70 GLN CB C 27.470 . 1 545 . 70 GLN HB3 H 2.290 . 2 546 . 70 GLN HB2 H 2.270 . 2 547 . 70 GLN CG C 33.500 . 1 548 . 70 GLN HG3 H 2.610 . 2 549 . 70 GLN HG2 H 2.530 . 2 550 . 70 GLN C C 178.077 . 1 551 . 71 GLU N N 120.963 . 1 552 . 71 GLU H H 8.006 . 1 553 . 71 GLU CA C 58.615 . 1 554 . 71 GLU HA H 4.117 . 1 555 . 71 GLU CB C 28.505 . 1 556 . 71 GLU HB2 H 1.930 . 1 557 . 71 GLU CG C 36.040 . 1 558 . 71 GLU HG2 H 2.350 . 1 559 . 71 GLU C C 178.523 . 1 560 . 72 ASP N N 122.306 . 1 561 . 72 ASP H H 7.526 . 1 562 . 72 ASP CA C 56.878 . 1 563 . 72 ASP HA H 4.280 . 1 564 . 72 ASP CB C 41.200 . 1 565 . 72 ASP HB3 H 2.400 . 1 566 . 72 ASP HB2 H 2.400 . 1 567 . 72 ASP C C 178.256 . 1 568 . 73 THR N N 113.255 . 1 569 . 73 THR H H 8.582 . 1 570 . 73 THR CA C 65.279 . 1 571 . 73 THR HA H 3.711 . 1 572 . 73 THR CB C 66.511 . 1 573 . 73 THR HB H 4.260 . 1 574 . 73 THR CG2 C 21.880 . 1 575 . 73 THR C C 176.875 . 1 576 . 74 ALA N N 127.387 . 1 577 . 74 ALA H H 8.174 . 1 578 . 74 ALA CA C 54.364 . 1 579 . 74 ALA HA H 4.207 . 1 580 . 74 ALA CB C 16.597 . 1 581 . 74 ALA HB H 1.570 . 1 582 . 74 ALA C C 180.585 . 1 583 . 75 LYS N N 120.301 . 1 584 . 75 LYS H H 7.372 . 1 585 . 75 LYS CA C 58.656 . 1 586 . 75 LYS HA H 4.135 . 1 587 . 75 LYS CB C 31.849 . 1 588 . 75 LYS HB3 H 1.750 . 2 589 . 75 LYS HB2 H 1.880 . 2 590 . 75 LYS CG C 23.740 . 1 591 . 75 LYS HG3 H 1.230 . 2 592 . 75 LYS HG2 H 1.360 . 2 593 . 75 LYS CD C 28.400 . 1 594 . 75 LYS HD3 H 1.690 . 1 595 . 75 LYS HD2 H 1.690 . 1 596 . 75 LYS CE C 41.000 . 1 597 . 75 LYS HE2 H 3.000 . 2 598 . 75 LYS C C 179.758 . 1 599 . 76 LEU N N 122.339 . 1 600 . 76 LEU H H 7.576 . 1 601 . 76 LEU CA C 56.659 . 1 602 . 76 LEU HA H 4.155 . 1 603 . 76 LEU CB C 39.773 . 1 604 . 76 LEU C C 178.784 . 1 605 . 77 LEU N N 121.392 . 1 606 . 77 LEU H H 8.331 . 1 607 . 77 LEU CA C 56.376 . 1 608 . 77 LEU HA H 4.314 . 1 609 . 77 LEU C C 179.297 . 1 610 . 78 GLN N N 120.963 . 1 611 . 78 GLN H H 7.712 . 1 612 . 78 GLN CA C 57.793 . 1 613 . 78 GLN HA H 4.183 . 1 614 . 78 GLN CB C 27.178 . 1 615 . 78 GLN C C 178.450 . 1 616 . 79 SER N N 118.198 . 1 617 . 79 SER H H 7.636 . 1 618 . 79 SER CA C 59.954 . 1 619 . 79 SER HA H 4.389 . 1 620 . 79 SER CB C 61.650 . 1 621 . 79 SER HB3 H 4.000 . 1 622 . 79 SER HB2 H 4.000 . 1 623 . 79 SER C C 175.609 . 1 624 . 80 THR N N 120.107 . 1 625 . 80 THR H H 8.093 . 1 626 . 80 THR CA C 64.072 . 1 627 . 80 THR HA H 4.451 . 1 628 . 80 THR CB C 67.800 . 1 629 . 80 THR HB H 4.580 . 1 630 . 80 THR CG2 C 20.780 . 1 631 . 80 THR HG2 H 1.390 . 1 632 . 80 THR C C 176.413 . 1 633 . 81 VAL N N 122.865 . 1 634 . 81 VAL H H 7.851 . 1 635 . 81 VAL CA C 57.620 . 1 636 . 81 VAL HA H 3.912 . 1 637 . 81 VAL C C 177.844 . 1 638 . 88 TYR N N 118.394 . 1 639 . 88 TYR H H 7.652 . 1 640 . 88 TYR CA C 57.264 . 1 641 . 88 TYR HA H 4.864 . 1 642 . 88 TYR CB C 39.400 . 1 643 . 88 TYR C C 173.381 . 1 644 . 89 ASP N N 125.921 . 1 645 . 89 ASP H H 8.121 . 1 646 . 89 ASP CA C 52.717 . 1 647 . 89 ASP HA H 4.962 . 1 648 . 89 ASP CB C 39.269 . 1 649 . 89 ASP C C 173.789 . 1 650 . 90 LEU N N 126.959 . 1 651 . 90 LEU H H 8.055 . 1 652 . 90 LEU CA C 52.601 . 1 653 . 90 LEU HA H 5.218 . 1 654 . 90 LEU CB C 43.515 . 1 655 . 90 LEU C C 176.387 . 1 656 . 91 ARG N N 125.001 . 1 657 . 91 ARG H H 9.181 . 1 658 . 91 ARG CA C 52.738 . 1 659 . 91 ARG HA H 4.870 . 1 660 . 91 ARG CB C 31.660 . 1 661 . 91 ARG HB2 H 1.800 . 2 662 . 91 ARG CG C 26.300 . 1 663 . 91 ARG HG2 H 1.570 . 2 664 . 91 ARG CD C 42.380 . 1 665 . 91 ARG HD2 H 3.230 . 2 666 . 91 ARG C C 175.304 . 1 667 . 92 SER N N 122.248 . 1 668 . 92 SER H H 8.756 . 1 669 . 92 SER CA C 58.044 . 1 670 . 92 SER HA H 4.753 . 1 671 . 92 SER CB C 62.754 . 1 672 . 92 SER C C 176.012 . 1 673 . 93 VAL N N 121.392 . 1 674 . 93 VAL H H 8.185 . 1 675 . 93 VAL CA C 59.652 . 1 676 . 93 VAL HA H 4.780 . 1 677 . 93 VAL CB C 30.960 . 1 678 . 93 VAL HB H 2.530 . 1 679 . 93 VAL CG2 C 20.500 . 1 680 . 93 VAL HG1 H 1.200 . 2 681 . 93 VAL CG1 C 21.400 . 1 682 . 93 VAL HG2 H 1.000 . 1 683 . 93 VAL C C 175.509 . 1 684 . 94 GLY N N 112.611 . 1 685 . 94 GLY H H 7.724 . 1 686 . 94 GLY CA C 43.783 . 1 687 . 94 GLY C C 173.763 . 1 688 . 95 ASN N N 118.394 . 1 689 . 95 ASN H H 8.856 . 1 690 . 95 ASN CA C 53.525 . 1 691 . 95 ASN C C 174.270 . 1 692 . 96 GLY N N 107.259 . 1 693 . 96 GLY H H 8.311 . 1 694 . 96 GLY CA C 44.557 . 1 695 . 96 GLY C C 173.560 . 1 696 . 97 ASN N N 120.963 . 1 697 . 97 ASN H H 7.745 . 1 698 . 97 ASN CA C 51.669 . 1 699 . 97 ASN HA H 5.382 . 1 700 . 97 ASN CB C 39.535 . 1 701 . 97 ASN C C 176.472 . 1 702 . 98 SER N N 119.480 . 1 703 . 98 SER H H 9.242 . 1 704 . 98 SER CA C 57.559 . 1 705 . 98 SER HA H 5.726 . 1 706 . 98 SER CB C 66.984 . 1 707 . 98 SER HB2 H 3.760 . 1 708 . 98 SER C C 170.562 . 1 709 . 99 VAL N N 118.034 . 1 710 . 99 VAL H H 8.773 . 1 711 . 99 VAL CA C 59.209 . 1 712 . 99 VAL HA H 4.690 . 1 713 . 99 VAL CB C 34.559 . 1 714 . 99 VAL HB H 2.000 . 1 715 . 99 VAL CG2 C 20.470 . 1 716 . 99 VAL HG1 H 0.970 . 2 717 . 99 VAL CG1 C 18.850 . 1 718 . 99 VAL HG2 H 0.920 . 2 719 . 99 VAL C C 174.131 . 1 720 . 100 LEU N N 129.529 . 1 721 . 100 LEU H H 9.820 . 1 722 . 100 LEU CA C 53.705 . 1 723 . 100 LEU HA H 4.675 . 1 724 . 100 LEU CB C 41.193 . 1 725 . 100 LEU HB3 H 1.740 . 1 726 . 100 LEU HB2 H 1.740 . 1 727 . 100 LEU CG C 26.110 . 1 728 . 100 LEU CD1 C 25.100 . 2 729 . 100 LEU HD1 H 0.990 . 2 730 . 100 LEU C C 175.093 . 1 731 . 101 VAL N N 126.531 . 1 732 . 101 VAL H H 8.600 . 1 733 . 101 VAL CA C 62.532 . 1 734 . 101 VAL HA H 4.210 . 1 735 . 101 VAL CB C 31.673 . 1 736 . 101 VAL HB H 2.170 . 1 737 . 101 VAL CG1 C 19.500 . 1 738 . 101 VAL HG2 H 1.050 . 2 739 . 101 VAL C C 176.234 . 1 740 . 102 SER N N 112.398 . 1 741 . 102 SER H H 7.466 . 1 742 . 102 SER CA C 57.062 . 1 743 . 102 SER HA H 4.587 . 1 744 . 102 SER CB C 63.898 . 1 745 . 102 SER HB3 H 4.080 . 1 746 . 102 SER HB2 H 4.080 . 1 747 . 102 SER C C 171.573 . 1 748 . 103 LEU N N 121.392 . 1 749 . 103 LEU H H 8.559 . 1 750 . 103 LEU CA C 51.857 . 1 751 . 103 LEU HA H 5.310 . 1 752 . 103 LEU CB C 44.179 . 1 753 . 103 LEU CG C 26.300 . 1 754 . 103 LEU HG H 1.000 . 1 755 . 103 LEU CD1 C 23.600 . 2 756 . 103 LEU HD1 H 1.080 . 2 757 . 103 LEU CD2 C 23.430 . 2 758 . 103 LEU C C 177.937 . 1 759 . 104 ARG N N 120.268 . 1 760 . 104 ARG H H 8.015 . 1 761 . 104 ARG CA C 54.782 . 1 762 . 104 ARG HA H 4.430 . 1 763 . 104 ARG CB C 28.592 . 1 764 . 104 ARG C C 174.532 . 1 765 . 105 SER N N 117.109 . 1 766 . 105 SER H H 7.541 . 1 767 . 105 SER CA C 57.347 . 1 768 . 105 SER HA H 4.329 . 1 769 . 105 SER CB C 64.087 . 1 770 . 105 SER HB3 H 3.930 . 1 771 . 105 SER HB2 H 3.930 . 1 772 . 105 SER C C 171.766 . 1 773 . 106 ASP N N 118.822 . 1 774 . 106 ASP H H 8.223 . 1 775 . 106 ASP CA C 53.159 . 1 776 . 106 ASP HA H 5.170 . 1 777 . 106 ASP CB C 41.700 . 1 778 . 106 ASP HB3 H 3.100 . 1 779 . 106 ASP HB2 H 3.100 . 1 780 . 106 ASP C C 171.130 . 1 781 . 107 GLN N N 113.255 . 1 782 . 107 GLN H H 8.011 . 1 783 . 107 GLN CA C 53.222 . 1 784 . 107 GLN HA H 5.028 . 1 785 . 107 GLN CB C 35.057 . 1 786 . 107 GLN C C 174.618 . 1 787 . 108 MET N N 122.676 . 1 788 . 108 MET H H 9.337 . 1 789 . 108 MET CA C 53.961 . 1 790 . 108 MET HA H 4.761 . 1 791 . 108 MET CB C 36.830 . 1 792 . 108 MET C C 175.266 . 1 793 . 109 THR N N 119.414 . 1 794 . 109 THR H H 8.518 . 1 795 . 109 THR CA C 60.591 . 1 796 . 109 THR HA H 4.519 . 1 797 . 109 THR CB C 68.500 . 1 798 . 109 THR CG2 C 21.150 . 1 799 . 109 THR HG2 H 0.760 . 1 800 . 109 THR C C 175.406 . 1 801 . 110 LEU N N 125.246 . 1 802 . 110 LEU H H 8.566 . 1 803 . 110 LEU CA C 57.432 . 1 804 . 110 LEU HA H 4.031 . 1 805 . 110 LEU CB C 41.110 . 1 806 . 110 LEU C C 178.077 . 1 807 . 111 GLN N N 120.107 . 1 808 . 111 GLN H H 9.316 . 1 809 . 111 GLN CA C 57.758 . 1 810 . 111 GLN HA H 4.006 . 1 811 . 111 GLN CB C 27.095 . 1 812 . 111 GLN HB2 H 2.240 . 2 813 . 111 GLN CG C 32.940 . 1 814 . 111 GLN HG2 H 2.530 . 2 815 . 111 GLN C C 177.260 . 1 816 . 112 ASP N N 123.686 . 1 817 . 112 ASP H H 7.327 . 1 818 . 112 ASP CA C 56.097 . 1 819 . 112 ASP HA H 4.221 . 1 820 . 112 ASP CB C 37.739 . 1 821 . 112 ASP HB3 H 2.800 . 2 822 . 112 ASP HB2 H 2.900 . 2 823 . 112 ASP C C 177.835 . 1 824 . 113 ALA N N 122.676 . 1 825 . 113 ALA H H 8.241 . 1 826 . 113 ALA CA C 54.155 . 1 827 . 113 ALA HA H 4.147 . 1 828 . 113 ALA CB C 18.969 . 1 829 . 113 ALA HB H 1.760 . 1 830 . 113 ALA C C 178.530 . 1 831 . 114 LYS N N 120.963 . 1 832 . 114 LYS H H 8.268 . 1 833 . 114 LYS CA C 60.481 . 1 834 . 114 LYS HA H 3.742 . 1 835 . 114 LYS CB C 32.154 . 1 836 . 114 LYS HB2 H 2.250 . 2 837 . 114 LYS CE C 40.176 . 1 838 . 114 LYS C C 176.999 . 1 839 . 115 VAL N N 119.679 . 1 840 . 115 VAL H H 7.201 . 1 841 . 115 VAL CA C 65.068 . 1 842 . 115 VAL HA H 3.940 . 1 843 . 115 VAL CB C 30.960 . 1 844 . 115 VAL HB H 2.230 . 1 845 . 115 VAL CG2 C 20.000 . 2 846 . 115 VAL HG1 H 1.150 . 2 847 . 115 VAL CG1 C 21.910 . 2 848 . 115 VAL HG2 H 1.070 . 2 849 . 115 VAL C C 179.083 . 1 850 . 116 LEU N N 122.252 . 1 851 . 116 LEU H H 7.853 . 1 852 . 116 LEU CA C 57.053 . 1 853 . 116 LEU HA H 3.897 . 1 854 . 116 LEU CB C 40.364 . 1 855 . 116 LEU HB2 H 1.740 . 1 856 . 116 LEU CG C 27.500 . 1 857 . 116 LEU CD1 C 25.960 . 1 858 . 116 LEU HD1 H 0.840 . 1 859 . 116 LEU C C 177.824 . 1 860 . 117 LEU N N 118.822 . 1 861 . 117 LEU H H 9.001 . 1 862 . 117 LEU CA C 56.354 . 1 863 . 117 LEU HA H 3.995 . 1 864 . 117 LEU CB C 40.696 . 1 865 . 117 LEU C C 178.947 . 1 866 . 118 GLU N N 120.334 . 1 867 . 118 GLU H H 8.318 . 1 868 . 118 GLU CA C 59.108 . 1 869 . 118 GLU HA H 3.765 . 1 870 . 118 GLU CB C 27.095 . 1 871 . 118 GLU HB2 H 1.970 . 2 872 . 118 GLU CG C 37.600 . 1 873 . 118 GLU HG2 H 2.770 . 2 874 . 118 GLU C C 178.972 . 1 875 . 119 ALA N N 126.531 . 1 876 . 119 ALA H H 7.631 . 1 877 . 119 ALA CA C 54.289 . 1 878 . 119 ALA HA H 4.207 . 1 879 . 119 ALA CB C 16.980 . 1 880 . 119 ALA HB H 1.610 . 1 881 . 119 ALA C C 179.780 . 1 882 . 120 ALA N N 123.533 . 1 883 . 120 ALA H H 7.690 . 1 884 . 120 ALA CA C 54.202 . 1 885 . 120 ALA HA H 4.203 . 1 886 . 120 ALA CB C 17.242 . 1 887 . 120 ALA HB H 1.680 . 1 888 . 120 ALA C C 179.995 . 1 889 . 121 LEU N N 123.105 . 1 890 . 121 LEU H H 8.395 . 1 891 . 121 LEU CA C 56.754 . 1 892 . 121 LEU HA H 3.976 . 1 893 . 121 LEU CB C 41.193 . 1 894 . 121 LEU CG C 26.029 . 1 895 . 121 LEU CD1 C 23.780 . 2 896 . 121 LEU HD1 H 0.330 . 4 897 . 121 LEU CD2 C 22.403 . 2 898 . 121 LEU C C 178.828 . 1 899 . 122 ARG N N 122.676 . 1 900 . 122 ARG H H 7.768 . 1 901 . 122 ARG CA C 58.029 . 1 902 . 122 ARG HA H 4.114 . 1 903 . 122 ARG CB C 29.086 . 1 904 . 122 ARG HB3 H 2.400 . 2 905 . 122 ARG HB2 H 2.100 . 1 906 . 122 ARG CG C 26.800 . 1 907 . 122 ARG HG3 H 1.700 . 2 908 . 122 ARG HG2 H 1.930 . 1 909 . 122 ARG CD C 42.119 . 1 910 . 122 ARG HD3 H 3.370 . 1 911 . 122 ARG HD2 H 3.370 . 1 912 . 122 ARG C C 178.134 . 1 913 . 123 GLN N N 120.535 . 1 914 . 123 GLN H H 7.621 . 1 915 . 123 GLN CA C 56.808 . 1 916 . 123 GLN HA H 4.300 . 1 917 . 123 GLN CB C 27.886 . 1 918 . 123 GLN HB3 H 2.290 . 2 919 . 123 GLN HB2 H 2.390 . 2 920 . 123 GLN CG C 33.100 . 1 921 . 123 GLN HG3 H 2.570 . 2 922 . 123 GLN HG2 H 2.700 . 2 923 . 124 GLU N N 122.248 . 1 924 . 124 GLU H H 7.921 . 1 925 . 124 GLU CA C 57.052 . 1 926 . 124 GLU HA H 4.301 . 1 927 . 124 GLU CB C 28.920 . 1 928 . 124 GLU HB2 H 2.160 . 2 929 . 124 GLU CG C 35.420 . 1 930 . 124 GLU HG2 H 2.350 . 2 931 . 124 GLU C C 177.271 . 1 932 . 125 SER N N 117.109 . 1 933 . 125 SER H H 8.067 . 1 934 . 125 SER CA C 58.869 . 1 935 . 125 SER HA H 4.439 . 1 936 . 125 SER CB C 62.590 . 1 937 . 125 SER HB3 H 4.000 . 1 938 . 125 SER HB2 H 4.000 . 1 939 . 125 SER C C 175.547 . 1 940 . 126 GLY N N 112.398 . 1 941 . 126 GLY H H 8.066 . 1 942 . 126 GLY CA C 44.799 . 1 943 . 127 ALA N N 125.674 . 1 944 . 127 ALA H H 7.948 . 1 945 . 127 ALA CA C 51.939 . 1 946 . 127 ALA HA H 4.384 . 1 947 . 127 ALA CB C 17.696 . 1 948 . 127 ALA HB H 1.470 . 1 949 . 127 ALA C C 177.825 . 1 950 . 128 ARG N N 121.820 . 1 951 . 128 ARG H H 8.143 . 1 952 . 128 ARG CA C 55.563 . 1 953 . 128 ARG HA H 4.386 . 1 954 . 128 ARG CB C 29.583 . 1 955 . 128 ARG HB2 H 1.910 . 2 956 . 128 ARG CG C 26.490 . 1 957 . 128 ARG HG2 H 1.720 . 2 958 . 128 ARG CD C 42.230 . 1 959 . 128 ARG HD2 H 3.240 . 2 960 . 128 ARG C C 176.801 . 1 961 . 129 GLY N N 112.398 . 1 962 . 129 GLY H H 8.066 . 1 963 . 129 GLY CA C 44.799 . 1 964 . 129 GLY C C 174.156 . 1 965 . 130 SER H H 8.129 . 1 966 . 130 SER CA C 57.602 . 1 967 . 130 SER HA H 4.461 . 1 968 . 130 SER CB C 62.837 . 1 969 . 130 SER HB3 H 3.910 . 1 970 . 130 SER HB2 H 3.910 . 1 971 . 131 HIS N N 116.456 . 1 972 . 131 HIS H H 7.978 . 1 973 . 131 HIS CA C 55.278 . 1 974 . 131 HIS HA H 4.808 . 1 975 . 131 HIS CB C 29.465 . 1 976 . 131 HIS C C 174.467 . 1 977 . 132 HIS N N 119.578 . 1 978 . 132 HIS H H 8.019 . 1 979 . 132 HIS CA C 53.284 . 1 980 . 132 HIS HA H 4.531 . 1 981 . 132 HIS CB C 36.964 . 1 982 . 132 HIS C C 173.908 . 1 983 . 133 HIS N N 119.679 . 1 984 . 133 HIS H H 7.796 . 1 985 . 133 HIS CA C 54.279 . 1 986 . 133 HIS HA H 4.534 . 1 987 . 133 HIS C C 174.969 . 1 988 . 134 HIS N N 124.818 . 1 989 . 134 HIS H H 8.801 . 1 990 . 134 HIS CA C 51.673 . 1 991 . 134 HIS HA H 4.526 . 1 stop_ save_