data_7271 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 13C and 15N resonance assignments of AF2241 from Archaeoglobus fulgidus ; _BMRB_accession_number 7271 _BMRB_flat_file_name bmr7271.str _Entry_type original _Submission_date 2006-08-22 _Accession_date 2006-08-22 _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 Ai Xuanjun . . 2 Yee Adelinda . . 3 Arrowsmith Cheryl H. . 4 Li Shawn S.C . 5 Choy Wing-Yiu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 669 "13C chemical shifts" 501 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-08-21 update author 'complete the entry citation' 2007-03-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side chain 1H, 13C, and 15N resonance assignments of AF2241 from Archaeoglobus fulgidus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17206469 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ai Xuanjun . . 2 Semesi Anthony . . 3 Yee Adelinda . . 4 Arrowsmith Cheryl H. . 5 Li Shawn S.C. . 6 Choy Wing-Yiu . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 183 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AF2241 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AF2241 $AF2241 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AF2241 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Structural Proteomics protein AF2241' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; MGTSHHHHHHSSGRENLYFQ GHMGERGVEMRLRIRFESAE CEVELYEEWAPETVRAIADA LPIKSTANRWGDEIYFTTQV AVEKEENSKDVVELGDVAYW IPGKAICLFFGKTPISDDKI RPASAVNVIGRIVNSMEGLK GVADGESVVVERA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 THR 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 ARG 15 GLU 16 ASN 17 LEU 18 TYR 19 PHE 20 GLN 21 GLY 22 HIS 23 MET 24 GLY 25 GLU 26 ARG 27 GLY 28 VAL 29 GLU 30 MET 31 ARG 32 LEU 33 ARG 34 ILE 35 ARG 36 PHE 37 GLU 38 SER 39 ALA 40 GLU 41 CYS 42 GLU 43 VAL 44 GLU 45 LEU 46 TYR 47 GLU 48 GLU 49 TRP 50 ALA 51 PRO 52 GLU 53 THR 54 VAL 55 ARG 56 ALA 57 ILE 58 ALA 59 ASP 60 ALA 61 LEU 62 PRO 63 ILE 64 LYS 65 SER 66 THR 67 ALA 68 ASN 69 ARG 70 TRP 71 GLY 72 ASP 73 GLU 74 ILE 75 TYR 76 PHE 77 THR 78 THR 79 GLN 80 VAL 81 ALA 82 VAL 83 GLU 84 LYS 85 GLU 86 GLU 87 ASN 88 SER 89 LYS 90 ASP 91 VAL 92 VAL 93 GLU 94 LEU 95 GLY 96 ASP 97 VAL 98 ALA 99 TYR 100 TRP 101 ILE 102 PRO 103 GLY 104 LYS 105 ALA 106 ILE 107 CYS 108 LEU 109 PHE 110 PHE 111 GLY 112 LYS 113 THR 114 PRO 115 ILE 116 SER 117 ASP 118 ASP 119 LYS 120 ILE 121 ARG 122 PRO 123 ALA 124 SER 125 ALA 126 VAL 127 ASN 128 VAL 129 ILE 130 GLY 131 ARG 132 ILE 133 VAL 134 ASN 135 SER 136 MET 137 GLU 138 GLY 139 LEU 140 LYS 141 GLY 142 VAL 143 ALA 144 ASP 145 GLY 146 GLU 147 SER 148 VAL 149 VAL 150 VAL 151 GLU 152 ARG 153 ALA 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 2NNZ "Solution Structure Of The Hypothetical Protein Af2241 From Archaeoglobus Fulgidus" 100.00 153 100.00 100.00 6.21e-108 GB AAB89017 "predicted coding region AF_2241 [Archaeoglobus fulgidus DSM 4304]" 85.62 131 100.00 100.00 1.26e-88 GB AIG99248 "hypothetical protein AFULGI_00025340 [Archaeoglobus fulgidus DSM 8774]" 81.05 124 100.00 100.00 2.54e-83 REF NP_071066 "hypothetical protein AF2241 [Archaeoglobus fulgidus DSM 4304]" 85.62 131 100.00 100.00 1.26e-88 REF WP_010879730 "hypothetical protein [Archaeoglobus fulgidus]" 85.62 131 100.00 100.00 1.26e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AF2241 Archaea 2234 Archaea Euryarchaeota Archaeoglobaceae 'Archaeoglobus fulgidus' 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 $AF2241 '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 $AF2241 0.3 mM '[U-13C; U-15N]' NaCl 450 mM . MOPS 10 mM . Zn2+ 10 uM . DTT 10 mM . NaN3 0.01 % . 'Inhibitor mixture' 1 x . benzamidine 1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityINOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H13CHSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13CHSQC _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label $sample_1 save_ save_15N_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label $sample_1 save_ save_13C_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_(HB)CB(CGCDCE)HE_12 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H13CHSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H13CHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_(HB)CB(CGCD)HD _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _BMRB_pulse_sequence_accession_number . _Details . save_ save_(HB)CB(CGCDCE)HE _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.01 pH temperature 298 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name AF2241 _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 25 GLU HA H 4.311 0.02 1 2 3 25 GLU HB2 H 1.968 0.02 1 3 3 25 GLU HB3 H 1.968 0.02 1 4 3 25 GLU HG2 H 2.283 0.02 1 5 3 25 GLU HG3 H 2.283 0.02 1 6 3 25 GLU C C 173.564 0.3 1 7 3 25 GLU CA C 56.526 0.3 1 8 3 25 GLU CB C 30.359 0.3 1 9 3 25 GLU CG C 36.351 0.3 1 10 4 26 ARG H H 8.465 0.02 1 11 4 26 ARG HA H 4.358 0.02 1 12 4 26 ARG HB2 H 1.843 0.02 2 13 4 26 ARG HB3 H 1.730 0.02 2 14 4 26 ARG HG2 H 1.615 0.02 1 15 4 26 ARG HG3 H 1.615 0.02 1 16 4 26 ARG HD2 H 3.094 0.02 1 17 4 26 ARG HD3 H 3.094 0.02 1 18 4 26 ARG C C 176.665 0.3 1 19 4 26 ARG CA C 56.030 0.3 1 20 4 26 ARG CB C 30.981 0.3 1 21 4 26 ARG CG C 27.075 0.3 1 22 4 26 ARG CD C 43.215 0.3 1 23 4 26 ARG N N 121.397 0.25 1 24 5 27 GLY H H 8.473 0.02 1 25 5 27 GLY HA2 H 3.957 0.02 2 26 5 27 GLY HA3 H 4.060 0.02 2 27 5 27 GLY C C 173.922 0.3 1 28 5 27 GLY CA C 45.165 0.3 1 29 5 27 GLY N N 109.956 0.25 1 30 6 28 VAL H H 8.253 0.02 1 31 6 28 VAL HA H 4.141 0.02 1 32 6 28 VAL HB H 2.101 0.02 1 33 6 28 VAL HG1 H 0.941 0.02 2 34 6 28 VAL HG2 H 0.941 0.02 2 35 6 28 VAL C C 176.069 0.3 1 36 6 28 VAL CA C 62.533 0.3 1 37 6 28 VAL CB C 32.614 0.3 1 38 6 28 VAL CG1 C 21.066 0.3 1 39 6 28 VAL CG2 C 21.066 0.3 1 40 6 28 VAL N N 119.390 0.25 1 41 7 29 GLU H H 8.740 0.02 1 42 7 29 GLU HA H 4.680 0.02 1 43 7 29 GLU HB2 H 2.004 0.02 2 44 7 29 GLU HB3 H 1.912 0.02 2 45 7 29 GLU HG2 H 2.250 0.02 2 46 7 29 GLU HG3 H 2.338 0.02 2 47 7 29 GLU C C 175.401 0.3 1 48 7 29 GLU CA C 56.079 0.3 1 49 7 29 GLU CB C 30.881 0.3 1 50 7 29 GLU CG C 35.973 0.3 1 51 7 29 GLU N N 125.690 0.25 1 52 8 30 MET H H 8.696 0.02 1 53 8 30 MET HA H 4.638 0.02 1 54 8 30 MET HB2 H 2.047 0.02 2 55 8 30 MET HB3 H 1.879 0.02 2 56 8 30 MET HG2 H 2.343 0.02 2 57 8 30 MET HG3 H 2.204 0.02 2 58 8 30 MET C C 175.091 0.3 1 59 8 30 MET CA C 54.807 0.3 1 60 8 30 MET CB C 33.747 0.3 1 61 8 30 MET CG C 31.738 0.3 1 62 8 30 MET N N 123.026 0.25 1 63 9 31 ARG H H 8.578 0.02 1 64 9 31 ARG HA H 5.235 0.02 1 65 9 31 ARG HB2 H 1.887 0.02 2 66 9 31 ARG HB3 H 1.767 0.02 2 67 9 31 ARG HG2 H 1.577 0.02 2 68 9 31 ARG HG3 H 1.488 0.02 2 69 9 31 ARG HD2 H 3.219 0.02 1 70 9 31 ARG HD3 H 3.219 0.02 1 71 9 31 ARG C C 175.520 0.3 1 72 9 31 ARG CA C 54.702 0.3 1 73 9 31 ARG CB C 31.589 0.3 1 74 9 31 ARG CG C 28.142 0.3 1 75 9 31 ARG CD C 43.249 0.3 1 76 9 31 ARG N N 126.555 0.25 1 77 10 32 LEU H H 9.337 0.02 1 78 10 32 LEU HA H 5.086 0.02 1 79 10 32 LEU HB2 H 1.523 0.02 2 80 10 32 LEU HB3 H 1.309 0.02 2 81 10 32 LEU HG H 1.465 0.02 1 82 10 32 LEU HD1 H 0.638 0.02 2 83 10 32 LEU HD2 H 0.751 0.02 2 84 10 32 LEU C C 175.234 0.3 1 85 10 32 LEU CA C 52.889 0.3 1 86 10 32 LEU CB C 44.318 0.3 1 87 10 32 LEU CD1 C 25.230 0.3 1 88 10 32 LEU CD2 C 24.300 0.3 1 89 10 32 LEU N N 124.907 0.25 1 90 11 33 ARG H H 9.270 0.02 1 91 11 33 ARG HA H 4.925 0.02 1 92 11 33 ARG HB2 H 1.795 0.02 2 93 11 33 ARG HB3 H 1.652 0.02 2 94 11 33 ARG HG2 H 1.391 0.02 1 95 11 33 ARG HG3 H 1.391 0.02 1 96 11 33 ARG HD2 H 3.222 0.02 1 97 11 33 ARG HD3 H 3.222 0.02 1 98 11 33 ARG C C 174.375 0.3 1 99 11 33 ARG CA C 54.819 0.3 1 100 11 33 ARG CB C 32.813 0.3 1 101 11 33 ARG CG C 27.523 0.3 1 102 11 33 ARG CD C 43.295 0.3 1 103 11 33 ARG N N 122.716 0.25 1 104 12 34 ILE H H 8.924 0.02 1 105 12 34 ILE HA H 4.590 0.02 1 106 12 34 ILE HB H 1.976 0.02 1 107 12 34 ILE HG12 H 1.571 0.02 1 108 12 34 ILE HG13 H 1.029 0.02 1 109 12 34 ILE HG2 H 0.176 0.02 1 110 12 34 ILE HD1 H 0.893 0.02 1 111 12 34 ILE C C 173.969 0.3 1 112 12 34 ILE CA C 61.008 0.3 1 113 12 34 ILE CB C 37.313 0.3 1 114 12 34 ILE CG1 C 27.330 0.3 1 115 12 34 ILE CG2 C 18.926 0.3 1 116 12 34 ILE CD1 C 14.449 0.3 1 117 12 34 ILE N N 125.549 0.25 1 118 13 35 ARG H H 8.982 0.02 1 119 13 35 ARG HA H 4.267 0.02 1 120 13 35 ARG HB2 H 1.636 0.02 1 121 13 35 ARG HB3 H 1.636 0.02 1 122 13 35 ARG HG2 H 1.371 0.02 1 123 13 35 ARG HG3 H 1.371 0.02 1 124 13 35 ARG HD2 H 3.054 0.02 1 125 13 35 ARG HD3 H 3.054 0.02 1 126 13 35 ARG C C 175.592 0.3 1 127 13 35 ARG CA C 55.514 0.3 1 128 13 35 ARG CB C 32.531 0.3 1 129 13 35 ARG N N 126.193 0.25 1 130 14 36 PHE H H 8.594 0.02 1 131 14 36 PHE HA H 5.651 0.02 1 132 14 36 PHE HB2 H 3.897 0.02 2 133 14 36 PHE HB3 H 2.983 0.02 2 134 14 36 PHE HD1 H 6.917 0.02 3 135 14 36 PHE C C 175.115 0.3 1 136 14 36 PHE CA C 56.212 0.3 1 137 14 36 PHE CB C 38.995 0.3 1 138 14 36 PHE N N 125.496 0.25 1 139 15 37 GLU H H 8.581 0.02 1 140 15 37 GLU HA H 4.352 0.02 1 141 15 37 GLU HB2 H 2.169 0.02 2 142 15 37 GLU HB3 H 1.928 0.02 2 143 15 37 GLU HG2 H 2.726 0.02 2 144 15 37 GLU HG3 H 2.385 0.02 2 145 15 37 GLU C C 180.101 0.3 1 146 15 37 GLU CA C 59.259 0.3 1 147 15 37 GLU CB C 29.792 0.3 1 148 15 37 GLU CG C 37.586 0.3 1 149 15 37 GLU N N 120.347 0.25 1 150 16 38 SER H H 9.508 0.02 1 151 16 38 SER HA H 4.461 0.02 1 152 16 38 SER HB2 H 3.782 0.02 1 153 16 38 SER HB3 H 3.782 0.02 1 154 16 38 SER C C 173.922 0.3 1 155 16 38 SER CA C 59.135 0.3 1 156 16 38 SER CB C 63.966 0.3 1 157 16 38 SER N N 113.311 0.25 1 158 17 39 ALA H H 7.273 0.02 1 159 17 39 ALA HA H 4.554 0.02 1 160 17 39 ALA HB H 1.108 0.02 1 161 17 39 ALA C C 174.470 0.3 1 162 17 39 ALA CA C 51.587 0.3 1 163 17 39 ALA CB C 22.943 0.3 1 164 17 39 ALA N N 120.590 0.25 1 165 18 40 GLU H H 8.379 0.02 1 166 18 40 GLU HA H 5.447 0.02 1 167 18 40 GLU HB2 H 2.118 0.02 1 168 18 40 GLU HB3 H 2.118 0.02 1 169 18 40 GLU HG2 H 2.176 0.02 1 170 18 40 GLU HG3 H 2.176 0.02 1 171 18 40 GLU C C 174.279 0.3 1 172 18 40 GLU CA C 54.510 0.3 1 173 18 40 GLU CB C 34.193 0.3 1 174 18 40 GLU CG C 35.615 0.3 1 175 18 40 GLU N N 116.005 0.25 1 176 19 41 CYS H H 9.194 0.02 1 177 19 41 CYS HA H 5.234 0.02 1 178 19 41 CYS HB2 H 3.330 0.02 2 179 19 41 CYS HB3 H 2.906 0.02 2 180 19 41 CYS C C 171.727 0.3 1 181 19 41 CYS CA C 56.468 0.3 1 182 19 41 CYS CB C 31.252 0.3 1 183 19 41 CYS N N 115.241 0.25 1 184 20 42 GLU H H 8.141 0.02 1 185 20 42 GLU HA H 5.526 0.02 1 186 20 42 GLU HB2 H 1.909 0.02 2 187 20 42 GLU HB3 H 1.840 0.02 2 188 20 42 GLU HG2 H 2.375 0.02 2 189 20 42 GLU HG3 H 2.102 0.02 2 190 20 42 GLU C C 175.878 0.3 1 191 20 42 GLU CA C 54.805 0.3 1 192 20 42 GLU CB C 33.410 0.3 1 193 20 42 GLU CG C 37.312 0.3 1 194 20 42 GLU N N 118.819 0.25 1 195 21 43 VAL H H 9.036 0.02 1 196 21 43 VAL HA H 5.365 0.02 1 197 21 43 VAL HB H 2.009 0.02 1 198 21 43 VAL HG1 H 0.905 0.02 2 199 21 43 VAL HG2 H 0.798 0.02 2 200 21 43 VAL C C 173.755 0.3 1 201 21 43 VAL CA C 57.887 0.3 1 202 21 43 VAL CB C 35.615 0.3 1 203 21 43 VAL CG1 C 22.752 0.3 1 204 21 43 VAL CG2 C 20.644 0.3 1 205 21 43 VAL N N 115.851 0.25 1 206 22 44 GLU H H 8.990 0.02 1 207 22 44 GLU HA H 5.074 0.02 1 208 22 44 GLU HB2 H 1.702 0.02 2 209 22 44 GLU HB3 H 1.646 0.02 2 210 22 44 GLU HG2 H 2.120 0.02 2 211 22 44 GLU HG3 H 1.981 0.02 2 212 22 44 GLU C C 174.303 0.3 1 213 22 44 GLU CA C 54.539 0.3 1 214 22 44 GLU CB C 32.429 0.3 1 215 22 44 GLU CG C 37.362 0.3 1 216 22 44 GLU N N 122.176 0.25 1 217 23 45 LEU H H 8.294 0.02 1 218 23 45 LEU HA H 4.700 0.02 1 219 23 45 LEU HB2 H 1.628 0.02 2 220 23 45 LEU HB3 H 1.384 0.02 2 221 23 45 LEU HG H 0.805 0.02 1 222 23 45 LEU HD1 H 0.610 0.02 2 223 23 45 LEU HD2 H 0.610 0.02 2 224 23 45 LEU C C 176.284 0.3 1 225 23 45 LEU CA C 52.510 0.3 1 226 23 45 LEU CB C 43.614 0.3 1 227 23 45 LEU CG C 26.445 0.3 1 228 23 45 LEU CD1 C 23.244 0.3 1 229 23 45 LEU CD2 C 23.244 0.3 1 230 23 45 LEU N N 119.061 0.25 1 231 24 46 TYR H H 7.959 0.02 1 232 24 46 TYR HA H 4.855 0.02 1 233 24 46 TYR HB2 H 2.325 0.02 2 234 24 46 TYR HB3 H 1.532 0.02 2 235 24 46 TYR HD1 H 5.743 0.02 3 236 24 46 TYR C C 175.568 0.3 1 237 24 46 TYR CA C 55.201 0.3 1 238 24 46 TYR CB C 37.061 0.3 1 239 24 46 TYR N N 120.703 0.25 1 240 25 47 GLU H H 8.926 0.02 1 241 25 47 GLU HA H 3.642 0.02 1 242 25 47 GLU HB2 H 2.077 0.02 1 243 25 47 GLU HB3 H 2.077 0.02 1 244 25 47 GLU HG2 H 2.296 0.02 1 245 25 47 GLU HG3 H 2.296 0.02 1 246 25 47 GLU C C 176.713 0.3 1 247 25 47 GLU CA C 59.637 0.3 1 248 25 47 GLU CB C 30.165 0.3 1 249 25 47 GLU CG C 36.743 0.3 1 250 25 47 GLU N N 128.188 0.25 1 251 26 48 GLU H H 9.056 0.02 1 252 26 48 GLU HA H 4.081 0.02 1 253 26 48 GLU HB2 H 2.052 0.02 1 254 26 48 GLU HB3 H 2.052 0.02 1 255 26 48 GLU HG2 H 2.442 0.02 2 256 26 48 GLU HG3 H 2.369 0.02 2 257 26 48 GLU C C 178.550 0.3 1 258 26 48 GLU CA C 58.565 0.3 1 259 26 48 GLU CB C 29.664 0.3 1 260 26 48 GLU CG C 36.777 0.3 1 261 26 48 GLU N N 113.458 0.25 1 262 27 49 TRP H H 7.647 0.02 1 263 27 49 TRP HA H 4.779 0.02 1 264 27 49 TRP HB2 H 3.666 0.02 2 265 27 49 TRP HB3 H 3.459 0.02 2 266 27 49 TRP HD1 H 6.934 0.02 1 267 27 49 TRP HE1 H 10.493 0.02 1 268 27 49 TRP C C 176.785 0.3 1 269 27 49 TRP CA C 57.403 0.3 1 270 27 49 TRP CB C 29.873 0.3 1 271 27 49 TRP N N 117.217 0.25 1 272 27 49 TRP NE1 N 131.284 0.25 1 273 28 50 ALA H H 6.890 0.02 1 274 28 50 ALA HA H 4.633 0.02 1 275 28 50 ALA HB H 1.398 0.02 1 276 28 50 ALA CA C 50.476 0.3 1 277 28 50 ALA CB C 20.151 0.3 1 278 28 50 ALA N N 117.671 0.25 1 279 29 51 PRO HA H 4.379 0.02 1 280 29 51 PRO HB2 H 2.397 0.02 2 281 29 51 PRO HB3 H 1.960 0.02 2 282 29 51 PRO HG2 H 2.191 0.02 1 283 29 51 PRO HG3 H 2.191 0.02 1 284 29 51 PRO HD2 H 3.696 0.02 2 285 29 51 PRO HD3 H 3.586 0.02 2 286 29 51 PRO C C 180.268 0.3 1 287 29 51 PRO CA C 66.699 0.3 1 288 29 51 PRO CB C 32.164 0.3 1 289 29 51 PRO CG C 27.449 0.3 1 290 29 51 PRO CD C 49.755 0.3 1 291 30 52 GLU H H 10.670 0.02 1 292 30 52 GLU HA H 4.014 0.02 1 293 30 52 GLU HB2 H 1.972 0.02 1 294 30 52 GLU HB3 H 1.972 0.02 1 295 30 52 GLU HG2 H 2.378 0.02 2 296 30 52 GLU HG3 H 2.206 0.02 2 297 30 52 GLU C C 180.841 0.3 1 298 30 52 GLU CA C 59.944 0.3 1 299 30 52 GLU CB C 28.729 0.3 1 300 30 52 GLU CG C 37.036 0.3 1 301 30 52 GLU N N 120.930 0.25 1 302 31 53 THR H H 10.328 0.02 1 303 31 53 THR HA H 4.101 0.02 1 304 31 53 THR HB H 3.499 0.02 1 305 31 53 THR HG2 H 0.744 0.02 1 306 31 53 THR C C 176.212 0.3 1 307 31 53 THR CA C 67.985 0.3 1 308 31 53 THR CB C 67.985 0.3 1 309 31 53 THR CG2 C 22.400 0.3 1 310 31 53 THR N N 120.335 0.25 1 311 32 54 VAL H H 8.813 0.02 1 312 32 54 VAL HA H 3.319 0.02 1 313 32 54 VAL HB H 2.046 0.02 1 314 32 54 VAL HG1 H 0.808 0.02 2 315 32 54 VAL HG2 H 0.808 0.02 2 316 32 54 VAL C C 177.357 0.3 1 317 32 54 VAL CA C 67.926 0.3 1 318 32 54 VAL CB C 31.660 0.3 1 319 32 54 VAL CG1 C 21.705 0.3 1 320 32 54 VAL CG2 C 21.705 0.3 1 321 32 54 VAL N N 119.608 0.25 1 322 33 55 ARG H H 7.907 0.02 1 323 33 55 ARG HA H 3.932 0.02 1 324 33 55 ARG HB2 H 1.948 0.02 2 325 33 55 ARG HB3 H 1.861 0.02 2 326 33 55 ARG HG2 H 1.616 0.02 1 327 33 55 ARG HG3 H 1.616 0.02 1 328 33 55 ARG HD2 H 3.205 0.02 2 329 33 55 ARG HD3 H 3.103 0.02 2 330 33 55 ARG C C 178.145 0.3 1 331 33 55 ARG CA C 59.428 0.3 1 332 33 55 ARG CB C 29.864 0.3 1 333 33 55 ARG CG C 27.883 0.3 1 334 33 55 ARG CD C 43.464 0.3 1 335 33 55 ARG N N 118.199 0.25 1 336 34 56 ALA H H 7.684 0.02 1 337 34 56 ALA HA H 4.119 0.02 1 338 34 56 ALA HB H 1.360 0.02 1 339 34 56 ALA C C 181.079 0.3 1 340 34 56 ALA CA C 54.712 0.3 1 341 34 56 ALA CB C 18.981 0.3 1 342 34 56 ALA N N 120.062 0.25 1 343 35 57 ILE H H 7.895 0.02 1 344 35 57 ILE HA H 3.517 0.02 1 345 35 57 ILE HB H 1.789 0.02 1 346 35 57 ILE HG12 H 0.729 0.02 1 347 35 57 ILE HG13 H 1.840 0.02 1 348 35 57 ILE HG2 H 0.651 0.02 1 349 35 57 ILE HD1 H 0.617 0.02 1 350 35 57 ILE C C 177.238 0.3 1 351 35 57 ILE CA C 65.461 0.3 1 352 35 57 ILE CB C 37.754 0.3 1 353 35 57 ILE CG1 C 30.338 0.3 1 354 35 57 ILE CG2 C 16.067 0.3 1 355 35 57 ILE N N 119.175 0.25 1 356 36 58 ALA H H 8.341 0.02 1 357 36 58 ALA HA H 3.819 0.02 1 358 36 58 ALA HB H 1.477 0.02 1 359 36 58 ALA C C 180.435 0.3 1 360 36 58 ALA CA C 55.224 0.3 1 361 36 58 ALA CB C 18.136 0.3 1 362 36 58 ALA N N 120.590 0.25 1 363 37 59 ASP H H 7.848 0.02 1 364 37 59 ASP HA H 4.490 0.02 1 365 37 59 ASP HB2 H 2.719 0.02 1 366 37 59 ASP HB3 H 2.719 0.02 1 367 37 59 ASP C C 176.474 0.3 1 368 37 59 ASP CA C 55.847 0.3 1 369 37 59 ASP CB C 41.114 0.3 1 370 37 59 ASP N N 115.968 0.25 1 371 38 60 ALA H H 7.556 0.02 1 372 38 60 ALA HA H 4.419 0.02 1 373 38 60 ALA HB H 1.456 0.02 1 374 38 60 ALA C C 176.546 0.3 1 375 38 60 ALA CA C 51.863 0.3 1 376 38 60 ALA CB C 20.244 0.3 1 377 38 60 ALA N N 121.458 0.25 1 378 39 61 LEU H H 6.955 0.02 1 379 39 61 LEU HA H 4.138 0.02 1 380 39 61 LEU HB2 H 1.872 0.02 2 381 39 61 LEU HB3 H 1.493 0.02 2 382 39 61 LEU HG H 2.418 0.02 1 383 39 61 LEU HD1 H 0.890 0.02 2 384 39 61 LEU HD2 H 0.699 0.02 2 385 39 61 LEU CA C 54.438 0.3 1 386 39 61 LEU CB C 41.156 0.3 1 387 39 61 LEU CG C 25.200 0.3 1 388 39 61 LEU CD1 C 27.382 0.3 1 389 39 61 LEU CD2 C 22.851 0.3 1 390 39 61 LEU N N 115.882 0.25 1 391 40 62 PRO HA H 4.917 0.02 1 392 40 62 PRO HB2 H 2.525 0.02 2 393 40 62 PRO HB3 H 1.943 0.02 2 394 40 62 PRO HG2 H 2.065 0.02 1 395 40 62 PRO HG3 H 2.065 0.02 1 396 40 62 PRO HD2 H 3.814 0.02 2 397 40 62 PRO HD3 H 3.548 0.02 2 398 40 62 PRO C C 175.878 0.3 1 399 40 62 PRO CA C 62.542 0.3 1 400 40 62 PRO CB C 34.888 0.3 1 401 40 62 PRO CG C 24.750 0.3 1 402 40 62 PRO CD C 50.652 0.3 1 403 41 63 ILE H H 8.339 0.02 1 404 41 63 ILE HA H 4.396 0.02 1 405 41 63 ILE HB H 1.521 0.02 1 406 41 63 ILE HG12 H 1.320 0.02 1 407 41 63 ILE HG13 H 1.320 0.02 1 408 41 63 ILE HG2 H 1.046 0.02 1 409 41 63 ILE HD1 H 0.925 0.02 1 410 41 63 ILE C C 174.303 0.3 1 411 41 63 ILE CA C 60.473 0.3 1 412 41 63 ILE CB C 42.034 0.3 1 413 41 63 ILE CG1 C 27.725 0.3 1 414 41 63 ILE CG2 C 16.658 0.3 1 415 41 63 ILE CD1 C 14.405 0.3 1 416 41 63 ILE N N 121.845 0.25 1 417 42 64 LYS H H 8.682 0.02 1 418 42 64 LYS HA H 5.350 0.02 1 419 42 64 LYS HB2 H 1.927 0.02 2 420 42 64 LYS HB3 H 1.781 0.02 2 421 42 64 LYS HG2 H 1.454 0.02 1 422 42 64 LYS HG3 H 1.454 0.02 1 423 42 64 LYS HD2 H 1.731 0.02 1 424 42 64 LYS HD3 H 1.731 0.02 1 425 42 64 LYS HE2 H 2.964 0.02 1 426 42 64 LYS HE3 H 2.964 0.02 1 427 42 64 LYS C C 176.354 0.3 1 428 42 64 LYS CA C 54.889 0.3 1 429 42 64 LYS CB C 33.960 0.3 1 430 42 64 LYS CG C 25.358 0.3 1 431 42 64 LYS CD C 29.363 0.3 1 432 42 64 LYS CE C 42.192 0.3 1 433 42 64 LYS N N 127.436 0.25 1 434 43 65 SER H H 8.826 0.02 1 435 43 65 SER HA H 4.874 0.02 1 436 43 65 SER HB2 H 3.991 0.02 2 437 43 65 SER HB3 H 3.301 0.02 2 438 43 65 SER C C 174.971 0.3 1 439 43 65 SER CA C 56.058 0.3 1 440 43 65 SER CB C 63.246 0.3 1 441 43 65 SER N N 118.297 0.25 1 442 44 66 THR H H 8.792 0.02 1 443 44 66 THR HA H 4.971 0.02 1 444 44 66 THR HB H 3.842 0.02 1 445 44 66 THR HG2 H 1.164 0.02 1 446 44 66 THR C C 172.920 0.3 1 447 44 66 THR CA C 61.157 0.3 1 448 44 66 THR CB C 71.832 0.3 1 449 44 66 THR CG2 C 21.891 0.3 1 450 44 66 THR N N 116.659 0.25 1 451 45 67 ALA H H 9.847 0.02 1 452 45 67 ALA HA H 4.248 0.02 1 453 45 67 ALA HB H 1.399 0.02 1 454 45 67 ALA C C 175.878 0.3 1 455 45 67 ALA CA C 53.008 0.3 1 456 45 67 ALA CB C 20.244 0.3 1 457 45 67 ALA N N 126.647 0.25 1 458 46 68 ASN H H 8.602 0.02 1 459 46 68 ASN HA H 5.241 0.02 1 460 46 68 ASN HB2 H 1.964 0.02 2 461 46 68 ASN HB3 H 1.131 0.02 2 462 46 68 ASN HD21 H 6.449 0.02 2 463 46 68 ASN HD22 H 6.913 0.02 2 464 46 68 ASN C C 173.588 0.3 1 465 46 68 ASN CA C 51.945 0.3 1 466 46 68 ASN CB C 40.906 0.3 1 467 46 68 ASN N N 119.583 0.25 1 468 46 68 ASN ND2 N 114.155 0.25 1 469 47 69 ARG H H 9.309 0.02 1 470 47 69 ARG HA H 5.228 0.02 1 471 47 69 ARG HB2 H 2.077 0.02 1 472 47 69 ARG HB3 H 2.077 0.02 1 473 47 69 ARG HG2 H 1.798 0.02 1 474 47 69 ARG HG3 H 1.798 0.02 1 475 47 69 ARG HD2 H 3.361 0.02 1 476 47 69 ARG HD3 H 3.361 0.02 1 477 47 69 ARG C C 176.069 0.3 1 478 47 69 ARG CA C 52.798 0.3 1 479 47 69 ARG CB C 31.913 0.3 1 480 47 69 ARG CG C 27.108 0.3 1 481 47 69 ARG CD C 42.828 0.3 1 482 47 69 ARG N N 122.489 0.25 1 483 48 70 TRP H H 8.891 0.02 1 484 48 70 TRP HA H 5.050 0.02 1 485 48 70 TRP HB2 H 3.658 0.02 2 486 48 70 TRP HB3 H 2.857 0.02 2 487 48 70 TRP HD1 H 6.305 0.02 1 488 48 70 TRP HE1 H 9.833 0.02 1 489 48 70 TRP C C 175.234 0.3 1 490 48 70 TRP CA C 57.236 0.3 1 491 48 70 TRP CB C 28.877 0.3 1 492 48 70 TRP N N 129.249 0.25 1 493 48 70 TRP NE1 N 127.470 0.25 1 494 49 71 GLY H H 8.932 0.02 1 495 49 71 GLY HA2 H 3.674 0.02 2 496 49 71 GLY HA3 H 3.475 0.02 2 497 49 71 GLY C C 174.924 0.3 1 498 49 71 GLY CA C 47.768 0.3 1 499 49 71 GLY N N 114.369 0.25 1 500 50 72 ASP H H 8.069 0.02 1 501 50 72 ASP HA H 4.407 0.02 1 502 50 72 ASP HB2 H 1.933 0.02 2 503 50 72 ASP HB3 H 1.912 0.02 2 504 50 72 ASP C C 169.770 0.3 1 505 50 72 ASP CA C 53.726 0.3 1 506 50 72 ASP CB C 37.697 0.3 1 507 50 72 ASP N N 131.284 0.25 1 508 51 73 GLU H H 7.136 0.02 1 509 51 73 GLU HA H 4.979 0.02 1 510 51 73 GLU HB2 H 1.674 0.02 1 511 51 73 GLU HB3 H 1.674 0.02 1 512 51 73 GLU HG2 H 1.782 0.02 1 513 51 73 GLU HG3 H 1.782 0.02 1 514 51 73 GLU C C 177.667 0.3 1 515 51 73 GLU CA C 53.794 0.3 1 516 51 73 GLU CB C 32.012 0.3 1 517 51 73 GLU CG C 33.978 0.3 1 518 51 73 GLU N N 115.499 0.25 1 519 52 74 ILE H H 8.402 0.02 1 520 52 74 ILE HA H 5.327 0.02 1 521 52 74 ILE HB H 1.585 0.02 1 522 52 74 ILE HG12 H 1.855 0.02 1 523 52 74 ILE HG13 H 0.766 0.02 1 524 52 74 ILE HG2 H 1.141 0.02 1 525 52 74 ILE HD1 H 0.509 0.02 1 526 52 74 ILE C C 174.256 0.3 1 527 52 74 ILE CA C 59.209 0.3 1 528 52 74 ILE CB C 43.262 0.3 1 529 52 74 ILE CG1 C 30.041 0.3 1 530 52 74 ILE CG2 C 18.974 0.3 1 531 52 74 ILE CD1 C 15.801 0.3 1 532 52 74 ILE N N 125.435 0.25 1 533 53 75 TYR H H 9.218 0.02 1 534 53 75 TYR HA H 6.245 0.02 1 535 53 75 TYR HB2 H 3.071 0.02 2 536 53 75 TYR HB3 H 2.763 0.02 2 537 53 75 TYR HD1 H 6.469 0.02 3 538 53 75 TYR C C 174.876 0.3 1 539 53 75 TYR CA C 54.931 0.3 1 540 53 75 TYR CB C 42.519 0.3 1 541 53 75 TYR N N 124.392 0.25 1 542 54 76 PHE H H 8.464 0.02 1 543 54 76 PHE HA H 5.124 0.02 1 544 54 76 PHE HB2 H 3.220 0.02 2 545 54 76 PHE HB3 H 3.154 0.02 2 546 54 76 PHE HD1 H 6.900 0.02 3 547 54 76 PHE C C 173.874 0.3 1 548 54 76 PHE CA C 54.661 0.3 1 549 54 76 PHE CB C 40.312 0.3 1 550 54 76 PHE N N 115.744 0.25 1 551 55 77 THR H H 9.523 0.02 1 552 55 77 THR HA H 4.274 0.02 1 553 55 77 THR HB H 4.370 0.02 1 554 55 77 THR HG2 H 1.499 0.02 1 555 55 77 THR C C 174.590 0.3 1 556 55 77 THR CA C 63.797 0.3 1 557 55 77 THR CB C 69.826 0.3 1 558 55 77 THR CG2 C 22.116 0.3 1 559 55 77 THR N N 117.383 0.25 1 560 56 78 THR H H 8.228 0.02 1 561 56 78 THR HA H 5.267 0.02 1 562 56 78 THR HB H 4.596 0.02 1 563 56 78 THR HG2 H 1.547 0.02 1 564 56 78 THR C C 173.254 0.3 1 565 56 78 THR CA C 60.639 0.3 1 566 56 78 THR CB C 72.872 0.3 1 567 56 78 THR CG2 C 22.067 0.3 1 568 56 78 THR N N 115.471 0.25 1 569 57 79 GLN H H 9.429 0.02 1 570 57 79 GLN HA H 4.600 0.02 1 571 57 79 GLN HB2 H 2.050 0.02 1 572 57 79 GLN HB3 H 2.050 0.02 1 573 57 79 GLN HG2 H 2.542 0.02 2 574 57 79 GLN HG3 H 2.462 0.02 2 575 57 79 GLN C C 176.665 0.3 1 576 57 79 GLN CA C 54.956 0.3 1 577 57 79 GLN CB C 28.310 0.3 1 578 57 79 GLN CG C 34.244 0.3 1 579 57 79 GLN N N 116.241 0.25 1 580 58 80 VAL H H 8.402 0.02 1 581 58 80 VAL HA H 3.713 0.02 1 582 58 80 VAL HB H 2.284 0.02 1 583 58 80 VAL HG1 H 0.866 0.02 2 584 58 80 VAL HG2 H 0.644 0.02 2 585 58 80 VAL C C 175.115 0.3 1 586 58 80 VAL CA C 63.465 0.3 1 587 58 80 VAL CB C 31.235 0.3 1 588 58 80 VAL CG1 C 22.082 0.3 1 589 58 80 VAL CG2 C 21.661 0.3 1 590 58 80 VAL N N 123.275 0.25 1 591 59 81 ALA H H 8.886 0.02 1 592 59 81 ALA HA H 4.596 0.02 1 593 59 81 ALA HB H 1.319 0.02 1 594 59 81 ALA C C 175.401 0.3 1 595 59 81 ALA CA C 51.202 0.3 1 596 59 81 ALA CB C 19.499 0.3 1 597 59 81 ALA N N 133.245 0.25 1 598 60 82 VAL H H 7.459 0.02 1 599 60 82 VAL HA H 4.043 0.02 1 600 60 82 VAL HB H 1.700 0.02 1 601 60 82 VAL HG1 H 0.888 0.02 2 602 60 82 VAL HG2 H 0.666 0.02 2 603 60 82 VAL C C 175.520 0.3 1 604 60 82 VAL CA C 62.100 0.3 1 605 60 82 VAL CB C 34.244 0.3 1 606 60 82 VAL CG1 C 20.935 0.3 1 607 60 82 VAL CG2 C 22.074 0.3 1 608 60 82 VAL N N 123.330 0.25 1 609 61 83 GLU H H 8.889 0.02 1 610 61 83 GLU HA H 4.614 0.02 1 611 61 83 GLU HB2 H 1.814 0.02 1 612 61 83 GLU HB3 H 1.814 0.02 1 613 61 83 GLU HG2 H 2.158 0.02 2 614 61 83 GLU HG3 H 2.119 0.02 2 615 61 83 GLU C C 174.852 0.3 1 616 61 83 GLU CA C 55.139 0.3 1 617 61 83 GLU CB C 31.176 0.3 1 618 61 83 GLU CG C 36.141 0.3 1 619 61 83 GLU N N 123.535 0.25 1 620 62 84 LYS H H 6.924 0.02 1 621 62 84 LYS HA H 4.273 0.02 1 622 62 84 LYS HB2 H 1.647 0.02 2 623 62 84 LYS HB3 H 1.564 0.02 2 624 62 84 LYS HG2 H 1.371 0.02 1 625 62 84 LYS HG3 H 1.371 0.02 1 626 62 84 LYS HD2 H 1.678 0.02 1 627 62 84 LYS HD3 H 1.678 0.02 1 628 62 84 LYS HE2 H 3.070 0.02 1 629 62 84 LYS HE3 H 3.070 0.02 1 630 62 84 LYS C C 175.108 0.3 1 631 62 84 LYS CA C 55.371 0.3 1 632 62 84 LYS CB C 34.678 0.3 1 633 62 84 LYS CG C 24.874 0.3 1 634 62 84 LYS CD C 29.304 0.3 1 635 62 84 LYS CE C 43.975 0.3 1 636 62 84 LYS N N 122.093 0.25 1 637 63 85 GLU H H 8.603 0.02 1 638 63 85 GLU HA H 4.526 0.02 1 639 63 85 GLU HB2 H 2.048 0.02 2 640 63 85 GLU HB3 H 1.895 0.02 2 641 63 85 GLU HG2 H 2.376 0.02 1 642 63 85 GLU HG3 H 2.376 0.02 1 643 63 85 GLU C C 176.260 0.3 1 644 63 85 GLU CA C 56.624 0.3 1 645 63 85 GLU CB C 29.544 0.3 1 646 63 85 GLU CG C 36.608 0.3 1 647 63 85 GLU N N 125.690 0.25 1 648 64 86 GLU H H 7.736 0.02 1 649 64 86 GLU HA H 4.517 0.02 1 650 64 86 GLU HB2 H 2.123 0.02 2 651 64 86 GLU HB3 H 2.067 0.02 2 652 64 86 GLU HG2 H 2.066 0.02 2 653 64 86 GLU HG3 H 2.032 0.02 2 654 64 86 GLU C C 173.492 0.3 1 655 64 86 GLU CA C 56.285 0.3 1 656 64 86 GLU CB C 34.671 0.3 1 657 64 86 GLU CG C 37.486 0.3 1 658 64 86 GLU N N 122.790 0.25 1 659 65 87 ASN H H 8.873 0.02 1 660 65 87 ASN HA H 4.324 0.02 1 661 65 87 ASN HB2 H 3.853 0.02 2 662 65 87 ASN HB3 H 2.779 0.02 2 663 65 87 ASN HD21 H 6.438 0.02 2 664 65 87 ASN HD22 H 8.208 0.02 2 665 65 87 ASN C C 175.329 0.3 1 666 65 87 ASN CA C 53.008 0.3 1 667 65 87 ASN CB C 37.486 0.3 1 668 65 87 ASN N N 122.498 0.25 1 669 65 87 ASN ND2 N 111.089 0.25 1 670 66 88 SER H H 7.971 0.02 1 671 66 88 SER HA H 5.317 0.02 1 672 66 88 SER HB2 H 3.775 0.02 2 673 66 88 SER HB3 H 3.544 0.02 2 674 66 88 SER C C 177.023 0.3 1 675 66 88 SER CA C 57.312 0.3 1 676 66 88 SER CB C 63.212 0.3 1 677 66 88 SER N N 110.116 0.25 1 678 67 89 LYS H H 9.413 0.02 1 679 67 89 LYS HA H 4.870 0.02 1 680 67 89 LYS HB2 H 2.230 0.02 2 681 67 89 LYS HB3 H 1.607 0.02 2 682 67 89 LYS HG2 H 1.513 0.02 2 683 67 89 LYS HG3 H 1.445 0.02 2 684 67 89 LYS HD2 H 1.774 0.02 2 685 67 89 LYS HD3 H 1.637 0.02 2 686 67 89 LYS HE2 H 2.772 0.02 1 687 67 89 LYS HE3 H 2.772 0.02 1 688 67 89 LYS C C 175.282 0.3 1 689 67 89 LYS CA C 55.446 0.3 1 690 67 89 LYS CB C 37.813 0.3 1 691 67 89 LYS CG C 24.716 0.3 1 692 67 89 LYS CD C 29.188 0.3 1 693 67 89 LYS CE C 42.443 0.3 1 694 67 89 LYS N N 127.362 0.25 1 695 68 90 ASP H H 8.416 0.02 1 696 68 90 ASP HA H 4.508 0.02 1 697 68 90 ASP HB2 H 2.820 0.02 2 698 68 90 ASP HB3 H 2.494 0.02 2 699 68 90 ASP C C 174.661 0.3 1 700 68 90 ASP CA C 53.034 0.3 1 701 68 90 ASP CB C 40.948 0.3 1 702 68 90 ASP N N 117.539 0.25 1 703 69 91 VAL H H 7.302 0.02 1 704 69 91 VAL HA H 4.402 0.02 1 705 69 91 VAL HB H 1.886 0.02 1 706 69 91 VAL HG1 H 0.869 0.02 2 707 69 91 VAL HG2 H 0.869 0.02 2 708 69 91 VAL C C 174.971 0.3 1 709 69 91 VAL CA C 61.466 0.3 1 710 69 91 VAL CB C 35.631 0.3 1 711 69 91 VAL CG1 C 21.463 0.3 1 712 69 91 VAL CG2 C 21.463 0.3 1 713 69 91 VAL N N 118.279 0.25 1 714 70 92 VAL H H 8.064 0.02 1 715 70 92 VAL HA H 4.665 0.02 1 716 70 92 VAL HB H 2.437 0.02 1 717 70 92 VAL HG1 H 0.236 0.02 2 718 70 92 VAL HG2 H -0.581 0.02 2 719 70 92 VAL C C 173.182 0.3 1 720 70 92 VAL CA C 58.407 0.3 1 721 70 92 VAL CB C 33.225 0.3 1 722 70 92 VAL CG1 C 21.290 0.3 1 723 70 92 VAL CG2 C 16.182 0.3 1 724 70 92 VAL N N 116.769 0.25 1 725 71 93 GLU H H 8.908 0.02 1 726 71 93 GLU HA H 4.490 0.02 1 727 71 93 GLU HB2 H 2.070 0.02 2 728 71 93 GLU HB3 H 1.896 0.02 2 729 71 93 GLU HG2 H 2.372 0.02 2 730 71 93 GLU HG3 H 2.249 0.02 2 731 71 93 GLU C C 176.188 0.3 1 732 71 93 GLU CA C 53.684 0.3 1 733 71 93 GLU CB C 32.046 0.3 1 734 71 93 GLU CG C 36.577 0.3 1 735 71 93 GLU N N 118.819 0.25 1 736 72 94 LEU H H 8.608 0.02 1 737 72 94 LEU HA H 3.679 0.02 1 738 72 94 LEU HB2 H 1.712 0.02 2 739 72 94 LEU HB3 H 1.597 0.02 2 740 72 94 LEU HG H 1.513 0.02 1 741 72 94 LEU HD1 H 0.931 0.02 2 742 72 94 LEU HD2 H 0.931 0.02 2 743 72 94 LEU C C 178.765 0.3 1 744 72 94 LEU CA C 57.479 0.3 1 745 72 94 LEU CB C 41.950 0.3 1 746 72 94 LEU CG C 27.190 0.3 1 747 72 94 LEU CD1 C 24.373 0.3 1 748 72 94 LEU CD2 C 24.373 0.3 1 749 72 94 LEU N N 121.716 0.25 1 750 73 95 GLY H H 9.094 0.02 1 751 73 95 GLY HA2 H 4.685 0.02 2 752 73 95 GLY HA3 H 3.968 0.02 2 753 73 95 GLY C C 173.611 0.3 1 754 73 95 GLY CA C 45.778 0.3 1 755 73 95 GLY N N 117.278 0.25 1 756 74 96 ASP H H 8.470 0.02 1 757 74 96 ASP HA H 5.321 0.02 1 758 74 96 ASP HB2 H 3.079 0.02 2 759 74 96 ASP HB3 H 2.646 0.02 2 760 74 96 ASP C C 175.282 0.3 1 761 74 96 ASP CA C 56.963 0.3 1 762 74 96 ASP CB C 41.900 0.3 1 763 74 96 ASP N N 121.995 0.25 1 764 75 97 VAL H H 8.154 0.02 1 765 75 97 VAL HA H 5.141 0.02 1 766 75 97 VAL HB H 1.441 0.02 1 767 75 97 VAL HG1 H 1.014 0.02 2 768 75 97 VAL HG2 H 0.891 0.02 2 769 75 97 VAL C C 175.401 0.3 1 770 75 97 VAL CA C 60.380 0.3 1 771 75 97 VAL CB C 33.720 0.3 1 772 75 97 VAL CG1 C 22.569 0.3 1 773 75 97 VAL CG2 C 20.554 0.3 1 774 75 97 VAL N N 118.589 0.25 1 775 76 98 ALA H H 9.788 0.02 1 776 76 98 ALA HA H 5.908 0.02 1 777 76 98 ALA HB H 1.610 0.02 1 778 76 98 ALA C C 173.993 0.3 1 779 76 98 ALA CA C 50.006 0.3 1 780 76 98 ALA CB C 26.462 0.3 1 781 76 98 ALA N N 128.798 0.25 1 782 77 99 TYR H H 9.872 0.02 1 783 77 99 TYR HA H 5.781 0.02 1 784 77 99 TYR HB2 H 2.904 0.02 2 785 77 99 TYR HB3 H 2.743 0.02 2 786 77 99 TYR HD1 H 6.740 0.02 3 787 77 99 TYR C C 173.183 0.3 1 788 77 99 TYR CA C 55.933 0.3 1 789 77 99 TYR CB C 43.839 0.3 1 790 77 99 TYR N N 121.875 0.25 1 791 78 100 TRP H H 9.419 0.02 1 792 78 100 TRP HA H 5.093 0.02 1 793 78 100 TRP HB2 H 3.084 0.02 2 794 78 100 TRP HB3 H 2.802 0.02 2 795 78 100 TRP HD1 H 6.967 0.02 1 796 78 100 TRP HE1 H 10.345 0.02 1 797 78 100 TRP C C 174.733 0.3 1 798 78 100 TRP CA C 55.691 0.3 1 799 78 100 TRP CB C 29.513 0.3 1 800 78 100 TRP N N 130.959 0.25 1 801 78 100 TRP NE1 N 132.316 0.25 1 802 79 101 ILE H H 9.118 0.02 1 803 79 101 ILE HA H 3.452 0.02 1 804 79 101 ILE HB H 1.850 0.02 1 805 79 101 ILE HG12 H 1.682 0.02 1 806 79 101 ILE HG13 H 1.343 0.02 1 807 79 101 ILE HG2 H 0.905 0.02 1 808 79 101 ILE HD1 H 0.815 0.02 1 809 79 101 ILE CA C 67.008 0.3 1 810 79 101 ILE CB C 36.450 0.3 1 811 79 101 ILE CG1 C 29.062 0.3 1 812 79 101 ILE CG2 C 16.858 0.3 1 813 79 101 ILE CD1 C 13.607 0.3 1 814 79 101 ILE N N 127.795 0.25 1 815 80 102 PRO CA C 61.332 0.3 1 816 80 102 PRO CB C 33.308 0.3 1 817 80 102 PRO CG C 26.634 0.3 1 818 80 102 PRO CD C 49.462 0.3 1 819 81 103 GLY HA2 H 4.295 0.02 2 820 81 103 GLY HA3 H 3.245 0.02 2 821 81 103 GLY C C 172.753 0.3 1 822 81 103 GLY CA C 44.340 0.3 1 823 82 104 LYS H H 7.827 0.02 1 824 82 104 LYS HA H 3.611 0.02 1 825 82 104 LYS HB2 H 1.674 0.02 1 826 82 104 LYS HB3 H 1.674 0.02 1 827 82 104 LYS HG2 H 1.518 0.02 2 828 82 104 LYS HG3 H 1.369 0.02 2 829 82 104 LYS HD2 H 2.217 0.02 1 830 82 104 LYS HD3 H 2.217 0.02 1 831 82 104 LYS HE2 H 3.005 0.02 1 832 82 104 LYS HE3 H 3.005 0.02 1 833 82 104 LYS C C 174.995 0.3 1 834 82 104 LYS CA C 57.112 0.3 1 835 82 104 LYS CB C 29.479 0.3 1 836 82 104 LYS CG C 24.866 0.3 1 837 82 104 LYS CD C 29.602 0.3 1 838 82 104 LYS CE C 42.842 0.3 1 839 82 104 LYS N N 120.856 0.25 1 840 83 105 ALA H H 7.506 0.02 1 841 83 105 ALA HA H 5.502 0.02 1 842 83 105 ALA HB H 1.393 0.02 1 843 83 105 ALA C C 177.238 0.3 1 844 83 105 ALA CA C 50.692 0.3 1 845 83 105 ALA CB C 22.785 0.3 1 846 83 105 ALA N N 119.313 0.25 1 847 84 106 ILE H H 7.888 0.02 1 848 84 106 ILE HA H 4.767 0.02 1 849 84 106 ILE HG12 H 1.803 0.02 1 850 84 106 ILE HG13 H 1.003 0.02 1 851 84 106 ILE HG2 H 0.682 0.02 1 852 84 106 ILE HD1 H 0.915 0.02 1 853 84 106 ILE C C 174.184 0.3 1 854 84 106 ILE CA C 60.829 0.3 1 855 84 106 ILE CB C 37.303 0.3 1 856 84 106 ILE CG1 C 28.755 0.3 1 857 84 106 ILE CG2 C 16.633 0.3 1 858 84 106 ILE CD1 C 13.083 0.3 1 859 84 106 ILE N N 121.464 0.25 1 860 85 107 CYS H H 9.058 0.02 1 861 85 107 CYS HA H 5.257 0.02 1 862 85 107 CYS HB2 H 2.667 0.02 1 863 85 107 CYS HB3 H 2.667 0.02 1 864 85 107 CYS C C 173.516 0.3 1 865 85 107 CYS CA C 56.226 0.3 1 866 85 107 CYS CB C 32.296 0.3 1 867 85 107 CYS N N 122.909 0.25 1 868 86 108 LEU H H 9.705 0.02 1 869 86 108 LEU HA H 5.015 0.02 1 870 86 108 LEU HB2 H 2.136 0.02 2 871 86 108 LEU HB3 H 1.633 0.02 2 872 86 108 LEU HG H 1.896 0.02 1 873 86 108 LEU HD1 H 1.043 0.02 2 874 86 108 LEU HD2 H 1.226 0.02 2 875 86 108 LEU C C 175.162 0.3 1 876 86 108 LEU CA C 53.583 0.3 1 877 86 108 LEU CB C 44.633 0.3 1 878 86 108 LEU CG C 26.105 0.3 1 879 86 108 LEU CD1 C 25.963 0.3 1 880 86 108 LEU CD2 C 26.460 0.3 1 881 86 108 LEU N N 122.615 0.25 1 882 87 109 PHE H H 8.511 0.02 1 883 87 109 PHE HA H 4.827 0.02 1 884 87 109 PHE HB2 H 3.410 0.02 2 885 87 109 PHE HB3 H 2.847 0.02 2 886 87 109 PHE HD1 H 7.174 0.02 3 887 87 109 PHE C C 174.852 0.3 1 888 87 109 PHE CA C 58.382 0.3 1 889 87 109 PHE CB C 39.651 0.3 1 890 87 109 PHE N N 119.436 0.25 1 891 88 110 PHE H H 7.998 0.02 1 892 88 110 PHE HA H 5.302 0.02 1 893 88 110 PHE HB2 H 3.634 0.02 2 894 88 110 PHE HB3 H 2.503 0.02 2 895 88 110 PHE HD1 H 6.845 0.02 3 896 88 110 PHE C C 172.466 0.3 1 897 88 110 PHE CA C 55.230 0.3 1 898 88 110 PHE CB C 38.516 0.3 1 899 88 110 PHE N N 119.565 0.25 1 900 89 111 GLY H H 7.452 0.02 1 901 89 111 GLY HA2 H 4.217 0.02 2 902 89 111 GLY HA3 H 3.765 0.02 2 903 89 111 GLY C C 169.937 0.3 1 904 89 111 GLY CA C 44.923 0.3 1 905 89 111 GLY N N 109.122 0.25 1 906 90 112 LYS H H 8.701 0.02 1 907 90 112 LYS HA H 3.990 0.02 1 908 90 112 LYS HB2 H 1.869 0.02 2 909 90 112 LYS HB3 H 1.720 0.02 2 910 90 112 LYS HG2 H 1.610 0.02 2 911 90 112 LYS HG3 H 1.302 0.02 2 912 90 112 LYS HD2 H 1.597 0.02 1 913 90 112 LYS HD3 H 1.597 0.02 1 914 90 112 LYS HE2 H 2.921 0.02 1 915 90 112 LYS HE3 H 2.921 0.02 1 916 90 112 LYS C C 178.121 0.3 1 917 90 112 LYS CA C 57.914 0.3 1 918 90 112 LYS CB C 33.307 0.3 1 919 90 112 LYS CG C 26.270 0.3 1 920 90 112 LYS CD C 29.062 0.3 1 921 90 112 LYS CE C 42.302 0.3 1 922 90 112 LYS N N 115.351 0.25 1 923 91 113 THR H H 7.382 0.02 1 924 91 113 THR HA H 4.443 0.02 1 925 91 113 THR HB H 3.942 0.02 1 926 91 113 THR HG2 H 1.436 0.02 1 927 91 113 THR CA C 59.136 0.3 1 928 91 113 THR CB C 68.581 0.3 1 929 91 113 THR CG2 C 21.204 0.3 1 930 91 113 THR N N 110.794 0.25 1 931 92 114 PRO C C 176.331 0.3 1 932 92 114 PRO CA C 65.076 0.3 1 933 92 114 PRO CB C 32.432 0.3 1 934 92 114 PRO CG C 27.675 0.3 1 935 93 115 ILE H H 5.965 0.02 1 936 93 115 ILE HA H 4.637 0.02 1 937 93 115 ILE HB H 2.230 0.02 1 938 93 115 ILE HG12 H 1.060 0.02 1 939 93 115 ILE HG13 H 1.060 0.02 1 940 93 115 ILE HG2 H 1.005 0.02 1 941 93 115 ILE HD1 H 0.929 0.02 1 942 93 115 ILE C C 176.236 0.3 1 943 93 115 ILE CA C 60.355 0.3 1 944 93 115 ILE CB C 37.838 0.3 1 945 93 115 ILE CG1 C 26.278 0.3 1 946 93 115 ILE CG2 C 17.260 0.3 1 947 93 115 ILE CD1 C 14.353 0.3 1 948 93 115 ILE N N 104.289 0.25 1 949 94 116 SER H H 7.418 0.02 1 950 94 116 SER HA H 4.197 0.02 1 951 94 116 SER HB2 H 4.392 0.02 2 952 94 116 SER HB3 H 3.995 0.02 2 953 94 116 SER CA C 60.738 0.3 1 954 94 116 SER CB C 63.888 0.3 1 955 94 116 SER N N 117.539 0.25 1 956 96 118 ASP HA H 4.489 0.02 1 957 96 118 ASP HB2 H 2.697 0.02 1 958 96 118 ASP HB3 H 2.697 0.02 1 959 96 118 ASP C C 176.021 0.3 1 960 96 118 ASP CA C 55.826 0.3 1 961 96 118 ASP CB C 39.794 0.3 1 962 97 119 LYS H H 8.427 0.02 1 963 97 119 LYS HA H 4.508 0.02 1 964 97 119 LYS HB2 H 1.765 0.02 2 965 97 119 LYS HB3 H 1.648 0.02 2 966 97 119 LYS HG2 H 1.389 0.02 1 967 97 119 LYS HG3 H 1.389 0.02 1 968 97 119 LYS HD2 H 1.664 0.02 2 969 97 119 LYS HD3 H 1.591 0.02 2 970 97 119 LYS HE2 H 2.981 0.02 1 971 97 119 LYS HE3 H 2.981 0.02 1 972 97 119 LYS C C 175.162 0.3 1 973 97 119 LYS CA C 53.901 0.3 1 974 97 119 LYS CB C 34.061 0.3 1 975 97 119 LYS CG C 24.883 0.3 1 976 97 119 LYS CD C 28.761 0.3 1 977 97 119 LYS CE C 42.260 0.3 1 978 97 119 LYS N N 120.049 0.25 1 979 98 120 ILE H H 8.542 0.02 1 980 98 120 ILE HA H 3.922 0.02 1 981 98 120 ILE HB H 1.815 0.02 1 982 98 120 ILE HG12 H 1.653 0.02 1 983 98 120 ILE HG13 H 1.653 0.02 1 984 98 120 ILE HG2 H 0.636 0.02 1 985 98 120 ILE HD1 H 0.675 0.02 1 986 98 120 ILE C C 175.138 0.3 1 987 98 120 ILE CA C 62.001 0.3 1 988 98 120 ILE CB C 35.949 0.3 1 989 98 120 ILE CG1 C 27.925 0.3 1 990 98 120 ILE CG2 C 19.231 0.3 1 991 98 120 ILE CD1 C 12.546 0.3 1 992 98 120 ILE N N 120.832 0.25 1 993 99 121 ARG H H 7.819 0.02 1 994 99 121 ARG HA H 5.009 0.02 1 995 99 121 ARG HB2 H 1.670 0.02 2 996 99 121 ARG HB3 H 1.294 0.02 2 997 99 121 ARG HG2 H 1.664 0.02 1 998 99 121 ARG HG3 H 1.664 0.02 1 999 99 121 ARG HD2 H 3.198 0.02 1 1000 99 121 ARG HD3 H 3.198 0.02 1 1001 99 121 ARG CA C 51.671 0.3 1 1002 99 121 ARG CB C 31.420 0.3 1 1003 99 121 ARG CG C 27.947 0.3 1 1004 99 121 ARG CD C 43.321 0.3 1 1005 99 121 ARG N N 126.727 0.25 1 1006 100 122 PRO HA H 4.769 0.02 1 1007 100 122 PRO HB2 H 2.385 0.02 2 1008 100 122 PRO HB3 H 2.102 0.02 2 1009 100 122 PRO HG2 H 1.650 0.02 2 1010 100 122 PRO HG3 H 1.517 0.02 2 1011 100 122 PRO HD2 H 3.875 0.02 2 1012 100 122 PRO HD3 H 3.304 0.02 2 1013 100 122 PRO C C 175.067 0.3 1 1014 100 122 PRO CA C 61.600 0.3 1 1015 100 122 PRO CB C 33.084 0.3 1 1016 100 122 PRO CG C 26.570 0.3 1 1017 100 122 PRO CD C 50.543 0.3 1 1018 101 123 ALA H H 8.508 0.02 1 1019 101 123 ALA HA H 3.753 0.02 1 1020 101 123 ALA HB H 0.388 0.02 1 1021 101 123 ALA C C 178.098 0.3 1 1022 101 123 ALA CA C 55.207 0.3 1 1023 101 123 ALA CB C 17.722 0.3 1 1024 101 123 ALA N N 121.268 0.25 1 1025 102 124 SER H H 7.393 0.02 1 1026 102 124 SER HA H 4.281 0.02 1 1027 102 124 SER HB2 H 4.144 0.02 1 1028 102 124 SER HB3 H 4.144 0.02 1 1029 102 124 SER C C 171.416 0.3 1 1030 102 124 SER CA C 56.971 0.3 1 1031 102 124 SER CB C 63.707 0.3 1 1032 102 124 SER N N 104.804 0.25 1 1033 103 125 ALA H H 8.190 0.02 1 1034 103 125 ALA HA H 4.343 0.02 1 1035 103 125 ALA HB H 1.291 0.02 1 1036 103 125 ALA C C 177.858 0.3 1 1037 103 125 ALA CA C 53.828 0.3 1 1038 103 125 ALA CB C 18.656 0.3 1 1039 103 125 ALA N N 118.291 0.25 1 1040 104 126 VAL H H 8.300 0.02 1 1041 104 126 VAL HA H 5.132 0.02 1 1042 104 126 VAL HB H 2.102 0.02 1 1043 104 126 VAL HG1 H 1.252 0.02 2 1044 104 126 VAL HG2 H 0.768 0.02 2 1045 104 126 VAL C C 174.542 0.3 1 1046 104 126 VAL CA C 58.792 0.3 1 1047 104 126 VAL CB C 35.941 0.3 1 1048 104 126 VAL CG1 C 22.859 0.3 1 1049 104 126 VAL CG2 C 18.665 0.3 1 1050 104 126 VAL N N 111.166 0.25 1 1051 105 127 ASN H H 9.178 0.02 1 1052 105 127 ASN HA H 5.123 0.02 1 1053 105 127 ASN HB2 H 3.421 0.02 2 1054 105 127 ASN HB3 H 2.926 0.02 2 1055 105 127 ASN HD21 H 6.926 0.02 2 1056 105 127 ASN HD22 H 7.597 0.02 2 1057 105 127 ASN C C 176.093 0.3 1 1058 105 127 ASN CA C 52.105 0.3 1 1059 105 127 ASN CB C 38.640 0.3 1 1060 105 127 ASN N N 120.335 0.25 1 1061 105 127 ASN ND2 N 113.031 0.25 1 1062 106 128 VAL H H 8.879 0.02 1 1063 106 128 VAL HA H 4.421 0.02 1 1064 106 128 VAL HB H 2.424 0.02 1 1065 106 128 VAL HG1 H 1.343 0.02 2 1066 106 128 VAL HG2 H 1.145 0.02 2 1067 106 128 VAL CA C 66.564 0.3 1 1068 106 128 VAL CB C 30.565 0.3 1 1069 106 128 VAL CG1 C 21.046 0.3 1 1070 106 128 VAL CG2 C 23.878 0.3 1 1071 106 128 VAL N N 129.001 0.25 1 1072 107 129 ILE HA H 5.128 0.02 1 1073 107 129 ILE HB H 2.154 0.02 1 1074 107 129 ILE HG2 H 1.043 0.02 1 1075 107 129 ILE HD1 H 0.741 0.02 1 1076 107 129 ILE C C 174.136 0.3 1 1077 107 129 ILE CA C 61.608 0.3 1 1078 107 129 ILE CB C 40.194 0.3 1 1079 107 129 ILE CG1 C 25.929 0.3 1 1080 107 129 ILE CG2 C 17.528 0.3 1 1081 107 129 ILE CD1 C 14.789 0.3 1 1082 108 130 GLY H H 8.194 0.02 1 1083 108 130 GLY HA2 H 4.574 0.02 2 1084 108 130 GLY HA3 H 4.117 0.02 2 1085 108 130 GLY C C 172.037 0.3 1 1086 108 130 GLY CA C 47.006 0.3 1 1087 108 130 GLY N N 108.757 0.25 1 1088 109 131 ARG H H 8.809 0.02 1 1089 109 131 ARG HA H 5.686 0.02 1 1090 109 131 ARG HB2 H 2.050 0.02 2 1091 109 131 ARG HB3 H 1.852 0.02 2 1092 109 131 ARG HG2 H 2.057 0.02 2 1093 109 131 ARG HG3 H 2.022 0.02 2 1094 109 131 ARG HD2 H 3.769 0.02 2 1095 109 131 ARG HD3 H 3.606 0.02 2 1096 109 131 ARG C C 175.568 0.3 1 1097 109 131 ARG CA C 53.158 0.3 1 1098 109 131 ARG CB C 34.075 0.3 1 1099 109 131 ARG CG C 26.855 0.3 1 1100 109 131 ARG CD C 42.293 0.3 1 1101 109 131 ARG N N 118.049 0.25 1 1102 110 132 ILE H H 9.669 0.02 1 1103 110 132 ILE HA H 4.356 0.02 1 1104 110 132 ILE HB H 1.977 0.02 1 1105 110 132 ILE HG12 H 0.891 0.02 1 1106 110 132 ILE HG13 H 0.891 0.02 1 1107 110 132 ILE HG2 H 1.069 0.02 1 1108 110 132 ILE HD1 H 0.991 0.02 1 1109 110 132 ILE C C 176.880 0.3 1 1110 110 132 ILE CA C 62.972 0.3 1 1111 110 132 ILE CB C 39.023 0.3 1 1112 110 132 ILE CG1 C 27.373 0.3 1 1113 110 132 ILE CG2 C 18.296 0.3 1 1114 110 132 ILE CD1 C 14.479 0.3 1 1115 110 132 ILE N N 123.385 0.25 1 1116 111 133 VAL H H 8.650 0.02 1 1117 111 133 VAL HA H 4.653 0.02 1 1118 111 133 VAL HB H 2.337 0.02 1 1119 111 133 VAL HG1 H 0.905 0.02 2 1120 111 133 VAL HG2 H 0.706 0.02 2 1121 111 133 VAL C C 175.568 0.3 1 1122 111 133 VAL CA C 61.624 0.3 1 1123 111 133 VAL CB C 32.671 0.3 1 1124 111 133 VAL CG1 C 21.530 0.3 1 1125 111 133 VAL CG2 C 18.536 0.3 1 1126 111 133 VAL N N 120.844 0.25 1 1127 112 134 ASN H H 7.892 0.02 1 1128 112 134 ASN HA H 4.914 0.02 1 1129 112 134 ASN HB2 H 3.032 0.02 2 1130 112 134 ASN HB3 H 2.915 0.02 2 1131 112 134 ASN HD21 H 6.969 0.02 2 1132 112 134 ASN HD22 H 7.723 0.02 2 1133 112 134 ASN CA C 53.511 0.3 1 1134 112 134 ASN CB C 40.594 0.3 1 1135 112 134 ASN N N 118.297 0.25 1 1136 112 134 ASN ND2 N 113.187 0.25 1 1137 116 138 GLY HA2 H 3.893 0.02 2 1138 116 138 GLY HA3 H 3.864 0.02 2 1139 116 138 GLY C C 175.950 0.3 1 1140 116 138 GLY CA C 46.020 0.3 1 1141 117 139 LEU H H 7.242 0.02 1 1142 117 139 LEU HA H 3.342 0.02 1 1143 117 139 LEU HB2 H 0.583 0.02 2 1144 117 139 LEU HB3 H -0.001 0.02 2 1145 117 139 LEU HG H 0.786 0.02 1 1146 117 139 LEU HD1 H 0.495 0.02 2 1147 117 139 LEU HD2 H 0.495 0.02 2 1148 117 139 LEU C C 176.761 0.3 1 1149 117 139 LEU CA C 56.201 0.3 1 1150 117 139 LEU CB C 38.139 0.3 1 1151 117 139 LEU CG C 26.546 0.3 1 1152 117 139 LEU CD1 C 22.168 0.3 1 1153 117 139 LEU CD2 C 22.168 0.3 1 1154 117 139 LEU N N 119.709 0.25 1 1155 118 140 LYS H H 6.943 0.02 1 1156 118 140 LYS HA H 3.938 0.02 1 1157 118 140 LYS HB2 H 2.032 0.02 2 1158 118 140 LYS HB3 H 1.819 0.02 2 1159 118 140 LYS HG2 H 1.577 0.02 1 1160 118 140 LYS HG3 H 1.577 0.02 1 1161 118 140 LYS HD2 H 1.826 0.02 1 1162 118 140 LYS HD3 H 1.826 0.02 1 1163 118 140 LYS HE2 H 3.093 0.02 1 1164 118 140 LYS HE3 H 3.093 0.02 1 1165 118 140 LYS C C 178.574 0.3 1 1166 118 140 LYS CA C 58.995 0.3 1 1167 118 140 LYS CB C 32.062 0.3 1 1168 118 140 LYS CG C 26.135 0.3 1 1169 118 140 LYS CD C 29.313 0.3 1 1170 118 140 LYS CE C 42.293 0.3 1 1171 118 140 LYS N N 112.942 0.25 1 1172 119 141 GLY H H 7.508 0.02 1 1173 119 141 GLY HA2 H 4.217 0.02 2 1174 119 141 GLY HA3 H 3.692 0.02 2 1175 119 141 GLY C C 174.041 0.3 1 1176 119 141 GLY CA C 44.900 0.3 1 1177 119 141 GLY N N 106.569 0.25 1 1178 120 142 VAL H H 7.057 0.02 1 1179 120 142 VAL HA H 3.660 0.02 1 1180 120 142 VAL HB H 1.627 0.02 1 1181 120 142 VAL HG1 H 0.295 0.02 2 1182 120 142 VAL HG2 H 0.248 0.02 2 1183 120 142 VAL C C 175.162 0.3 1 1184 120 142 VAL CA C 63.324 0.3 1 1185 120 142 VAL CB C 31.353 0.3 1 1186 120 142 VAL CG1 C 22.457 0.3 1 1187 120 142 VAL CG2 C 19.484 0.3 1 1188 120 142 VAL N N 121.912 0.25 1 1189 121 143 ALA H H 8.561 0.02 1 1190 121 143 ALA HA H 4.482 0.02 1 1191 121 143 ALA HB H 1.497 0.02 1 1192 121 143 ALA C C 177.119 0.3 1 1193 121 143 ALA CA C 50.425 0.3 1 1194 121 143 ALA CB C 20.703 0.3 1 1195 121 143 ALA N N 132.450 0.25 1 1196 122 144 ASP H H 8.339 0.02 1 1197 122 144 ASP HA H 4.180 0.02 1 1198 122 144 ASP HB2 H 2.678 0.02 2 1199 122 144 ASP HB3 H 2.629 0.02 2 1200 122 144 ASP C C 177.763 0.3 1 1201 122 144 ASP CA C 56.544 0.3 1 1202 122 144 ASP CB C 42.434 0.3 1 1203 122 144 ASP N N 118.527 0.25 1 1204 123 145 GLY H H 9.059 0.02 1 1205 123 145 GLY HA2 H 4.422 0.02 2 1206 123 145 GLY HA3 H 3.617 0.02 2 1207 123 145 GLY C C 174.971 0.3 1 1208 123 145 GLY CA C 45.184 0.3 1 1209 123 145 GLY N N 113.219 0.25 1 1210 124 146 GLU H H 7.527 0.02 1 1211 124 146 GLU HA H 4.255 0.02 1 1212 124 146 GLU HB2 H 2.514 0.02 1 1213 124 146 GLU HB3 H 1.905 0.02 1 1214 124 146 GLU HG2 H 3.141 0.02 1 1215 124 146 GLU HG3 H 2.252 0.02 1 1216 124 146 GLU C C 176.546 0.3 1 1217 124 146 GLU CA C 58.382 0.3 1 1218 124 146 GLU CB C 31.235 0.3 1 1219 124 146 GLU CG C 37.838 0.3 1 1220 124 146 GLU N N 119.927 0.25 1 1221 125 147 SER H H 9.489 0.02 1 1222 125 147 SER HA H 4.564 0.02 1 1223 125 147 SER HB2 H 3.981 0.02 1 1224 125 147 SER HB3 H 3.981 0.02 1 1225 125 147 SER C C 172.514 0.3 1 1226 125 147 SER CA C 59.761 0.3 1 1227 125 147 SER CB C 64.084 0.3 1 1228 125 147 SER N N 118.552 0.25 1 1229 126 148 VAL H H 7.802 0.02 1 1230 126 148 VAL HA H 4.724 0.02 1 1231 126 148 VAL HB H 1.155 0.02 1 1232 126 148 VAL HG1 H -0.150 0.02 2 1233 126 148 VAL HG2 H -0.414 0.02 2 1234 126 148 VAL C C 174.041 0.3 1 1235 126 148 VAL CA C 58.872 0.3 1 1236 126 148 VAL CB C 34.955 0.3 1 1237 126 148 VAL CG1 C 22.116 0.3 1 1238 126 148 VAL CG2 C 18.538 0.3 1 1239 126 148 VAL N N 118.994 0.25 1 1240 127 149 VAL H H 8.173 0.02 1 1241 127 149 VAL HA H 5.012 0.02 1 1242 127 149 VAL HB H 1.750 0.02 1 1243 127 149 VAL HG1 H 0.892 0.02 2 1244 127 149 VAL HG2 H 0.832 0.02 2 1245 127 149 VAL C C 174.160 0.3 1 1246 127 149 VAL CA C 60.348 0.3 1 1247 127 149 VAL CB C 35.347 0.3 1 1248 127 149 VAL CG1 C 20.987 0.3 1 1249 127 149 VAL CG2 C 20.937 0.3 1 1250 127 149 VAL N N 126.690 0.25 1 1251 128 150 VAL H H 9.194 0.02 1 1252 128 150 VAL HA H 4.855 0.02 1 1253 128 150 VAL HB H 2.082 0.02 1 1254 128 150 VAL HG1 H 0.842 0.02 2 1255 128 150 VAL HG2 H 0.842 0.02 2 1256 128 150 VAL C C 174.518 0.3 1 1257 128 150 VAL CA C 60.584 0.3 1 1258 128 150 VAL CB C 33.391 0.3 1 1259 128 150 VAL CG1 C 22.434 0.3 1 1260 128 150 VAL CG2 C 22.434 0.3 1 1261 128 150 VAL N N 126.945 0.25 1 1262 129 151 GLU H H 8.787 0.02 1 1263 129 151 GLU HA H 5.016 0.02 1 1264 129 151 GLU HB2 H 2.076 0.02 2 1265 129 151 GLU HB3 H 1.986 0.02 2 1266 129 151 GLU HG2 H 2.232 0.02 2 1267 129 151 GLU HG3 H 2.145 0.02 2 1268 129 151 GLU C C 173.611 0.3 1 1269 129 151 GLU CA C 53.392 0.3 1 1270 129 151 GLU CB C 34.278 0.3 1 1271 129 151 GLU CG C 35.412 0.3 1 1272 129 151 GLU N N 122.256 0.25 1 1273 130 152 ARG H H 9.282 0.02 1 1274 130 152 ARG HA H 4.271 0.02 1 1275 130 152 ARG HB2 H 1.943 0.02 1 1276 130 152 ARG HB3 H 1.943 0.02 1 1277 130 152 ARG HG2 H 1.800 0.02 2 1278 130 152 ARG HG3 H 1.623 0.02 2 1279 130 152 ARG HD2 H 3.219 0.02 1 1280 130 152 ARG HD3 H 3.219 0.02 1 1281 130 152 ARG C C 176.641 0.3 1 1282 130 152 ARG CA C 57.729 0.3 1 1283 130 152 ARG CB C 30.231 0.3 1 1284 130 152 ARG CG C 28.744 0.3 1 1285 130 152 ARG CD C 43.296 0.3 1 1286 130 152 ARG N N 122.105 0.25 1 1287 131 153 ALA H H 8.399 0.02 1 1288 131 153 ALA HA H 4.341 0.02 1 1289 131 153 ALA HB H 1.251 0.02 1 1290 131 153 ALA CA C 52.440 0.3 1 1291 131 153 ALA CB C 19.206 0.3 1 1292 131 153 ALA N N 126.448 0.25 1 stop_ save_