data_6755 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for TA0743 ; _BMRB_accession_number 6755 _BMRB_flat_file_name bmr6755.str _Entry_type original _Submission_date 2005-07-28 _Accession_date 2005-07-28 _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 Kim BeomKyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 718 "13C chemical shifts" 360 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-24 original author . stop_ _Original_release_date 2006-04-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the conserved novel-fold protein TA0743 from Thermoplasma acidophilum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16374782 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim BeomKyu . . 2 Jung Jingwon . . 3 Hong Eunmi . . 4 Yee Adelinda . . 5 Arrowsmith Cheryl H. . 6 Lee Weontae . . stop_ _Journal_abbreviation Proteins _Journal_volume 62 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 819 _Page_last 821 _Year 2006 _Details . loop_ _Keyword TA0743 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TA0743 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TA0743 $TA0743_from_thermoplasma_acidophilum stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TA0743_from_thermoplasma_acidophilum _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TA0743 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; MGTSHHHHHHSSGRENLYFQ SHMQKGLEIAFQTINGLDES LVQALAGVTASDFPDLDIKY NIFLVDLYGQKYFRILFQSK KLSELHPEERKKVREKFDEN SRMQYSELMTKYHDLKKQGK IKDRPVKEVHEEYDLWEDPI WQYIGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -22 MET 2 -21 GLY 3 -20 THR 4 -19 SER 5 -18 HIS 6 -17 HIS 7 -16 HIS 8 -15 HIS 9 -14 HIS 10 -13 HIS 11 -12 SER 12 -11 SER 13 -10 GLY 14 -9 ARG 15 -8 GLU 16 -7 ASN 17 -6 LEU 18 -5 TYR 19 -4 PHE 20 -3 GLN 21 -2 SER 22 -1 HIS 23 1 MET 24 2 GLN 25 3 LYS 26 4 GLY 27 5 LEU 28 6 GLU 29 7 ILE 30 8 ALA 31 9 PHE 32 10 GLN 33 11 THR 34 12 ILE 35 13 ASN 36 14 GLY 37 15 LEU 38 16 ASP 39 17 GLU 40 18 SER 41 19 LEU 42 20 VAL 43 21 GLN 44 22 ALA 45 23 LEU 46 24 ALA 47 25 GLY 48 26 VAL 49 27 THR 50 28 ALA 51 29 SER 52 30 ASP 53 31 PHE 54 32 PRO 55 33 ASP 56 34 LEU 57 35 ASP 58 36 ILE 59 37 LYS 60 38 TYR 61 39 ASN 62 40 ILE 63 41 PHE 64 42 LEU 65 43 VAL 66 44 ASP 67 45 LEU 68 46 TYR 69 47 GLY 70 48 GLN 71 49 LYS 72 50 TYR 73 51 PHE 74 52 ARG 75 53 ILE 76 54 LEU 77 55 PHE 78 56 GLN 79 57 SER 80 58 LYS 81 59 LYS 82 60 LEU 83 61 SER 84 62 GLU 85 63 LEU 86 64 HIS 87 65 PRO 88 66 GLU 89 67 GLU 90 68 ARG 91 69 LYS 92 70 LYS 93 71 VAL 94 72 ARG 95 73 GLU 96 74 LYS 97 75 PHE 98 76 ASP 99 77 GLU 100 78 ASN 101 79 SER 102 80 ARG 103 81 MET 104 82 GLN 105 83 TYR 106 84 SER 107 85 GLU 108 86 LEU 109 87 MET 110 88 THR 111 89 LYS 112 90 TYR 113 91 HIS 114 92 ASP 115 93 LEU 116 94 LYS 117 95 LYS 118 96 GLN 119 97 GLY 120 98 LYS 121 99 ILE 122 100 LYS 123 101 ASP 124 102 ARG 125 103 PRO 126 104 VAL 127 105 LYS 128 106 GLU 129 107 VAL 130 108 HIS 131 109 GLU 132 110 GLU 133 111 TYR 134 112 ASP 135 113 LEU 136 114 TRP 137 115 GLU 138 116 ASP 139 117 PRO 140 118 ILE 141 119 TRP 142 120 GLN 143 121 TYR 144 122 ILE 145 123 GLY 146 124 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 2ABY "Solution Structure Of Ta0743 From Thermoplasma Acidophilum" 100.00 146 100.00 100.00 6.21e-103 EMBL CAC11877 "hypothetical protein [Thermoplasma acidophilum]" 83.56 122 100.00 100.00 4.14e-83 REF NP_394207 "hypothetical protein Ta0743 [Thermoplasma acidophilum DSM 1728]" 83.56 122 100.00 100.00 4.14e-83 REF WP_010901158 "hypothetical protein [Thermoplasma acidophilum]" 83.56 122 100.00 100.00 4.14e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TA0743_from_thermoplasma_acidophilum 'Thermoplasma acidophilum' 2303 Archaea . Thermoplasma acidophilum 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 $TA0743_from_thermoplasma_acidophilum 'recombinant technology' E.coli Escherichia Coli . . 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 $TA0743_from_thermoplasma_acidophilum 1.6 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500.13 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_NOESY _Sample_label . save_ save_13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_NOESY _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_(H)CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _Sample_label . 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 0.1 pH pressure 1 0 atm temperature 298 0 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external 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 TA0743 _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 LYS HA H 4.237 0 1 2 4 26 GLY H H 8.012 0.006 1 3 4 26 GLY HA2 H 3.916 0.006 1 4 4 26 GLY HA3 H 3.856 0.006 1 5 4 26 GLY CA C 45.359 0.3 1 6 4 26 GLY N N 110.406 0.17 1 7 5 27 LEU H H 8.704 0.006 1 8 5 27 LEU HA H 4.803 0.006 1 9 5 27 LEU HB2 H 1.974 0.006 1 10 5 27 LEU HB3 H 1.388 0.006 1 11 5 27 LEU HG H 1.473 0.006 1 12 5 27 LEU HD1 H 0.923 0.006 1 13 5 27 LEU HD2 H 0.742 0.006 1 14 5 27 LEU CA C 53.504 0.3 1 15 5 27 LEU CB C 47.652 0.3 1 16 5 27 LEU CG C 27.224 0.3 1 17 5 27 LEU CD1 C 23.774 0.3 1 18 5 27 LEU N N 124.396 0.17 1 19 6 28 GLU H H 8.914 0.006 1 20 6 28 GLU HA H 5.354 0.006 1 21 6 28 GLU HB2 H 2.047 0.006 1 22 6 28 GLU HB3 H 2.047 0.006 1 23 6 28 GLU HG2 H 2.216 0.006 1 24 6 28 GLU HG3 H 2.083 0.006 1 25 6 28 GLU CA C 54.637 0.3 1 26 6 28 GLU CB C 32.562 0.3 1 27 6 28 GLU CG C 36.585 0.3 1 28 6 28 GLU N N 127.165 0.17 1 29 7 29 ILE H H 9.159 0.006 1 30 7 29 ILE HA H 4.177 0.006 1 31 7 29 ILE HB H 1.296 0.006 1 32 7 29 ILE HG12 H 0.869 0.006 1 33 7 29 ILE HG13 H 0.869 0.006 1 34 7 29 ILE HG2 H 0.291 0.006 1 35 7 29 ILE HD1 H 0.206 0.006 1 36 7 29 ILE CA C 60.96 0.3 1 37 7 29 ILE CB C 41.424 0.3 1 38 7 29 ILE CG2 C 13.5 0.3 1 39 7 29 ILE CD1 C 16.472 0.3 1 40 7 29 ILE N N 125.785 0.17 1 41 8 30 ALA H H 8.602 0.006 1 42 8 30 ALA HA H 5.327 0.006 1 43 8 30 ALA HB H 1.329 0.006 1 44 8 30 ALA CA C 50.644 0.3 1 45 8 30 ALA CB C 20.367 0.3 1 46 8 30 ALA N N 130.198 0.17 1 47 9 31 PHE H H 9.433 0.006 1 48 9 31 PHE HA H 4.933 0.006 1 49 9 31 PHE HB2 H 2.993 0.006 1 50 9 31 PHE HB3 H 2.906 0.006 1 51 9 31 PHE HD1 H 7.219 0.006 1 52 9 31 PHE HD2 H 7.219 0.006 1 53 9 31 PHE CA C 57.91 0.3 1 54 9 31 PHE CB C 43.883 0.3 1 55 9 31 PHE N N 124.122 0.17 1 56 10 32 GLN H H 8.126 0.006 1 57 10 32 GLN HA H 4.485 0.006 1 58 10 32 GLN HB2 H 1.867 0.006 1 59 10 32 GLN HB3 H 1.701 0.006 1 60 10 32 GLN CA C 55.067 0.3 1 61 10 32 GLN CB C 30.493 0.3 1 62 10 32 GLN N N 126.76 0.17 1 63 11 33 THR H H 8.063 0.006 1 64 11 33 THR HA H 4.478 0.006 1 65 11 33 THR HB H 4.386 0.006 1 66 11 33 THR HG2 H 1.163 0.006 1 67 11 33 THR CA C 59.953 0.3 1 68 11 33 THR CB C 69.489 0.3 1 69 11 33 THR CG2 C 22.324 0.3 1 70 11 33 THR N N 113.943 0.17 1 71 12 34 ILE H H 8.354 0.006 1 72 12 34 ILE HA H 4.137 0.006 1 73 12 34 ILE HB H 1.834 0.006 1 74 12 34 ILE HG12 H 1.386 0.006 1 75 12 34 ILE HG13 H 1.386 0.006 1 76 12 34 ILE HG2 H 0.856 0.006 1 77 12 34 ILE HD1 H 0.797 0.006 1 78 12 34 ILE CA C 61.854 0.3 1 79 12 34 ILE CB C 38.81 0.3 1 80 12 34 ILE CG2 C 17.51 0.3 1 81 12 34 ILE CD1 C 13.06 0.3 1 82 12 34 ILE N N 121.409 0.17 1 83 13 35 ASN H H 8.442 0.006 1 84 13 35 ASN HA H 4.662 0.006 1 85 13 35 ASN HB2 H 2.89 0.006 1 86 13 35 ASN HB3 H 2.771 0.006 1 87 13 35 ASN CA C 53.899 0.3 1 88 13 35 ASN CB C 38.37 0.3 1 89 13 35 ASN N N 119.39 0.17 1 90 14 36 GLY HA2 H 4.11 0.006 1 91 14 36 GLY HA3 H 3.678 0.006 1 92 14 36 GLY CA C 44.905 0.3 1 93 15 37 LEU H H 8.284 0.006 1 94 15 37 LEU HA H 4.392 0.006 1 95 15 37 LEU HB2 H 1.685 0.006 1 96 15 37 LEU HB3 H 1.546 0.006 1 97 15 37 LEU HD1 H 0.757 0.006 1 98 15 37 LEU HD2 H 0.687 0.006 1 99 15 37 LEU CA C 54.78 0.3 1 100 15 37 LEU CB C 41.594 0.3 1 101 15 37 LEU CD1 C 25.073 0.3 1 102 15 37 LEU CD2 C 23.464 0.3 1 103 15 37 LEU N N 122.253 0.17 1 104 16 38 ASP H H 8.012 0.006 1 105 16 38 ASP HA H 4.766 0.006 1 106 16 38 ASP HB2 H 2.907 0.006 1 107 16 38 ASP HB3 H 2.614 0.006 1 108 16 38 ASP CA C 52.901 0.3 1 109 16 38 ASP CB C 41.075 0.3 1 110 16 38 ASP N N 122.9 0.17 1 111 17 39 GLU H H 8.677 0.006 1 112 17 39 GLU HA H 3.58 0.006 1 113 17 39 GLU HB2 H 2.158 0.006 1 114 17 39 GLU HB3 H 2.043 0.006 1 115 17 39 GLU HG2 H 2.238 0.006 1 116 17 39 GLU HG3 H 2.238 0.006 1 117 17 39 GLU CA C 59.323 0.3 1 118 17 39 GLU CB C 29.88 0.3 1 119 17 39 GLU CG C 36.87 0.3 1 120 17 39 GLU N N 123.624 0.17 1 121 18 40 SER H H 8.274 0.006 1 122 18 40 SER HA H 3.892 0.006 1 123 18 40 SER HB2 H 4.006 0.006 1 124 18 40 SER HB3 H 4.006 0.006 1 125 18 40 SER CA C 61.84 0.3 1 126 18 40 SER N N 114.835 0.17 1 127 19 41 LEU H H 7.232 0.006 1 128 19 41 LEU HA H 3.786 0.006 1 129 19 41 LEU HB2 H 1.859 0.006 1 130 19 41 LEU HB3 H 1.611 0.006 1 131 19 41 LEU HG H 1.326 0.006 1 132 19 41 LEU HD1 H 1.079 0.006 1 133 19 41 LEU HD2 H 0.786 0.006 1 134 19 41 LEU CA C 57.48 0.3 1 135 19 41 LEU CB C 41.669 0.3 1 136 19 41 LEU CD1 C 26.105 0.3 1 137 19 41 LEU CD2 C 23.138 0.3 1 138 19 41 LEU N N 122.557 0.17 1 139 20 42 VAL H H 6.952 0.006 1 140 20 42 VAL HA H 3.17 0.006 1 141 20 42 VAL HB H 1.386 0.006 1 142 20 42 VAL HG1 H 0.341 0.006 1 143 20 42 VAL HG2 H 0.198 0.006 1 144 20 42 VAL CA C 66.467 0.3 1 145 20 42 VAL CB C 30.912 0.3 1 146 20 42 VAL CG1 C 21.567 0.3 1 147 20 42 VAL CG2 C 22.274 0.3 1 148 20 42 VAL N N 116.446 0.17 1 149 21 43 GLN H H 8.047 0.006 1 150 21 43 GLN HA H 3.82 0.006 1 151 21 43 GLN HB2 H 1.971 0.006 1 152 21 43 GLN HB3 H 1.971 0.006 1 153 21 43 GLN HG2 H 2.277 0.006 1 154 21 43 GLN HG3 H 2.148 0.006 1 155 21 43 GLN CA C 58.671 0.3 1 156 21 43 GLN CB C 27.312 0.3 1 157 21 43 GLN CG C 36.16 0.3 1 158 21 43 GLN N N 119.067 0.17 1 159 22 44 ALA H H 7.345 0.006 1 160 22 44 ALA HA H 3.147 0.006 1 161 22 44 ALA HB H 0.774 0.006 1 162 22 44 ALA CA C 54.443 0.3 1 163 22 44 ALA CB C 18.194 0.3 1 164 22 44 ALA N N 121.745 0.17 1 165 23 45 LEU H H 8.503 0.006 1 166 23 45 LEU HA H 3.429 0.006 1 167 23 45 LEU HB2 H 1.285 0.006 1 168 23 45 LEU HB3 H 0.794 0.006 1 169 23 45 LEU HG H 1.225 0.006 1 170 23 45 LEU HD1 H 0.054 0.006 1 171 23 45 LEU HD2 H 0.031 0.006 1 172 23 45 LEU CA C 58.046 0.3 1 173 23 45 LEU CB C 42.232 0.3 1 174 23 45 LEU CG C 25.94 0.3 1 175 23 45 LEU CD1 C 25.335 0.3 1 176 23 45 LEU CD2 C 24.072 0.3 1 177 23 45 LEU N N 118.125 0.17 1 178 24 46 ALA H H 8.517 0.006 1 179 24 46 ALA HA H 3.94 0.006 1 180 24 46 ALA HB H 1.006 0.006 1 181 24 46 ALA CA C 55.77 0.3 1 182 24 46 ALA CB C 19.663 0.3 1 183 24 46 ALA N N 121.808 0.17 1 184 25 47 GLY HA2 H 3.886 0.006 1 185 25 47 GLY HA3 H 3.65 0.006 1 186 25 47 GLY CA C 47.68 0.3 1 187 26 48 VAL H H 9.137 0.006 1 188 26 48 VAL HA H 3.416 0.006 1 189 26 48 VAL HB H 1.91 0.006 1 190 26 48 VAL HG1 H 0.911 0.006 1 191 26 48 VAL HG2 H 0.707 0.006 1 192 26 48 VAL CA C 66.754 0.3 1 193 26 48 VAL CB C 30.948 0.3 1 194 26 48 VAL CG1 C 23.861 0.3 1 195 26 48 VAL CG2 C 21.18 0.3 1 196 26 48 VAL N N 122.308 0.17 1 197 27 49 THR H H 7.236 0.006 1 198 27 49 THR HA H 4.234 0.006 1 199 27 49 THR HB H 3.952 0.006 1 200 27 49 THR CA C 68.599 0.3 1 201 27 49 THR CB C 68.19 0.3 1 202 27 49 THR N N 114.372 0.17 1 203 28 50 ALA H H 8.25 0.006 1 204 28 50 ALA HA H 3.907 0.006 1 205 28 50 ALA HB H 1.444 0.006 1 206 28 50 ALA CA C 56.172 0.3 1 207 28 50 ALA CB C 18.372 0.3 1 208 28 50 ALA N N 120.643 0.17 1 209 29 51 SER H H 7.687 0.006 1 210 29 51 SER HA H 4.197 0.006 1 211 29 51 SER HB2 H 3.925 0.006 1 212 29 51 SER HB3 H 3.925 0.006 1 213 29 51 SER CA C 60.813 0.3 1 214 29 51 SER CB C 63.649 0.3 1 215 29 51 SER N N 112.175 0.17 1 216 30 52 ASP H H 7.442 0.006 1 217 30 52 ASP HA H 4.431 0.006 1 218 30 52 ASP HB2 H 2.804 0.006 1 219 30 52 ASP HB3 H 1.905 0.006 1 220 30 52 ASP CA C 55.66 0.3 1 221 30 52 ASP CB C 41.963 0.3 1 222 30 52 ASP N N 121.599 0.17 1 223 31 53 PHE H H 7.124 0.006 1 224 31 53 PHE HA H 4.125 0.006 1 225 31 53 PHE HB2 H 3.071 0.006 1 226 31 53 PHE HB3 H 3.071 0.006 1 227 31 53 PHE HD1 H 6.871 0.006 1 228 31 53 PHE HD2 H 6.871 0.006 1 229 31 53 PHE HE1 H 6.673 0.006 1 230 31 53 PHE HE2 H 6.673 0.006 1 231 31 53 PHE CA C 55.844 0.3 1 232 31 53 PHE CB C 40.07 0.3 1 233 31 53 PHE N N 115.311 0.17 1 234 32 54 PRO HA H 4.459 0.006 1 235 32 54 PRO HB2 H 2.389 0.006 1 236 32 54 PRO HB3 H 1.919 0.006 1 237 32 54 PRO HG2 H 1.997 0.006 1 238 32 54 PRO HG3 H 1.881 0.006 1 239 32 54 PRO HD2 H 3.617 0.006 1 240 32 54 PRO HD3 H 3.491 0.006 1 241 32 54 PRO CA C 65.33 0.3 1 242 32 54 PRO CB C 31.74 0.3 1 243 33 55 ASP H H 8.962 0.006 1 244 33 55 ASP HA H 4.508 0.006 1 245 33 55 ASP HB2 H 2.717 0.006 1 246 33 55 ASP HB3 H 2.644 0.006 1 247 33 55 ASP CA C 55.08 0.3 1 248 33 55 ASP CB C 39.79 0.3 1 249 33 55 ASP N N 115.056 0.17 1 250 34 56 LEU H H 7.483 0.006 1 251 34 56 LEU HA H 4.266 0.006 1 252 34 56 LEU HB2 H 1.811 0.006 1 253 34 56 LEU HB3 H 1.316 0.006 1 254 34 56 LEU HG H 1.577 0.006 1 255 34 56 LEU CA C 55.25 0.3 1 256 34 56 LEU CB C 41.81 0.3 1 257 34 56 LEU CG C 29.13 0.3 1 258 34 56 LEU CD1 C 24.676 0.3 1 259 34 56 LEU N N 116.257 0.17 1 260 34 56 LEU HD1 H 1.264 0.006 1 261 35 57 ASP H H 7.716 0.006 1 262 35 57 ASP HA H 4.339 0.006 1 263 35 57 ASP HB2 H 2.963 0.006 1 264 35 57 ASP HB3 H 2.427 0.006 1 265 35 57 ASP CA C 55.454 0.3 1 266 35 57 ASP CB C 39.404 0.3 1 267 35 57 ASP N N 120.521 0.17 1 268 36 58 ILE H H 8.767 0.006 1 269 36 58 ILE HA H 4.329 0.006 1 270 36 58 ILE HB H 1.848 0.006 1 271 36 58 ILE HG12 H 0.763 0.006 1 272 36 58 ILE HG13 H 0.763 0.006 1 273 36 58 ILE HG2 H 1.074 0.006 1 274 36 58 ILE HD1 H 0.867 0.006 1 275 36 58 ILE CA C 62.62 0.3 1 276 36 58 ILE CB C 39.43 0.3 1 277 36 58 ILE CG1 C 29.79 0.3 1 278 36 58 ILE CG2 C 19.504 0.3 1 279 36 58 ILE CD1 C 14.346 0.3 1 280 36 58 ILE N N 118.636 0.17 1 281 37 59 LYS H H 8.889 0.006 1 282 37 59 LYS HA H 4.825 0.006 1 283 37 59 LYS HB2 H 2.131 0.006 1 284 37 59 LYS HB3 H 2.028 0.006 1 285 37 59 LYS HG2 H 1.626 0.006 1 286 37 59 LYS HG3 H 1.562 0.006 1 287 37 59 LYS HD2 H 1.809 0.006 1 288 37 59 LYS HD3 H 1.737 0.006 1 289 37 59 LYS HE2 H 3.001 0.006 1 290 37 59 LYS HE3 H 3.001 0.006 1 291 37 59 LYS CA C 55.181 0.3 1 292 37 59 LYS CB C 34.55 0.3 1 293 37 59 LYS CG C 25.04 0.3 1 294 37 59 LYS CD C 28.823 0.3 1 295 37 59 LYS CE C 42.49 0.3 1 296 37 59 LYS N N 128.448 0.17 1 297 38 60 TYR H H 8.342 0.006 1 298 38 60 TYR HA H 4.363 0.006 1 299 38 60 TYR HB2 H 2.553 0.006 1 300 38 60 TYR HB3 H 2.525 0.006 1 301 38 60 TYR HD1 H 6.456 0.006 1 302 38 60 TYR HD2 H 6.456 0.006 1 303 38 60 TYR CA C 55.33 0.3 1 304 38 60 TYR CB C 43.335 0.3 1 305 38 60 TYR N N 118.359 0.17 1 306 39 61 ASN H H 8.284 0.006 1 307 39 61 ASN HA H 4.447 0.006 1 308 39 61 ASN HB2 H 1.601 0.006 1 309 39 61 ASN HB3 H 1.379 0.006 1 310 39 61 ASN CA C 52.71 0.3 1 311 39 61 ASN CB C 44.068 0.3 1 312 39 61 ASN N N 116.267 0.17 1 313 40 62 ILE H H 9.162 0.006 1 314 40 62 ILE HA H 4.386 0.006 1 315 40 62 ILE HB H 1.318 0.006 1 316 40 62 ILE HG12 H 0.647 0.006 1 317 40 62 ILE HG13 H 0.647 0.006 1 318 40 62 ILE HG2 H 0.729 0.006 1 319 40 62 ILE HD1 H 0.66 0.006 1 320 40 62 ILE CA C 61.025 0.3 1 321 40 62 ILE CB C 40.92 0.3 1 322 40 62 ILE CG1 C 27.6 0.3 1 323 40 62 ILE CG2 C 19.631 0.3 1 324 40 62 ILE CD1 C 14.209 0.3 1 325 40 62 ILE N N 120.557 0.17 1 326 41 63 PHE H H 8.904 0.006 1 327 41 63 PHE HA H 5.316 0.006 1 328 41 63 PHE HB2 H 2.718 0.006 1 329 41 63 PHE HB3 H 2.63 0.006 1 330 41 63 PHE HD1 H 7.02 0.006 1 331 41 63 PHE HD2 H 7.02 0.006 1 332 41 63 PHE HE1 H 6.824 0.006 1 333 41 63 PHE HE2 H 6.824 0.006 1 334 41 63 PHE CA C 55.038 0.3 1 335 41 63 PHE CB C 41.14 0.3 1 336 41 63 PHE N N 123.947 0.17 1 337 42 64 LEU H H 8.623 0.006 1 338 42 64 LEU HA H 4.398 0.006 1 339 42 64 LEU HB2 H 1.392 0.006 1 340 42 64 LEU HB3 H 1.392 0.006 1 341 42 64 LEU HG H 1.558 0.006 1 342 42 64 LEU HD1 H 0.76 0.006 1 343 42 64 LEU HD2 H 0.704 0.006 1 344 42 64 LEU CA C 54.38 0.3 1 345 42 64 LEU CB C 42.72 0.3 1 346 42 64 LEU CG C 26.945 0.3 1 347 42 64 LEU CD1 C 25.34 0.3 1 348 42 64 LEU CD2 C 23.5 0.3 1 349 42 64 LEU N N 127.025 0.17 1 350 43 65 VAL H H 8.814 0.006 1 351 43 65 VAL HA H 4.043 0.006 1 352 43 65 VAL HB H 1.172 0.006 1 353 43 65 VAL HG1 H 0.563 0.006 1 354 43 65 VAL HG2 H 0.402 0.006 1 355 43 65 VAL CA C 61.69 0.3 1 356 43 65 VAL CB C 32.314 0.3 1 357 43 65 VAL CG1 C 21.862 0.3 1 358 43 65 VAL CG2 C 20.531 0.3 1 359 43 65 VAL N N 128.207 0.17 1 360 44 66 ASP H H 7.895 0.006 1 361 44 66 ASP HA H 5.05 0.006 1 362 44 66 ASP HB2 H 2.571 0.006 1 363 44 66 ASP HB3 H 2.06 0.006 1 364 44 66 ASP CA C 52.098 0.3 1 365 44 66 ASP CB C 41.693 0.3 1 366 44 66 ASP N N 125.56 0.17 1 367 45 67 LEU H H 7.931 0.006 1 368 45 67 LEU HA H 4.306 0.006 1 369 45 67 LEU HB2 H 1.157 0.006 1 370 45 67 LEU HB3 H 0.904 0.006 1 371 45 67 LEU HG H 0.46 0.006 1 372 45 67 LEU CA C 53.802 0.3 1 373 45 67 LEU CB C 45.889 0.3 1 374 45 67 LEU CG C 24.002 0.3 1 375 45 67 LEU CD2 C 24.152 0.3 1 376 45 67 LEU N N 122.218 0.17 1 377 46 68 TYR H H 8.811 0.006 1 378 46 68 TYR HA H 4.266 0.006 1 379 46 68 TYR HB2 H 3.232 0.006 1 380 46 68 TYR HB3 H 3.048 0.006 1 381 46 68 TYR HD1 H 6.995 0.006 1 382 46 68 TYR HD2 H 6.995 0.006 1 383 46 68 TYR HE1 H 6.759 0.006 1 384 46 68 TYR HE2 H 6.759 0.006 1 385 46 68 TYR CA C 57.546 0.3 1 386 46 68 TYR CB C 35.663 0.3 1 387 46 68 TYR N N 120.83 0.17 1 388 47 69 GLY HA2 H 4.136 0.006 1 389 47 69 GLY HA3 H 3.636 0.006 1 390 47 69 GLY CA C 45.5 0.3 1 391 48 70 GLN H H 7.766 0.006 1 392 48 70 GLN HA H 4.545 0.006 1 393 48 70 GLN HB2 H 2.076 0.006 1 394 48 70 GLN HB3 H 2.076 0.006 1 395 48 70 GLN HG2 H 2.279 0.006 1 396 48 70 GLN HG3 H 2.279 0.006 1 397 48 70 GLN CA C 55.039 0.3 1 398 48 70 GLN CB C 31.332 0.3 1 399 48 70 GLN CG C 33.81 0.3 1 400 48 70 GLN N N 120.17 0.17 1 401 49 71 LYS H H 8.186 0.006 1 402 49 71 LYS HA H 5.55 0.006 1 403 49 71 LYS HB2 H 1.528 0.006 1 404 49 71 LYS HB3 H 1.394 0.006 1 405 49 71 LYS HG2 H 1.238 0.006 1 406 49 71 LYS HG3 H 1.077 0.006 1 407 49 71 LYS HD2 H 1.436 0.006 1 408 49 71 LYS HD3 H 1.436 0.006 1 409 49 71 LYS HE2 H 2.751 0.006 1 410 49 71 LYS HE3 H 2.751 0.006 1 411 49 71 LYS CA C 54.794 0.3 1 412 49 71 LYS CB C 35.352 0.3 1 413 49 71 LYS CG C 25.378 0.3 1 414 49 71 LYS CD C 30.03 0.3 1 415 49 71 LYS CE C 42.039 0.3 1 416 49 71 LYS N N 121.337 0.17 1 417 50 72 TYR H H 8.436 0.006 1 418 50 72 TYR HA H 4.675 0.006 1 419 50 72 TYR HB2 H 3.086 0.006 1 420 50 72 TYR HB3 H 2.886 0.006 1 421 50 72 TYR HD1 H 7.168 0.006 1 422 50 72 TYR HD2 H 7.168 0.006 1 423 50 72 TYR HE1 H 6.851 0.006 1 424 50 72 TYR HE2 H 6.851 0.006 1 425 50 72 TYR CA C 56.349 0.3 1 426 50 72 TYR CB C 39.44 0.3 1 427 50 72 TYR N N 120.046 0.17 1 428 51 73 PHE H H 8.74 0.006 1 429 51 73 PHE HA H 5.602 0.006 1 430 51 73 PHE HB2 H 3.152 0.006 1 431 51 73 PHE HB3 H 2.771 0.006 1 432 51 73 PHE HD1 H 7.174 0.006 1 433 51 73 PHE HD2 H 7.174 0.006 1 434 51 73 PHE HE1 H 7.026 0.006 1 435 51 73 PHE HE2 H 7.026 0.006 1 436 51 73 PHE CA C 57.344 0.3 1 437 51 73 PHE CB C 41.86 0.3 1 438 51 73 PHE N N 116.506 0.17 1 439 52 74 ARG H H 9.522 0.006 1 440 52 74 ARG HA H 5.068 0.006 1 441 52 74 ARG HB2 H 1.497 0.006 1 442 52 74 ARG HB3 H 1.36 0.006 1 443 52 74 ARG HG2 H 1.512 0.006 1 444 52 74 ARG HG3 H 1.512 0.006 1 445 52 74 ARG HD2 H 3.003 0.006 1 446 52 74 ARG HD3 H 2.93 0.006 1 447 52 74 ARG CA C 55.58 0.3 1 448 52 74 ARG CB C 33.32 0.3 1 449 52 74 ARG CG C 28.26 0.3 1 450 52 74 ARG CD C 43.97 0.3 1 451 52 74 ARG N N 121.638 0.17 1 452 53 75 ILE H H 9.217 0.006 1 453 53 75 ILE HA H 4.408 0.006 1 454 53 75 ILE HB H 1.508 0.006 1 455 53 75 ILE HG12 H 1.428 0.006 1 456 53 75 ILE HG13 H 1.428 0.006 1 457 53 75 ILE HG2 H 0.096 0.006 1 458 53 75 ILE HD1 H 0.13 0.006 1 459 53 75 ILE CA C 61.08 0.3 1 460 53 75 ILE CB C 39.88 0.3 1 461 53 75 ILE CG1 C 28.67 0.3 1 462 53 75 ILE CG2 C 20.279 0.3 1 463 53 75 ILE CD1 C 16.824 0.3 1 464 53 75 ILE N N 124.806 0.17 1 465 54 76 LEU H H 8.487 0.006 1 466 54 76 LEU HA H 4.926 0.006 1 467 54 76 LEU HB2 H 1.329 0.006 1 468 54 76 LEU HB3 H 1.329 0.006 1 469 54 76 LEU CA C 55.432 0.3 1 470 54 76 LEU CB C 44.2 0.3 1 471 54 76 LEU CG C 25.046 0.3 1 472 54 76 LEU CD1 C 23.069 0.3 1 473 54 76 LEU N N 130.515 0.17 1 474 54 76 LEU HD1 H 0.484 0.006 1 475 55 77 PHE H H 9.448 0.006 1 476 55 77 PHE HA H 5.082 0.006 1 477 55 77 PHE HB2 H 3.248 0.006 1 478 55 77 PHE HB3 H 2.706 0.006 1 479 55 77 PHE HD1 H 7.086 0.006 1 480 55 77 PHE HD2 H 7.086 0.006 1 481 55 77 PHE HE1 H 6.866 0.006 1 482 55 77 PHE HE2 H 6.866 0.006 1 483 55 77 PHE CA C 55.936 0.3 1 484 55 77 PHE CB C 40.331 0.3 1 485 55 77 PHE N N 120.773 0.17 1 486 56 78 GLN H H 9.956 0.006 1 487 56 78 GLN HA H 4.82 0.006 1 488 56 78 GLN HB2 H 1.845 0.006 1 489 56 78 GLN HB3 H 1.845 0.006 1 490 56 78 GLN CA C 55.23 0.3 1 491 56 78 GLN CB C 32.597 0.3 1 492 56 78 GLN N N 125.746 0.17 1 493 57 79 SER H H 8.054 0.006 1 494 57 79 SER HA H 4.069 0.006 1 495 57 79 SER HB2 H 3.925 0.006 1 496 57 79 SER HB3 H 3.925 0.006 1 497 57 79 SER CA C 57.479 0.3 1 498 57 79 SER CB C 64.359 0.3 1 499 57 79 SER N N 119.453 0.17 1 500 58 80 LYS HA H 4.057 0.006 1 501 58 80 LYS HB2 H 1.802 0.006 1 502 58 80 LYS HB3 H 1.802 0.006 1 503 58 80 LYS HG2 H 1.479 0.006 1 504 58 80 LYS HG3 H 1.479 0.006 1 505 58 80 LYS HD2 H 1.666 0.006 1 506 58 80 LYS HD3 H 1.666 0.006 1 507 58 80 LYS HE2 H 2.91 0.006 1 508 58 80 LYS HE3 H 2.91 0.006 1 509 58 80 LYS CA C 59.317 0.3 1 510 58 80 LYS CB C 32.33 0.3 1 511 58 80 LYS CG C 25.217 0.3 1 512 58 80 LYS CD C 29.63 0.3 1 513 58 80 LYS CE C 41.99 0.3 1 514 59 81 LYS H H 8.017 0.006 1 515 59 81 LYS HA H 4.27 0.006 1 516 59 81 LYS HB2 H 1.826 0.006 1 517 59 81 LYS HB3 H 1.826 0.006 1 518 59 81 LYS HG2 H 1.281 0.006 1 519 59 81 LYS HG3 H 1.281 0.006 1 520 59 81 LYS HD2 H 1.569 0.006 1 521 59 81 LYS HD3 H 1.569 0.006 1 522 59 81 LYS HE2 H 2.896 0.006 1 523 59 81 LYS HE3 H 2.896 0.006 1 524 59 81 LYS CA C 55.04 0.3 1 525 59 81 LYS CB C 32.857 0.3 1 526 59 81 LYS CG C 24.94 0.3 1 527 59 81 LYS CD C 29.49 0.3 1 528 59 81 LYS CE C 41.95 0.3 1 529 59 81 LYS N N 115.595 0.17 1 530 60 82 LEU H H 6.8 0.006 1 531 60 82 LEU HA H 4.661 0.006 1 532 60 82 LEU HB2 H 1.382 0.006 1 533 60 82 LEU HB3 H 1.283 0.006 1 534 60 82 LEU HG H 1.209 0.006 1 535 60 82 LEU HD1 H 0.792 0.006 1 536 60 82 LEU HD2 H 0.698 0.006 1 537 60 82 LEU CA C 53.159 0.3 1 538 60 82 LEU CB C 42.43 0.3 1 539 60 82 LEU CG C 26 0.3 1 540 60 82 LEU CD1 C 24.517 0.3 1 541 60 82 LEU CD2 C 23 0.3 1 542 60 82 LEU N N 111.6 0.17 1 543 61 83 SER H H 6.918 0.006 1 544 61 83 SER HA H 4.276 0.006 1 545 61 83 SER HB2 H 3.89 0.006 1 546 61 83 SER HB3 H 3.89 0.006 1 547 61 83 SER CA C 58.519 0.3 1 548 61 83 SER CB C 65.533 0.3 1 549 61 83 SER N N 115.411 0.17 1 550 62 84 GLU H H 9.475 0.006 1 551 62 84 GLU HA H 3.808 0.006 1 552 62 84 GLU HB2 H 2.159 0.006 1 553 62 84 GLU HB3 H 2.002 0.006 1 554 62 84 GLU HG2 H 2.271 0.006 1 555 62 84 GLU HG3 H 2.271 0.006 1 556 62 84 GLU CA C 58.78 0.3 1 557 62 84 GLU CB C 28.36 0.3 1 558 62 84 GLU N N 118.556 0.17 1 559 63 85 LEU H H 7.661 0.006 1 560 63 85 LEU HA H 4.193 0.006 1 561 63 85 LEU HB2 H 1.389 0.006 1 562 63 85 LEU HB3 H 1.267 0.006 1 563 63 85 LEU HD1 H 0.815 0.006 1 564 63 85 LEU HD2 H 0.716 0.006 1 565 63 85 LEU CA C 55.2 0.3 1 566 63 85 LEU CB C 41.49 0.3 1 567 63 85 LEU CD1 C 24.703 0.3 1 568 63 85 LEU CD2 C 22.69 0.3 1 569 63 85 LEU N N 118.6 0.17 1 570 64 86 HIS H H 7.846 0.006 1 571 64 86 HIS HA H 5.165 0.006 1 572 64 86 HIS HB2 H 3.448 0.006 1 573 64 86 HIS HB3 H 3.081 0.006 1 574 64 86 HIS HD1 H 7.19 0.006 1 575 64 86 HIS HE1 H 6.931 0.006 1 576 64 86 HIS CA C 54.2 0.3 1 577 64 86 HIS CB C 30.049 0.3 1 578 64 86 HIS N N 119.45 0.17 1 579 65 87 PRO HA H 4.129 0.006 1 580 65 87 PRO HB2 H 2.261 0.006 1 581 65 87 PRO HB3 H 2.261 0.006 1 582 65 87 PRO HG2 H 1.991 0.006 1 583 65 87 PRO HG3 H 1.991 0.006 1 584 65 87 PRO HD2 H 3.711 0.006 1 585 65 87 PRO HD3 H 3.711 0.006 1 586 65 87 PRO CA C 65.533 0.3 1 587 65 87 PRO CB C 31.41 0.3 1 588 65 87 PRO CG C 27.26 0.3 1 589 65 87 PRO CD C 50.538 0.3 1 590 66 88 GLU H H 9.027 0.006 1 591 66 88 GLU HA H 4.049 0.006 1 592 66 88 GLU HB2 H 1.991 0.006 1 593 66 88 GLU HB3 H 1.915 0.006 1 594 66 88 GLU HG2 H 2.282 0.006 1 595 66 88 GLU HG3 H 2.282 0.006 1 596 66 88 GLU CA C 59.83 0.3 1 597 66 88 GLU CB C 28.64 0.3 1 598 66 88 GLU CG C 36.49 0.3 1 599 66 88 GLU N N 120.018 0.17 1 600 67 89 GLU H H 8.696 0.006 1 601 67 89 GLU HA H 3.868 0.006 1 602 67 89 GLU HB2 H 1.681 0.006 1 603 67 89 GLU HB3 H 1.681 0.006 1 604 67 89 GLU HG2 H 2.572 0.006 1 605 67 89 GLU HG3 H 2.244 0.006 1 606 67 89 GLU CA C 60.903 0.3 1 607 67 89 GLU CB C 29.2 0.3 1 608 67 89 GLU CG C 37.74 0.3 1 609 67 89 GLU N N 122.434 0.17 1 610 68 90 ARG H H 7.743 0.006 1 611 68 90 ARG HA H 3.589 0.006 1 612 68 90 ARG HB2 H 1.781 0.006 1 613 68 90 ARG HB3 H 1.781 0.006 1 614 68 90 ARG HG2 H 1.842 0.006 1 615 68 90 ARG HG3 H 1.842 0.006 1 616 68 90 ARG HD2 H 3.075 0.006 1 617 68 90 ARG HD3 H 2.699 0.006 1 618 68 90 ARG CA C 59.989 0.3 1 619 68 90 ARG CB C 31.33 0.3 1 620 68 90 ARG CG C 28.88 0.3 1 621 68 90 ARG CD C 44.265 0.3 1 622 68 90 ARG N N 115.971 0.17 1 623 69 91 LYS H H 7.625 0.006 1 624 69 91 LYS HA H 3.881 0.006 1 625 69 91 LYS HB2 H 1.876 0.006 1 626 69 91 LYS HB3 H 1.876 0.006 1 627 69 91 LYS HG2 H 1.429 0.006 1 628 69 91 LYS HG3 H 1.262 0.006 1 629 69 91 LYS HD2 H 1.638 0.006 1 630 69 91 LYS HD3 H 1.638 0.006 1 631 69 91 LYS HE2 H 2.916 0.006 1 632 69 91 LYS HE3 H 2.916 0.006 1 633 69 91 LYS CA C 59.718 0.3 1 634 69 91 LYS CB C 32.52 0.3 1 635 69 91 LYS N N 118.523 0.17 1 636 70 92 LYS H H 7.78 0.006 1 637 70 92 LYS HA H 4.083 0.006 1 638 70 92 LYS HB2 H 1.838 0.006 1 639 70 92 LYS HB3 H 1.838 0.006 1 640 70 92 LYS HG2 H 1.523 0.006 1 641 70 92 LYS HG3 H 1.317 0.006 1 642 70 92 LYS HE2 H 2.934 0.006 1 643 70 92 LYS HE3 H 2.934 0.006 1 644 70 92 LYS CA C 59.7 0.3 1 645 70 92 LYS CB C 32.602 0.3 1 646 70 92 LYS CG C 25.556 0.3 1 647 70 92 LYS CE C 41.87 0.3 1 648 70 92 LYS N N 117.84 0.17 1 649 71 93 VAL H H 7.784 0.006 1 650 71 93 VAL HA H 3.28 0.006 1 651 71 93 VAL HB H 1.466 0.006 1 652 71 93 VAL HG1 H 0.086 0.006 1 653 71 93 VAL HG2 H -0.162 0.006 1 654 71 93 VAL CA C 66.232 0.3 1 655 71 93 VAL CB C 30.45 0.3 1 656 71 93 VAL CG1 C 20.923 0.3 1 657 71 93 VAL CG2 C 21.731 0.3 1 658 71 93 VAL N N 120.044 0.17 1 659 72 94 ARG H H 7.864 0.006 1 660 72 94 ARG HA H 3.821 0.006 1 661 72 94 ARG HB2 H 1.959 0.006 1 662 72 94 ARG HB3 H 1.826 0.006 1 663 72 94 ARG HG2 H 1.678 0.006 1 664 72 94 ARG HG3 H 1.678 0.006 1 665 72 94 ARG HD2 H 3.214 0.006 1 666 72 94 ARG HD3 H 3.214 0.006 1 667 72 94 ARG CA C 59.81 0.3 1 668 72 94 ARG CB C 30.16 0.3 1 669 72 94 ARG CG C 27.65 0.3 1 670 72 94 ARG CD C 43.16 0.3 1 671 72 94 ARG N N 119.647 0.17 1 672 73 95 GLU H H 8.572 0.006 1 673 73 95 GLU HA H 4.138 0.006 1 674 73 95 GLU HB2 H 2.135 0.006 1 675 73 95 GLU HB3 H 2.022 0.006 1 676 73 95 GLU HG2 H 2.572 0.006 1 677 73 95 GLU HG3 H 2.288 0.006 1 678 73 95 GLU CA C 59.52 0.3 1 679 73 95 GLU CB C 29.23 0.3 1 680 73 95 GLU CG C 37.153 0.3 1 681 73 95 GLU N N 117.639 0.17 1 682 74 96 LYS H H 8.062 0.006 1 683 74 96 LYS HA H 4.277 0.006 1 684 74 96 LYS HB2 H 2.264 0.006 1 685 74 96 LYS HB3 H 2.264 0.006 1 686 74 96 LYS HG2 H 1.615 0.006 1 687 74 96 LYS HG3 H 1.615 0.006 1 688 74 96 LYS HD2 H 1.748 0.006 1 689 74 96 LYS HD3 H 1.64 0.006 1 690 74 96 LYS HE2 H 2.838 0.006 1 691 74 96 LYS HE3 H 2.703 0.006 1 692 74 96 LYS CA C 57.07 0.3 1 693 74 96 LYS CB C 31.13 0.3 1 694 74 96 LYS CG C 24.01 0.3 1 695 74 96 LYS CD C 27.12 0.3 1 696 74 96 LYS CE C 41.84 0.3 1 697 74 96 LYS N N 121.724 0.17 1 698 75 97 PHE H H 8.717 0.006 1 699 75 97 PHE HA H 4.09 0.006 1 700 75 97 PHE HB2 H 3.392 0.006 1 701 75 97 PHE HB3 H 2.867 0.006 1 702 75 97 PHE HD1 H 7.115 0.006 1 703 75 97 PHE HD2 H 7.115 0.006 1 704 75 97 PHE HE1 H 6.913 0.006 1 705 75 97 PHE HE2 H 6.913 0.006 1 706 75 97 PHE CA C 62.259 0.3 1 707 75 97 PHE CB C 39.094 0.3 1 708 75 97 PHE N N 121.667 0.17 1 709 76 98 ASP H H 8.24 0.006 1 710 76 98 ASP HA H 4.369 0.006 1 711 76 98 ASP HB2 H 2.882 0.006 1 712 76 98 ASP HB3 H 2.711 0.006 1 713 76 98 ASP CA C 57.869 0.3 1 714 76 98 ASP CB C 40.335 0.3 1 715 76 98 ASP N N 119.158 0.17 1 716 77 99 GLU H H 8.353 0.006 1 717 77 99 GLU HA H 3.802 0.006 1 718 77 99 GLU HB2 H 2.148 0.006 1 719 77 99 GLU HB3 H 2.148 0.006 1 720 77 99 GLU HG2 H 2.299 0.006 1 721 77 99 GLU HG3 H 2.11 0.006 1 722 77 99 GLU CA C 60.19 0.3 1 723 77 99 GLU CB C 29.895 0.3 1 724 77 99 GLU CG C 36.122 0.3 1 725 77 99 GLU N N 122.449 0.17 1 726 78 100 ASN H H 8.955 0.006 1 727 78 100 ASN HA H 4.373 0.006 1 728 78 100 ASN HB2 H 2.524 0.006 1 729 78 100 ASN HB3 H 2.036 0.006 1 730 78 100 ASN CA C 55.91 0.3 1 731 78 100 ASN CB C 36.872 0.3 1 732 78 100 ASN N N 120.491 0.17 1 733 79 101 SER H H 8.257 0.006 1 734 79 101 SER HA H 4.046 0.006 1 735 79 101 SER HB2 H 3.901 0.006 1 736 79 101 SER HB3 H 3.901 0.006 1 737 79 101 SER CA C 61.129 0.3 1 738 79 101 SER CB C 62.519 0.3 1 739 79 101 SER N N 115.385 0.17 1 740 80 102 ARG H H 7.303 0.006 1 741 80 102 ARG HA H 4.379 0.006 1 742 80 102 ARG HB2 H 1.986 0.006 1 743 80 102 ARG HB3 H 1.803 0.006 1 744 80 102 ARG HG2 H 1.829 0.006 1 745 80 102 ARG HG3 H 1.578 0.006 1 746 80 102 ARG HD2 H 3.241 0.006 1 747 80 102 ARG HD3 H 3.065 0.006 1 748 80 102 ARG CA C 56.08 0.3 1 749 80 102 ARG CB C 31.05 0.3 1 750 80 102 ARG CG C 28.22 0.3 1 751 80 102 ARG CD C 43.681 0.3 1 752 80 102 ARG N N 120.163 0.17 1 753 81 103 MET H H 7.186 0.006 1 754 81 103 MET HA H 4.108 0.006 1 755 81 103 MET HB2 H 2.135 0.006 1 756 81 103 MET HB3 H 2.012 0.006 1 757 81 103 MET HG2 H 2.698 0.006 1 758 81 103 MET HG3 H 2.609 0.006 1 759 81 103 MET HE H 1.929 0.006 1 760 81 103 MET CA C 56.85 0.3 1 761 81 103 MET CB C 34.591 0.3 1 762 81 103 MET CG C 32.066 0.3 1 763 81 103 MET CE C 16.237 0.3 1 764 81 103 MET N N 120.919 0.17 1 765 82 104 GLN H H 8.814 0.006 1 766 82 104 GLN HA H 4.118 0.006 1 767 82 104 GLN HB2 H 2.166 0.006 1 768 82 104 GLN HB3 H 1.961 0.006 1 769 82 104 GLN HG2 H 2.541 0.006 1 770 82 104 GLN HG3 H 2.541 0.006 1 771 82 104 GLN CA C 57.18 0.3 1 772 82 104 GLN CB C 28.814 0.3 1 773 82 104 GLN CG C 34.15 0.3 1 774 82 104 GLN N N 122.888 0.17 1 775 83 105 TYR H H 8.852 0.006 1 776 83 105 TYR HA H 3.927 0.006 1 777 83 105 TYR HB2 H 3.173 0.006 1 778 83 105 TYR HB3 H 2.976 0.006 1 779 83 105 TYR HD1 H 6.989 0.006 1 780 83 105 TYR HD2 H 6.989 0.006 1 781 83 105 TYR HE1 H 6.765 0.006 1 782 83 105 TYR HE2 H 6.765 0.006 1 783 83 105 TYR CA C 62.149 0.3 1 784 83 105 TYR CB C 38.668 0.3 1 785 83 105 TYR N N 127.683 0.17 1 786 84 106 SER H H 8.797 0.006 1 787 84 106 SER HA H 3.937 0.006 1 788 84 106 SER HB2 H 3.208 0.006 1 789 84 106 SER HB3 H 3.061 0.006 1 790 84 106 SER CA C 61.879 0.3 1 791 84 106 SER CB C 63.096 0.3 1 792 84 106 SER N N 111.004 0.17 1 793 85 107 GLU H H 6.955 0.006 1 794 85 107 GLU HA H 4.041 0.006 1 795 85 107 GLU HB2 H 2.064 0.006 1 796 85 107 GLU HB3 H 2.064 0.006 1 797 85 107 GLU HG2 H 2.26 0.006 1 798 85 107 GLU HG3 H 2.26 0.006 1 799 85 107 GLU CA C 58.94 0.3 1 800 85 107 GLU CB C 29.697 0.3 1 801 85 107 GLU CG C 36.42 0.3 1 802 85 107 GLU N N 123.316 0.17 1 803 86 108 LEU H H 7.928 0.006 1 804 86 108 LEU HA H 3.921 0.006 1 805 86 108 LEU HB2 H 1.613 0.006 1 806 86 108 LEU HB3 H 1.384 0.006 1 807 86 108 LEU HG H 1.17 0.006 1 808 86 108 LEU CA C 58.212 0.3 1 809 86 108 LEU CB C 41.045 0.3 1 810 86 108 LEU CG C 26.387 0.3 1 811 86 108 LEU CD1 C 22.68 0.3 1 812 86 108 LEU N N 122.631 0.17 1 813 86 108 LEU HD1 H 0.595 0.006 1 814 87 109 MET H H 8.27 0.006 1 815 87 109 MET HA H 4.242 0.006 1 816 87 109 MET HB2 H 1.924 0.006 1 817 87 109 MET HB3 H 1.632 0.006 1 818 87 109 MET HE H 1.57 0.006 1 819 87 109 MET CA C 56.62 0.3 1 820 87 109 MET CB C 30.05 0.3 1 821 87 109 MET CE C 16.577 0.3 1 822 87 109 MET N N 114.849 0.17 1 823 88 110 THR H H 7.866 0.006 1 824 88 110 THR HA H 3.931 0.006 1 825 88 110 THR HB H 4.183 0.006 1 826 88 110 THR HG2 H 1.101 0.006 1 827 88 110 THR CA C 67.103 0.3 1 828 88 110 THR CB C 68.705 0.3 1 829 88 110 THR N N 117.725 0.17 1 830 89 111 LYS H H 7.554 0.006 1 831 89 111 LYS HA H 4.067 0.006 1 832 89 111 LYS HB2 H 1.839 0.006 1 833 89 111 LYS HB3 H 1.839 0.006 1 834 89 111 LYS HG2 H 1.322 0.006 1 835 89 111 LYS HG3 H 1.322 0.006 1 836 89 111 LYS HD2 H 1.531 0.006 1 837 89 111 LYS HD3 H 1.531 0.006 1 838 89 111 LYS HE2 H 2.879 0.006 1 839 89 111 LYS HE3 H 2.879 0.006 1 840 89 111 LYS CA C 60.15 0.3 1 841 89 111 LYS CB C 32.5 0.3 1 842 89 111 LYS CG C 25.529 0.3 1 843 89 111 LYS CD C 29.42 0.3 1 844 89 111 LYS CE C 41.87 0.3 1 845 89 111 LYS N N 122.235 0.17 1 846 90 112 TYR H H 8.326 0.006 1 847 90 112 TYR HA H 4.023 0.006 1 848 90 112 TYR HB2 H 2.852 0.006 1 849 90 112 TYR HB3 H 2.852 0.006 1 850 90 112 TYR HD1 H 6.894 0.006 1 851 90 112 TYR HD2 H 6.894 0.006 1 852 90 112 TYR HE1 H 6.693 0.006 1 853 90 112 TYR HE2 H 6.693 0.006 1 854 90 112 TYR CA C 60.499 0.3 1 855 90 112 TYR CB C 38.788 0.3 1 856 90 112 TYR N N 119.187 0.17 1 857 91 113 HIS H H 8.61 0.006 1 858 91 113 HIS HA H 4.413 0.006 1 859 91 113 HIS HB2 H 3.779 0.006 1 860 91 113 HIS HB3 H 3.098 0.006 1 861 91 113 HIS HD1 H 6.913 0.006 1 862 91 113 HIS CA C 59.636 0.3 1 863 91 113 HIS CB C 29.33 0.3 1 864 91 113 HIS N N 117.576 0.17 1 865 92 114 ASP H H 8.383 0.006 1 866 92 114 ASP HA H 4.36 0.006 1 867 92 114 ASP HB2 H 2.828 0.006 1 868 92 114 ASP HB3 H 2.611 0.006 1 869 92 114 ASP CA C 57.89 0.3 1 870 92 114 ASP CB C 40.418 0.3 1 871 92 114 ASP N N 121.327 0.17 1 872 93 115 LEU H H 8.098 0.006 1 873 93 115 LEU HA H 3.923 0.006 1 874 93 115 LEU HB2 H 1.938 0.006 1 875 93 115 LEU HB3 H 1.82 0.006 1 876 93 115 LEU HG H 0.841 0.006 1 877 93 115 LEU HD1 H 0.851 0.006 1 878 93 115 LEU HD2 H 0.8 0.006 1 879 93 115 LEU CA C 58.08 0.3 1 880 93 115 LEU CB C 41.92 0.3 1 881 93 115 LEU CG C 26.467 0.3 1 882 93 115 LEU CD1 C 22.89 0.3 1 883 93 115 LEU N N 120.452 0.17 1 884 94 116 LYS H H 8.23 0.006 1 885 94 116 LYS HA H 4.176 0.006 1 886 94 116 LYS HB2 H 1.498 0.006 1 887 94 116 LYS HB3 H 1.498 0.006 1 888 94 116 LYS HG2 H 0.985 0.006 1 889 94 116 LYS HG3 H 0.985 0.006 1 890 94 116 LYS HD2 H 1.256 0.006 1 891 94 116 LYS HD3 H 1.256 0.006 1 892 94 116 LYS HE2 H 2.599 0.006 1 893 94 116 LYS HE3 H 2.281 0.006 1 894 94 116 LYS CA C 60.007 0.3 1 895 94 116 LYS CB C 32.006 0.3 1 896 94 116 LYS CG C 25.081 0.3 1 897 94 116 LYS CD C 29.459 0.3 1 898 94 116 LYS CE C 41.109 0.3 1 899 94 116 LYS N N 120.702 0.17 1 900 95 117 LYS H H 8.083 0.006 1 901 95 117 LYS HA H 3.961 0.006 1 902 95 117 LYS HB2 H 1.923 0.006 1 903 95 117 LYS HB3 H 1.923 0.006 1 904 95 117 LYS HG2 H 1.422 0.006 1 905 95 117 LYS HG3 H 1.422 0.006 1 906 95 117 LYS HD2 H 1.632 0.006 1 907 95 117 LYS HD3 H 1.632 0.006 1 908 95 117 LYS HE2 H 2.903 0.006 1 909 95 117 LYS HE3 H 2.903 0.006 1 910 95 117 LYS CA C 59.55 0.3 1 911 95 117 LYS CB C 31.876 0.3 1 912 95 117 LYS CG C 25.016 0.3 1 913 95 117 LYS CD C 29.404 0.3 1 914 95 117 LYS CE C 41.912 0.3 1 915 95 117 LYS N N 122.709 0.17 1 916 96 118 GLN H H 7.559 0.006 1 917 96 118 GLN HA H 4.229 0.006 1 918 96 118 GLN HB2 H 2.318 0.006 1 919 96 118 GLN HB3 H 1.988 0.006 1 920 96 118 GLN HG2 H 2.557 0.006 1 921 96 118 GLN HG3 H 2.557 0.006 1 922 96 118 GLN CA C 56.62 0.3 1 923 96 118 GLN CB C 30.08 0.3 1 924 96 118 GLN CG C 34.13 0.3 1 925 96 118 GLN N N 114.692 0.17 1 926 97 119 GLY HA2 H 4.147 0.006 1 927 97 119 GLY HA3 H 3.802 0.006 1 928 97 119 GLY CA C 45.59 0.3 1 929 98 120 LYS H H 7.911 0.006 1 930 98 120 LYS HA H 4.18 0.006 1 931 98 120 LYS HB2 H 1.922 0.006 1 932 98 120 LYS HB3 H 1.64 0.006 1 933 98 120 LYS HG2 H 1.403 0.006 1 934 98 120 LYS HG3 H 1.343 0.006 1 935 98 120 LYS HD2 H 1.652 0.006 1 936 98 120 LYS HD3 H 1.589 0.006 1 937 98 120 LYS HE2 H 2.928 0.006 1 938 98 120 LYS HE3 H 2.928 0.006 1 939 98 120 LYS CA C 57.139 0.3 1 940 98 120 LYS CB C 33.756 0.3 1 941 98 120 LYS CG C 25.43 0.3 1 942 98 120 LYS CD C 29.04 0.3 1 943 98 120 LYS N N 117.782 0.17 1 944 99 121 ILE H H 6.863 0.006 1 945 99 121 ILE HA H 4.439 0.006 1 946 99 121 ILE HB H 1.383 0.006 1 947 99 121 ILE HG12 H 1.273 0.006 1 948 99 121 ILE HG13 H 1.273 0.006 1 949 99 121 ILE HG2 H 0.838 0.006 1 950 99 121 ILE HD1 H 0.923 0.006 1 951 99 121 ILE CA C 59.19 0.3 1 952 99 121 ILE CB C 42.023 0.3 1 953 99 121 ILE CG1 C 27.088 0.3 1 954 99 121 ILE CG2 C 18.062 0.3 1 955 99 121 ILE CD1 C 15.047 0.3 1 956 99 121 ILE N N 114.528 0.17 1 957 100 122 LYS H H 8.395 0.006 1 958 100 122 LYS HA H 4.265 0.006 1 959 100 122 LYS HB2 H 1.714 0.006 1 960 100 122 LYS HB3 H 1.531 0.006 1 961 100 122 LYS HG2 H 1.266 0.006 1 962 100 122 LYS HG3 H 1.266 0.006 1 963 100 122 LYS HD2 H 1.565 0.006 1 964 100 122 LYS HD3 H 1.565 0.006 1 965 100 122 LYS HE2 H 2.893 0.006 1 966 100 122 LYS HE3 H 2.893 0.006 1 967 100 122 LYS CA C 55.261 0.3 1 968 100 122 LYS CB C 35.387 0.3 1 969 100 122 LYS CG C 24.63 0.3 1 970 100 122 LYS CD C 29.36 0.3 1 971 100 122 LYS CE C 41.97 0.3 1 972 100 122 LYS N N 124.56 0.17 1 973 101 123 ASP H H 8.195 0.006 1 974 101 123 ASP HA H 4.448 0.006 1 975 101 123 ASP HB2 H 2.395 0.006 1 976 101 123 ASP HB3 H 2.301 0.006 1 977 101 123 ASP CA C 55.4 0.3 1 978 101 123 ASP CB C 40.43 0.3 1 979 101 123 ASP N N 120.683 0.17 1 980 102 124 ARG H H 8.599 0.006 1 981 102 124 ARG HA H 4.513 0.006 1 982 102 124 ARG N N 121.202 0.17 1 983 103 125 PRO HA H 4.291 0.006 1 984 103 125 PRO HB2 H 1.976 0.006 1 985 103 125 PRO HB3 H 1.704 0.006 1 986 103 125 PRO HG2 H 1.966 0.006 1 987 103 125 PRO HG3 H 1.862 0.006 1 988 103 125 PRO HD2 H 3.596 0.006 1 989 103 125 PRO HD3 H 3.227 0.006 1 990 103 125 PRO CA C 61.757 0.3 1 991 103 125 PRO CB C 30.76 0.3 1 992 103 125 PRO CG C 27.289 0.3 1 993 103 125 PRO CD C 49.367 0.3 1 994 104 126 VAL H H 8.436 0.006 1 995 104 126 VAL HA H 3.763 0.006 1 996 104 126 VAL HB H 1.843 0.006 1 997 104 126 VAL HG1 H 0.739 0.006 1 998 104 126 VAL HG2 H 0.705 0.006 1 999 104 126 VAL CA C 62.84 0.3 1 1000 104 126 VAL CB C 31.495 0.3 1 1001 104 126 VAL CG1 C 21.934 0.3 1 1002 104 126 VAL CG2 C 21.63 0.3 1 1003 104 126 VAL N N 127.579 0.17 1 1004 105 127 LYS H H 7.864 0.006 1 1005 105 127 LYS HA H 4.434 0.006 1 1006 105 127 LYS HB2 H 1.542 0.006 1 1007 105 127 LYS HB3 H 1.311 0.006 1 1008 105 127 LYS HG2 H 1.286 0.006 1 1009 105 127 LYS HG3 H 1.286 0.006 1 1010 105 127 LYS HD2 H 1.595 0.006 1 1011 105 127 LYS HD3 H 1.595 0.006 1 1012 105 127 LYS HE2 H 3.013 0.006 1 1013 105 127 LYS HE3 H 3.013 0.006 1 1014 105 127 LYS CA C 54.91 0.3 1 1015 105 127 LYS CB C 33.48 0.3 1 1016 105 127 LYS CG C 25.21 0.3 1 1017 105 127 LYS CD C 29.44 0.3 1 1018 105 127 LYS CE C 41.99 0.3 1 1019 105 127 LYS N N 130.636 0.17 1 1020 106 128 GLU H H 8.769 0.006 1 1021 106 128 GLU HA H 4.865 0.006 1 1022 106 128 GLU HB2 H 1.988 0.006 1 1023 106 128 GLU HB3 H 1.988 0.006 1 1024 106 128 GLU HG2 H 2.283 0.006 1 1025 106 128 GLU HG3 H 2.283 0.006 1 1026 106 128 GLU CA C 56.301 0.3 1 1027 106 128 GLU CB C 30.21 0.3 1 1028 106 128 GLU CG C 36.784 0.3 1 1029 106 128 GLU N N 128.351 0.17 1 1030 107 129 VAL H H 8.803 0.006 1 1031 107 129 VAL HA H 4.315 0.006 1 1032 107 129 VAL HB H 1.947 0.006 1 1033 107 129 VAL HG1 H 1.016 0.006 1 1034 107 129 VAL HG2 H 0.961 0.006 1 1035 107 129 VAL CA C 61.527 0.3 1 1036 107 129 VAL CB C 35.332 0.3 1 1037 107 129 VAL CG1 C 22.346 0.3 1 1038 107 129 VAL CG2 C 21.88 0.3 1 1039 107 129 VAL N N 123.77 0.17 1 1040 108 130 HIS HA H 5.116 0.006 1 1041 108 130 HIS HB2 H 3.434 0.006 1 1042 108 130 HIS HB3 H 3.054 0.006 1 1043 108 130 HIS HD1 H 7.16 0.006 1 1044 108 130 HIS HE1 H 6.942 0.006 1 1045 108 130 HIS CA C 54.581 0.3 1 1046 108 130 HIS CB C 30.34 0.3 1 1047 109 131 GLU H H 7.369 0.006 1 1048 109 131 GLU HA H 4.486 0.006 1 1049 109 131 GLU HB2 H 2.061 0.006 1 1050 109 131 GLU HB3 H 1.894 0.006 1 1051 109 131 GLU HG2 H 2.203 0.006 1 1052 109 131 GLU HG3 H 2.09 0.006 1 1053 109 131 GLU CA C 54.93 0.3 1 1054 109 131 GLU CB C 33.201 0.3 1 1055 109 131 GLU CG C 36.006 0.3 1 1056 109 131 GLU N N 117.381 0.17 1 1057 110 132 GLU H H 8.706 0.006 1 1058 110 132 GLU HA H 4.146 0.006 1 1059 110 132 GLU HB2 H 1.972 0.006 1 1060 110 132 GLU HB3 H 1.864 0.006 1 1061 110 132 GLU HG2 H 2.249 0.006 1 1062 110 132 GLU HG3 H 2.113 0.006 1 1063 110 132 GLU CA C 56.78 0.3 1 1064 110 132 GLU CB C 29.804 0.3 1 1065 110 132 GLU CG C 36.423 0.3 1 1066 110 132 GLU N N 121.203 0.17 1 1067 111 133 TYR H H 7.611 0.006 1 1068 111 133 TYR HA H 4.574 0.006 1 1069 111 133 TYR HB2 H 3.148 0.006 1 1070 111 133 TYR HB3 H 2.899 0.006 1 1071 111 133 TYR HD1 H 7.014 0.006 1 1072 111 133 TYR HD2 H 7.014 0.006 1 1073 111 133 TYR HE1 H 6.77 0.006 1 1074 111 133 TYR HE2 H 6.77 0.006 1 1075 111 133 TYR CA C 56.33 0.3 1 1076 111 133 TYR CB C 38.06 0.3 1 1077 111 133 TYR N N 122.134 0.17 1 1078 112 134 ASP H H 8.474 0.006 1 1079 112 134 ASP HA H 4.404 0.006 1 1080 112 134 ASP HB2 H 2.906 0.006 1 1081 112 134 ASP HB3 H 2.508 0.006 1 1082 112 134 ASP CA C 54.16 0.3 1 1083 112 134 ASP CB C 40.42 0.3 1 1084 112 134 ASP N N 118.352 0.17 1 1085 113 135 LEU H H 8.004 0.006 1 1086 113 135 LEU HA H 3.454 0.006 1 1087 113 135 LEU HB2 H 0.932 0.006 1 1088 113 135 LEU HB3 H 0.932 0.006 1 1089 113 135 LEU HG H 1.146 0.006 1 1090 113 135 LEU HD1 H 0.009 0.006 1 1091 113 135 LEU HD2 H -0.262 0.006 1 1092 113 135 LEU CA C 56.796 0.3 1 1093 113 135 LEU CB C 40.714 0.3 1 1094 113 135 LEU CD1 C 24.759 0.3 1 1095 113 135 LEU CD2 C 21.423 0.3 1 1096 113 135 LEU N N 127.457 0.17 1 1097 114 136 TRP H H 8.104 0.006 1 1098 114 136 TRP HA H 3.955 0.006 1 1099 114 136 TRP HB2 H 3.231 0.006 1 1100 114 136 TRP HB3 H 3.012 0.006 1 1101 114 136 TRP HD1 H 6.815 0.006 1 1102 114 136 TRP HE1 H 10.566 0.006 1 1103 114 136 TRP CA C 59.022 0.3 1 1104 114 136 TRP CB C 27.972 0.3 1 1105 114 136 TRP N N 119.258 0.17 1 1106 114 136 TRP NE1 N 130.224 0.17 1 1107 115 137 GLU H H 7.768 0.006 1 1108 115 137 GLU HA H 4.515 0.006 1 1109 115 137 GLU HB2 H 2.387 0.006 1 1110 115 137 GLU HB3 H 1.994 0.006 1 1111 115 137 GLU HG2 H 2.297 0.006 1 1112 115 137 GLU HG3 H 2.087 0.006 1 1113 115 137 GLU CA C 54.9 0.3 1 1114 115 137 GLU CB C 29.81 0.3 1 1115 115 137 GLU CG C 36.062 0.3 1 1116 115 137 GLU N N 114.903 0.17 1 1117 116 138 ASP H H 7.379 0.006 1 1118 116 138 ASP HA H 4.79 0.006 1 1119 116 138 ASP HB2 H 2.894 0.006 1 1120 116 138 ASP HB3 H 2.894 0.006 1 1121 116 138 ASP CA C 54.081 0.3 1 1122 116 138 ASP CB C 44.77 0.3 1 1123 116 138 ASP N N 122.314 0.17 1 1124 117 139 PRO HA H 4.452 0.006 1 1125 117 139 PRO HB2 H 2.372 0.006 1 1126 117 139 PRO HB3 H 1.892 0.006 1 1127 117 139 PRO HG2 H 1.983 0.006 1 1128 117 139 PRO HG3 H 1.872 0.006 1 1129 117 139 PRO HD2 H 3.823 0.006 1 1130 117 139 PRO HD3 H 3.63 0.006 1 1131 117 139 PRO CA C 65.036 0.3 1 1132 117 139 PRO CB C 32.19 0.3 1 1133 117 139 PRO CG C 27.08 0.3 1 1134 117 139 PRO CD C 51.536 0.3 1 1135 118 140 ILE H H 9.683 0.006 1 1136 118 140 ILE HA H 3.872 0.006 1 1137 118 140 ILE HB H 1.577 0.006 1 1138 118 140 ILE HG12 H 1.073 0.006 1 1139 118 140 ILE HG13 H 1.073 0.006 1 1140 118 140 ILE HG2 H 0.77 0.006 1 1141 118 140 ILE HD1 H 0.386 0.006 1 1142 118 140 ILE CA C 63.58 0.3 1 1143 118 140 ILE CB C 37.726 0.3 1 1144 118 140 ILE CG1 C 28.777 0.3 1 1145 118 140 ILE CD1 C 14.619 0.3 1 1146 118 140 ILE N N 122.084 0.17 1 1147 119 141 TRP H H 7.304 0.006 1 1148 119 141 TRP HA H 4.272 0.006 1 1149 119 141 TRP HB2 H 3.453 0.006 1 1150 119 141 TRP HB3 H 3.453 0.006 1 1151 119 141 TRP HE1 H 9.792 0.006 1 1152 119 141 TRP CA C 58.506 0.3 1 1153 119 141 TRP CB C 29.377 0.3 1 1154 119 141 TRP N N 120.379 0.17 1 1155 119 141 TRP NE1 N 127.539 0.17 1 1156 120 142 GLN H H 7.884 0.006 1 1157 120 142 GLN HA H 4.285 0.006 1 1158 120 142 GLN HB2 H 2.155 0.006 1 1159 120 142 GLN HB3 H 1.96 0.006 1 1160 120 142 GLN HG2 H 2.543 0.006 1 1161 120 142 GLN HG3 H 2.543 0.006 1 1162 120 142 GLN CA C 56 0.3 1 1163 120 142 GLN CB C 28.88 0.3 1 1164 120 142 GLN CG C 34.22 0.3 1 1165 120 142 GLN N N 116.78 0.17 1 1166 121 143 TYR H H 7.598 0.006 1 1167 121 143 TYR HA H 4.522 0.006 1 1168 121 143 TYR HB2 H 2.908 0.006 1 1169 121 143 TYR HB3 H 2.755 0.006 1 1170 121 143 TYR HD1 H 7.042 0.006 1 1171 121 143 TYR HD2 H 7.042 0.006 1 1172 121 143 TYR HE1 H 6.679 0.006 1 1173 121 143 TYR HE2 H 6.679 0.006 1 1174 121 143 TYR CA C 58.02 0.3 1 1175 121 143 TYR CB C 38.29 0.3 1 1176 121 143 TYR N N 120.297 0.17 1 1177 122 144 ILE H H 7.982 0.006 1 1178 122 144 ILE HA H 4.096 0.006 1 1179 122 144 ILE HB H 1.802 0.006 1 1180 122 144 ILE HG12 H 1.382 0.006 1 1181 122 144 ILE HG13 H 1.123 0.006 1 1182 122 144 ILE HG2 H 0.838 0.006 1 1183 122 144 ILE HD1 H 0.794 0.006 1 1184 122 144 ILE CA C 61.15 0.3 1 1185 122 144 ILE CB C 38.741 0.3 1 1186 122 144 ILE CG1 C 27.141 0.3 1 1187 122 144 ILE CG2 C 17.429 0.3 1 1188 122 144 ILE CD1 C 13.04 0.3 1 1189 122 144 ILE N N 124.427 0.17 1 stop_ save_