data_6753 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H,13C, and 15N chemical shift assignments for the PH1 domain of alpha-syntrophin ; _BMRB_accession_number 6753 _BMRB_flat_file_name bmr6753.str _Entry_type original _Submission_date 2005-07-27 _Accession_date 2005-07-27 _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 Yan Jing . . 2 Wen Wenyu . . 3 Xu Weiguang . . 4 Long Jia-fu . . 5 Adams Marvin E. . 6 Froehner Stanley C. . 7 Zhang Mingjie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 896 "13C chemical shifts" 483 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-29 original author . stop_ _Original_release_date 2007-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the split PH domain and distinct lipid-binding properties of the PH-PDZ supramodule of alpha-syntrophin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16252003 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Jing . . 2 Wen Wenyu . . 3 Xu Weiguang . . 4 Long Jia-fu . . 5 Adams Marvin E. . 6 Froehner Stanley C. . 7 Zhang Mingjie . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 24 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3985 _Page_last 3995 _Year 2005 _Details . loop_ _Keyword 'split PH domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'split PH1 domain of alpha-syntrophin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'split PH domain' $split_PH1_domain_of_alpha-syntrophin 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_split_PH1_domain_of_alpha-syntrophin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'split PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 178 _Mol_residue_sequence ; ASGRRAPRTGLLELRCGAGS GAGGERWQRVLLSLAEDALT VSPADGEPGPEPEPAQLNGA AEPGAAPPQLPEALLLQREV SPYFKNSAGGTSVGWDSPPA SPLQRQPSSPGPQPRNLSEA KHVSLKMAYVSRRCTPTDPE PRYLEICAADGQDAVFLRAK DEASARSWAGAIQAQIGT ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 GLY 4 ARG 5 ARG 6 ALA 7 PRO 8 ARG 9 THR 10 GLY 11 LEU 12 LEU 13 GLU 14 LEU 15 ARG 16 CYS 17 GLY 18 ALA 19 GLY 20 SER 21 GLY 22 ALA 23 GLY 24 GLY 25 GLU 26 ARG 27 TRP 28 GLN 29 ARG 30 VAL 31 LEU 32 LEU 33 SER 34 LEU 35 ALA 36 GLU 37 ASP 38 ALA 39 LEU 40 THR 41 VAL 42 SER 43 PRO 44 ALA 45 ASP 46 GLY 47 GLU 48 PRO 49 GLY 50 PRO 51 GLU 52 PRO 53 GLU 54 PRO 55 ALA 56 GLN 57 LEU 58 ASN 59 GLY 60 ALA 61 ALA 62 GLU 63 PRO 64 GLY 65 ALA 66 ALA 67 PRO 68 PRO 69 GLN 70 LEU 71 PRO 72 GLU 73 ALA 74 LEU 75 LEU 76 LEU 77 GLN 78 ARG 79 GLU 80 VAL 81 SER 82 PRO 83 TYR 84 PHE 85 LYS 86 ASN 87 SER 88 ALA 89 GLY 90 GLY 91 THR 92 SER 93 VAL 94 GLY 95 TRP 96 ASP 97 SER 98 PRO 99 PRO 100 ALA 101 SER 102 PRO 103 LEU 104 GLN 105 ARG 106 GLN 107 PRO 108 SER 109 SER 110 PRO 111 GLY 112 PRO 113 GLN 114 PRO 115 ARG 116 ASN 117 LEU 118 SER 119 GLU 120 ALA 121 LYS 122 HIS 123 VAL 124 SER 125 LEU 126 LYS 127 MET 128 ALA 129 TYR 130 VAL 131 SER 132 ARG 133 ARG 134 CYS 135 THR 136 PRO 137 THR 138 ASP 139 PRO 140 GLU 141 PRO 142 ARG 143 TYR 144 LEU 145 GLU 146 ILE 147 CYS 148 ALA 149 ALA 150 ASP 151 GLY 152 GLN 153 ASP 154 ALA 155 VAL 156 PHE 157 LEU 158 ARG 159 ALA 160 LYS 161 ASP 162 GLU 163 ALA 164 SER 165 ALA 166 ARG 167 SER 168 TRP 169 ALA 170 GLY 171 ALA 172 ILE 173 GLN 174 ALA 175 GLN 176 ILE 177 GLY 178 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2ADZ "Solution Structure Of The Joined Ph Domain Of Alpha1- Syntrophin" 100.00 178 100.00 100.00 5.26e-121 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $split_PH1_domain_of_alpha-syntrophin Mouse 10090 Eukaryota Metazoa Mus musculus 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 $split_PH1_domain_of_alpha-syntrophin '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 $split_PH1_domain_of_alpha-syntrophin 1 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $split_PH1_domain_of_alpha-syntrophin 1 mM [U-15N] stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_3D_15N-separated_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_15C-separated_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15C-separated NOESY' _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 7 0.5 pH temperature 303 . 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 'split PH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.4100 0.04 . 2 1 1 ALA HB H 1.4200 0.04 . 3 1 1 ALA CA C 53.2500 0.50 . 4 1 1 ALA CB C 20.0800 0.50 . 5 2 2 SER H H 8.2600 0.04 . 6 2 2 SER CA C 59.5600 0.50 . 7 2 2 SER CB C 64.9580 0.50 . 8 2 2 SER N N 115.4000 0.40 . 9 3 3 GLY H H 8.3400 0.04 . 10 3 3 GLY HA2 H 3.9400 0.04 . 11 3 3 GLY HA3 H 3.9400 0.04 . 12 3 3 GLY CA C 46.2340 0.50 . 13 3 3 GLY N N 111.5000 0.40 . 14 4 4 ARG H H 8.1100 0.04 . 15 4 4 ARG HB2 H 1.7300 0.04 . 16 4 4 ARG HB3 H 1.7300 0.04 . 17 4 4 ARG CA C 57.0200 0.50 . 18 4 4 ARG N N 121.1910 0.40 . 19 5 5 ARG H H 8.2770 0.04 . 20 5 5 ARG HA H 4.3200 0.04 . 21 5 5 ARG HB2 H 1.7500 0.04 . 22 5 5 ARG HB3 H 1.8400 0.04 . 23 5 5 ARG HG2 H 1.6300 0.04 . 24 5 5 ARG HG3 H 1.6300 0.04 . 25 5 5 ARG HD2 H 3.1900 0.04 . 26 5 5 ARG HD3 H 3.1900 0.04 . 27 5 5 ARG CA C 56.4700 0.50 . 28 5 5 ARG CB C 31.8200 0.50 . 29 5 5 ARG CG C 27.9500 0.50 . 30 5 5 ARG CD C 43.9900 0.50 . 31 5 5 ARG N N 123.3800 0.40 . 32 6 6 ALA H H 8.3480 0.04 . 33 6 6 ALA HA H 4.5400 0.04 . 34 6 6 ALA HB H 1.3500 0.04 . 35 6 6 ALA CA C 51.2000 0.50 . 36 6 6 ALA CB C 18.9100 0.50 . 37 6 6 ALA N N 127.8480 0.40 . 38 7 7 PRO HA H 4.5800 0.04 . 39 7 7 PRO HB2 H 1.7500 0.04 . 40 7 7 PRO HB3 H 2.1500 0.04 . 41 7 7 PRO HG2 H 1.9200 0.04 . 42 7 7 PRO HG3 H 1.9200 0.04 . 43 7 7 PRO HD2 H 3.7800 0.04 . 44 7 7 PRO HD3 H 3.6100 0.04 . 45 7 7 PRO CA C 63.4600 0.50 . 46 7 7 PRO CB C 33.1500 0.50 . 47 7 7 PRO CG C 28.1300 0.50 . 48 7 7 PRO CD C 51.0700 0.50 . 49 8 8 ARG H H 8.2200 0.04 . 50 8 8 ARG HA H 4.5700 0.04 . 51 8 8 ARG HB2 H 1.7700 0.04 . 52 8 8 ARG HB3 H 1.7000 0.04 . 53 8 8 ARG HG2 H 1.5300 0.04 . 54 8 8 ARG HG3 H 1.2500 0.04 . 55 8 8 ARG HD2 H 2.7700 0.04 . 56 8 8 ARG HD3 H 2.2700 0.04 . 57 8 8 ARG CA C 56.4200 0.50 . 58 8 8 ARG CB C 32.7500 0.50 . 59 8 8 ARG CG C 28.2800 0.50 . 60 8 8 ARG CD C 43.9000 0.50 . 61 8 8 ARG N N 123.1000 0.40 . 62 9 9 THR H H 8.4420 0.04 . 63 9 9 THR HA H 6.1400 0.04 . 64 9 9 THR HB H 4.2400 0.04 . 65 9 9 THR HG2 H 1.2300 0.04 . 66 9 9 THR CA C 59.9600 0.50 . 67 9 9 THR CB C 73.0100 0.50 . 68 9 9 THR CG2 C 22.3100 0.50 . 69 9 9 THR N N 117.1450 0.40 . 70 10 10 GLY H H 8.5400 0.04 . 71 10 10 GLY HA2 H 4.3800 0.04 . 72 10 10 GLY HA3 H 4.3800 0.04 . 73 10 10 GLY CA C 46.3500 0.50 . 74 10 10 GLY N N 108.6400 0.40 . 75 11 11 LEU H H 8.5340 0.04 . 76 11 11 LEU HA H 5.3700 0.04 . 77 11 11 LEU HB2 H 1.6900 0.04 . 78 11 11 LEU HB3 H 1.4700 0.04 . 79 11 11 LEU HG H 1.6700 0.04 . 80 11 11 LEU HD1 H 0.9000 0.04 . 81 11 11 LEU HD2 H 0.8300 0.04 . 82 11 11 LEU CA C 55.1600 0.50 . 83 11 11 LEU CB C 44.0600 0.50 . 84 11 11 LEU CG C 27.9000 0.50 . 85 11 11 LEU CD1 C 26.4100 0.50 . 86 11 11 LEU CD2 C 25.3000 0.50 . 87 11 11 LEU N N 122.5800 0.40 . 88 12 12 LEU H H 8.9180 0.04 . 89 12 12 LEU HA H 4.6800 0.04 . 90 12 12 LEU HB2 H 1.6700 0.04 . 91 12 12 LEU HB3 H 0.9700 0.04 . 92 12 12 LEU HG H 1.4900 0.04 . 93 12 12 LEU HD1 H 0.1400 0.04 . 94 12 12 LEU HD2 H 0.4200 0.04 . 95 12 12 LEU CA C 55.6700 0.50 . 96 12 12 LEU CB C 47.2900 0.50 . 97 12 12 LEU CG C 30.1400 0.50 . 98 12 12 LEU CD1 C 25.8500 0.50 . 99 12 12 LEU CD2 C 26.7900 0.50 . 100 12 12 LEU N N 127.3250 0.40 . 101 13 13 GLU H H 7.8500 0.04 . 102 13 13 GLU HA H 5.4300 0.04 . 103 13 13 GLU HB2 H 1.9200 0.04 . 104 13 13 GLU HB3 H 2.1400 0.04 . 105 13 13 GLU HG2 H 1.9700 0.04 . 106 13 13 GLU HG3 H 2.1900 0.04 . 107 13 13 GLU CA C 55.6700 0.50 . 108 13 13 GLU CB C 35.9200 0.50 . 109 13 13 GLU CG C 38.1600 0.50 . 110 13 13 GLU N N 117.5000 0.40 . 111 14 14 LEU H H 9.8550 0.04 . 112 14 14 LEU HA H 5.0900 0.04 . 113 14 14 LEU HB2 H 1.2800 0.04 . 114 14 14 LEU HB3 H 1.8400 0.04 . 115 14 14 LEU HG H 1.6000 0.04 . 116 14 14 LEU HD1 H 1.0300 0.04 . 117 14 14 LEU HD2 H 0.8200 0.04 . 118 14 14 LEU CA C 54.1800 0.50 . 119 14 14 LEU CB C 48.5800 0.50 . 120 14 14 LEU CG C 27.6400 0.50 . 121 14 14 LEU CD1 C 26.1300 0.50 . 122 14 14 LEU CD2 C 28.4600 0.50 . 123 14 14 LEU N N 126.1800 0.40 . 124 15 15 ARG H H 8.8650 0.04 . 125 15 15 ARG HA H 3.4700 0.04 . 126 15 15 ARG HB2 H 0.9500 0.04 . 127 15 15 ARG HB3 H 1.8100 0.04 . 128 15 15 ARG HG2 H 1.0700 0.04 . 129 15 15 ARG HG3 H 0.4700 0.04 . 130 15 15 ARG HD2 H 2.6100 0.04 . 131 15 15 ARG HD3 H 2.8300 0.04 . 132 15 15 ARG CA C 57.7200 0.50 . 133 15 15 ARG CB C 30.9500 0.50 . 134 15 15 ARG CG C 27.3600 0.50 . 135 15 15 ARG CD C 44.0900 0.50 . 136 15 15 ARG N N 130.5000 0.40 . 137 16 16 CYS H H 8.6900 0.04 . 138 16 16 CYS HA H 4.6300 0.04 . 139 16 16 CYS HB2 H 2.7700 0.04 . 140 16 16 CYS HB3 H 2.6700 0.04 . 141 16 16 CYS CA C 58.4700 0.50 . 142 16 16 CYS CB C 29.9600 0.50 . 143 16 16 CYS N N 127.6470 0.40 . 144 17 17 GLY H H 8.2100 0.04 . 145 17 17 GLY HA2 H 3.8800 0.04 . 146 17 17 GLY HA3 H 3.9600 0.04 . 147 17 17 GLY CA C 45.6100 0.50 . 148 17 17 GLY N N 110.6000 0.40 . 149 18 18 ALA H H 8.2470 0.04 . 150 18 18 ALA HA H 4.2900 0.04 . 151 18 18 ALA HB H 1.2900 0.04 . 152 18 18 ALA CA C 52.8500 0.50 . 153 18 18 ALA CB C 20.7800 0.50 . 154 18 18 ALA N N 123.3970 0.40 . 155 19 19 GLY H H 8.4600 0.04 . 156 19 19 GLY HA2 H 3.9500 0.04 . 157 19 19 GLY HA3 H 3.8800 0.04 . 158 19 19 GLY CA C 46.0000 0.50 . 159 19 19 GLY N N 109.0000 0.40 . 160 20 20 SER H H 8.2370 0.04 . 161 20 20 SER HA H 4.4500 0.04 . 162 20 20 SER CA C 59.1660 0.50 . 163 20 20 SER CB C 65.1230 0.50 . 164 20 20 SER N N 116.3000 0.40 . 165 21 21 GLY H H 8.4160 0.04 . 166 21 21 GLY HA2 H 4.0300 0.04 . 167 21 21 GLY HA3 H 3.9100 0.04 . 168 21 21 GLY CA C 45.8000 0.50 . 169 21 21 GLY N N 111.7500 0.40 . 170 22 22 ALA H H 8.3140 0.04 . 171 22 22 ALA HA H 4.3100 0.04 . 172 22 22 ALA HB H 1.3600 0.04 . 173 22 22 ALA CA C 53.4400 0.50 . 174 22 22 ALA CB C 19.8800 0.50 . 175 22 22 ALA N N 124.9700 0.40 . 176 23 23 GLY H H 8.4730 0.04 . 177 23 23 GLY HA2 H 4.0000 0.04 . 178 23 23 GLY HA3 H 3.9000 0.04 . 179 23 23 GLY CA C 46.1200 0.50 . 180 23 23 GLY N N 109.3000 0.40 . 181 24 24 GLY H H 8.0350 0.04 . 182 24 24 GLY HA2 H 3.9300 0.04 . 183 24 24 GLY HA3 H 3.9300 0.04 . 184 24 24 GLY CA C 45.6100 0.50 . 185 24 24 GLY N N 109.0300 0.40 . 186 25 25 GLU H H 8.2900 0.04 . 187 25 25 GLU HA H 4.2700 0.04 . 188 25 25 GLU HB2 H 1.7700 0.04 . 189 25 25 GLU HB3 H 1.8500 0.04 . 190 25 25 GLU HG2 H 2.0500 0.04 . 191 25 25 GLU HG3 H 2.0500 0.04 . 192 25 25 GLU CA C 56.9800 0.50 . 193 25 25 GLU CB C 31.7500 0.50 . 194 25 25 GLU CG C 37.2200 0.50 . 195 25 25 GLU N N 120.9000 0.40 . 196 26 26 ARG H H 8.2100 0.04 . 197 26 26 ARG HA H 4.6000 0.04 . 198 26 26 ARG HB2 H 1.7200 0.04 . 199 26 26 ARG HB3 H 1.5700 0.04 . 200 26 26 ARG HG2 H 1.5300 0.04 . 201 26 26 ARG HG3 H 1.5300 0.04 . 202 26 26 ARG HD2 H 3.1800 0.04 . 203 26 26 ARG HD3 H 3.1800 0.04 . 204 26 26 ARG CA C 55.3000 0.50 . 205 26 26 ARG CB C 33.7200 0.50 . 206 26 26 ARG CG C 28.0900 0.50 . 207 26 26 ARG CD C 43.4100 0.50 . 208 26 26 ARG N N 123.6400 0.40 . 209 27 27 TRP H H 8.6000 0.04 . 210 27 27 TRP HA H 5.2200 0.04 . 211 27 27 TRP HB2 H 2.8700 0.04 . 212 27 27 TRP HB3 H 2.9600 0.04 . 213 27 27 TRP HD1 H 7.1700 0.04 . 214 27 27 TRP HE1 H 10.2200 0.04 . 215 27 27 TRP HE3 H 7.1360 0.04 . 216 27 27 TRP HZ2 H 7.6200 0.04 . 217 27 27 TRP HZ3 H 7.0500 0.04 . 218 27 27 TRP HH2 H 7.2000 0.04 . 219 27 27 TRP CA C 56.2300 0.50 . 220 27 27 TRP CB C 32.3800 0.50 . 221 27 27 TRP N N 123.7500 0.40 . 222 27 27 TRP NE1 N 130.7500 0.40 . 223 28 28 GLN H H 9.3940 0.04 . 224 28 28 GLN HA H 4.8200 0.04 . 225 28 28 GLN HB2 H 1.9900 0.04 . 226 28 28 GLN HB3 H 1.9900 0.04 . 227 28 28 GLN HG2 H 2.4300 0.04 . 228 28 28 GLN HG3 H 2.3400 0.04 . 229 28 28 GLN HE21 H 7.7200 0.04 . 230 28 28 GLN HE22 H 7.1800 0.04 . 231 28 28 GLN CA C 54.3700 0.50 . 232 28 28 GLN CB C 33.3100 0.50 . 233 28 28 GLN CG C 34.0100 0.50 . 234 28 28 GLN N N 126.0300 0.40 . 235 28 28 GLN NE2 N 109.7500 0.40 . 236 29 29 ARG H H 9.3300 0.04 . 237 29 29 ARG HA H 4.5400 0.04 . 238 29 29 ARG HB2 H 1.9000 0.04 . 239 29 29 ARG HB3 H 1.8300 0.04 . 240 29 29 ARG HG2 H 1.8400 0.04 . 241 29 29 ARG HG3 H 1.6400 0.04 . 242 29 29 ARG HD2 H 3.2500 0.04 . 243 29 29 ARG HD3 H 3.2500 0.04 . 244 29 29 ARG CA C 58.4700 0.50 . 245 29 29 ARG CB C 31.2600 0.50 . 246 29 29 ARG CG C 28.6100 0.50 . 247 29 29 ARG CD C 44.2700 0.50 . 248 29 29 ARG N N 129.7500 0.40 . 249 30 30 VAL H H 9.0400 0.04 . 250 30 30 VAL HA H 4.9600 0.04 . 251 30 30 VAL HB H 1.9400 0.04 . 252 30 30 VAL HG1 H 0.7200 0.04 . 253 30 30 VAL HG2 H 0.4700 0.04 . 254 30 30 VAL CA C 59.5900 0.50 . 255 30 30 VAL CB C 37.0400 0.50 . 256 30 30 VAL CG1 C 23.8000 0.50 . 257 30 30 VAL CG2 C 19.1400 0.50 . 258 30 30 VAL N N 118.9940 0.40 . 259 31 31 LEU H H 9.0100 0.04 . 260 31 31 LEU HA H 4.8100 0.04 . 261 31 31 LEU HB2 H 1.6600 0.04 . 262 31 31 LEU HB3 H 1.2600 0.04 . 263 31 31 LEU HG H 1.3800 0.04 . 264 31 31 LEU HD1 H 0.8700 0.04 . 265 31 31 LEU HD2 H 0.8300 0.04 . 266 31 31 LEU CA C 54.0000 0.50 . 267 31 31 LEU CB C 44.7600 0.50 . 268 31 31 LEU CG C 28.1800 0.50 . 269 31 31 LEU CD1 C 25.1000 0.50 . 270 31 31 LEU CD2 C 25.3100 0.50 . 271 31 31 LEU N N 123.0000 0.40 . 272 32 32 LEU H H 9.2300 0.04 . 273 32 32 LEU HA H 5.0700 0.04 . 274 32 32 LEU HB2 H 1.2200 0.04 . 275 32 32 LEU HB3 H 0.8900 0.04 . 276 32 32 LEU HG H 1.1800 0.04 . 277 32 32 LEU HD1 H 0.4200 0.04 . 278 32 32 LEU HD2 H -0.1100 0.04 . 279 32 32 LEU CA C 54.1800 0.50 . 280 32 32 LEU CB C 45.3700 0.50 . 281 32 32 LEU CG C 29.2600 0.50 . 282 32 32 LEU CD1 C 26.2200 0.50 . 283 32 32 LEU CD2 C 25.8600 0.50 . 284 32 32 LEU N N 130.5570 0.40 . 285 33 33 SER H H 8.7100 0.04 . 286 33 33 SER HA H 5.2900 0.04 . 287 33 33 SER HB2 H 3.7400 0.04 . 288 33 33 SER HB3 H 3.5700 0.04 . 289 33 33 SER CA C 57.1600 0.50 . 290 33 33 SER CB C 64.7500 0.50 . 291 33 33 SER N N 116.9270 0.40 . 292 34 34 LEU H H 9.4550 0.04 . 293 34 34 LEU HA H 4.9500 0.04 . 294 34 34 LEU HB2 H 2.2100 0.04 . 295 34 34 LEU HB3 H 1.4100 0.04 . 296 34 34 LEU HG H 1.7000 0.04 . 297 34 34 LEU HD1 H 0.9800 0.04 . 298 34 34 LEU HD2 H 0.9100 0.04 . 299 34 34 LEU CA C 54.7400 0.50 . 300 34 34 LEU CB C 45.9800 0.50 . 301 34 34 LEU CG C 28.4600 0.50 . 302 34 34 LEU CD1 C 26.2200 0.50 . 303 34 34 LEU CD2 C 27.7500 0.50 . 304 34 34 LEU N N 130.8100 0.40 . 305 35 35 ALA H H 8.4300 0.04 . 306 35 35 ALA HA H 4.7300 0.04 . 307 35 35 ALA HB H 1.5300 0.04 . 308 35 35 ALA CA C 51.5700 0.50 . 309 35 35 ALA CB C 21.8100 0.50 . 310 35 35 ALA N N 131.8000 0.40 . 311 36 36 GLU H H 8.5800 0.04 . 312 36 36 GLU HA H 3.9600 0.04 . 313 36 36 GLU HB2 H 2.0500 0.04 . 314 36 36 GLU HB3 H 2.0500 0.04 . 315 36 36 GLU HG2 H 2.3000 0.04 . 316 36 36 GLU HG3 H 2.3000 0.04 . 317 36 36 GLU CA C 59.4000 0.50 . 318 36 36 GLU CB C 29.7200 0.50 . 319 36 36 GLU CG C 37.4600 0.50 . 320 36 36 GLU N N 118.4270 0.40 . 321 37 37 ASP H H 8.3700 0.04 . 322 37 37 ASP HA H 4.6800 0.04 . 323 37 37 ASP HB2 H 2.9300 0.04 . 324 37 37 ASP HB3 H 2.7000 0.04 . 325 37 37 ASP CA C 54.0000 0.50 . 326 37 37 ASP CB C 41.8800 0.50 . 327 37 37 ASP N N 114.8970 0.40 . 328 38 38 ALA H H 7.6100 0.04 . 329 38 38 ALA HA H 4.9700 0.04 . 330 38 38 ALA HB H 1.2700 0.04 . 331 38 38 ALA CA C 52.6900 0.50 . 332 38 38 ALA CB C 23.2700 0.50 . 333 38 38 ALA N N 122.1910 0.40 . 334 39 39 LEU H H 8.7900 0.04 . 335 39 39 LEU HA H 5.2900 0.04 . 336 39 39 LEU HB2 H 1.7400 0.04 . 337 39 39 LEU HB3 H 1.4100 0.04 . 338 39 39 LEU HG H 1.5000 0.04 . 339 39 39 LEU HD1 H 0.8100 0.04 . 340 39 39 LEU HD2 H 0.7200 0.04 . 341 39 39 LEU CA C 53.6200 0.50 . 342 39 39 LEU CB C 46.6200 0.50 . 343 39 39 LEU CG C 27.7200 0.50 . 344 39 39 LEU CD1 C 25.4800 0.50 . 345 39 39 LEU CD2 C 27.2800 0.50 . 346 39 39 LEU N N 122.5570 0.40 . 347 40 40 THR H H 9.1810 0.04 . 348 40 40 THR HA H 5.2800 0.04 . 349 40 40 THR HB H 3.9700 0.04 . 350 40 40 THR HG2 H 1.0800 0.04 . 351 40 40 THR CA C 62.2000 0.50 . 352 40 40 THR CB C 71.1400 0.50 . 353 40 40 THR CG2 C 22.5000 0.50 . 354 40 40 THR N N 121.9750 0.40 . 355 41 41 VAL H H 9.0100 0.04 . 356 41 41 VAL HA H 4.7600 0.04 . 357 41 41 VAL HB H 1.9300 0.04 . 358 41 41 VAL HG1 H 0.7800 0.04 . 359 41 41 VAL HG2 H 0.7600 0.04 . 360 41 41 VAL CA C 60.9300 0.50 . 361 41 41 VAL CB C 34.3800 0.50 . 362 41 41 VAL CG1 C 23.0600 0.50 . 363 41 41 VAL CG2 C 21.0000 0.50 . 364 41 41 VAL N N 126.2770 0.40 . 365 42 42 SER H H 8.8800 0.04 . 366 42 42 SER HA H 5.0700 0.04 . 367 42 42 SER HB2 H 3.7500 0.04 . 368 42 42 SER HB3 H 3.7500 0.04 . 369 42 42 SER CA C 56.1700 0.50 . 370 42 42 SER CB C 64.4800 0.50 . 371 42 42 SER N N 121.5200 0.40 . 372 43 43 PRO HA H 4.3300 0.04 . 373 43 43 PRO HB2 H 2.2800 0.04 . 374 43 43 PRO HB3 H 1.9700 0.04 . 375 43 43 PRO HG2 H 1.7100 0.04 . 376 43 43 PRO HG3 H 2.0100 0.04 . 377 43 43 PRO HD2 H 3.6400 0.04 . 378 43 43 PRO HD3 H 3.4700 0.04 . 379 43 43 PRO CA C 64.6200 0.50 . 380 43 43 PRO CB C 32.8800 0.50 . 381 43 43 PRO CG C 28.8000 0.50 . 382 43 43 PRO CD C 50.7800 0.50 . 383 44 44 ALA H H 8.2640 0.04 . 384 44 44 ALA HA H 4.4900 0.04 . 385 44 44 ALA HB H 1.1600 0.04 . 386 44 44 ALA CA C 52.1300 0.50 . 387 44 44 ALA CB C 20.6400 0.50 . 388 44 44 ALA N N 127.3800 0.40 . 389 45 45 ASP H H 8.4000 0.04 . 390 45 45 ASP HA H 4.6300 0.04 . 391 45 45 ASP HB2 H 2.7000 0.04 . 392 45 45 ASP HB3 H 2.7000 0.04 . 393 45 45 ASP CA C 54.9300 0.50 . 394 45 45 ASP CB C 42.4400 0.50 . 395 45 45 ASP N N 120.1900 0.40 . 396 46 46 GLY H H 8.3500 0.04 . 397 46 46 GLY HA2 H 3.9500 0.04 . 398 46 46 GLY HA3 H 3.9500 0.04 . 399 46 46 GLY CA C 45.7770 0.50 . 400 46 46 GLY N N 109.2860 0.40 . 401 47 47 GLU H H 8.2300 0.04 . 402 47 47 GLU HA H 4.6100 0.04 . 403 47 47 GLU HB2 H 2.0600 0.04 . 404 47 47 GLU HB3 H 1.8900 0.04 . 405 47 47 GLU HG2 H 2.2700 0.04 . 406 47 47 GLU HG3 H 2.2700 0.04 . 407 47 47 GLU CA C 54.7400 0.50 . 408 47 47 GLU CB C 30.7000 0.50 . 409 47 47 GLU CG C 36.6600 0.50 . 410 47 47 GLU N N 122.3000 0.40 . 411 48 48 PRO HA H 4.4800 0.04 . 412 48 48 PRO HB2 H 2.2800 0.04 . 413 48 48 PRO HB3 H 2.0000 0.04 . 414 48 48 PRO HG2 H 2.0200 0.04 . 415 48 48 PRO HG3 H 2.0200 0.04 . 416 48 48 PRO HD2 H 3.8000 0.04 . 417 48 48 PRO HD3 H 3.7500 0.04 . 418 48 48 PRO CA C 63.8700 0.50 . 419 48 48 PRO CB C 32.9400 0.50 . 420 48 48 PRO CG C 28.2200 0.50 . 421 48 48 PRO CD C 51.3100 0.50 . 422 49 49 GLY H H 8.2200 0.04 . 423 49 49 GLY HA2 H 4.0700 0.04 . 424 49 49 GLY HA3 H 4.0700 0.04 . 425 49 49 GLY CA C 45.0500 0.50 . 426 49 49 GLY N N 109.8000 0.40 . 427 50 50 PRO HA H 4.4500 0.04 . 428 50 50 PRO HB2 H 1.8900 0.04 . 429 50 50 PRO HB3 H 2.2500 0.04 . 430 50 50 PRO HG2 H 2.0000 0.04 . 431 50 50 PRO HG3 H 2.0000 0.04 . 432 50 50 PRO HD2 H 3.5900 0.04 . 433 50 50 PRO HD3 H 3.5900 0.04 . 434 50 50 PRO CA C 63.5000 0.50 . 435 50 50 PRO CB C 32.9400 0.50 . 436 50 50 PRO CG C 28.0200 0.50 . 437 50 50 PRO CD C 50.4000 0.50 . 438 51 51 GLU H H 8.4870 0.04 . 439 51 51 GLU HA H 4.5900 0.04 . 440 51 51 GLU CA C 55.1100 0.50 . 441 51 51 GLU N N 123.3800 0.40 . 442 52 52 PRO HA H 4.4000 0.04 . 443 52 52 PRO CA C 63.8000 0.50 . 444 52 52 PRO CB C 32.9800 0.50 . 445 53 53 GLU H H 8.4600 0.04 . 446 53 53 GLU HA H 4.5500 0.04 . 447 53 53 GLU HB2 H 2.0500 0.04 . 448 53 53 GLU HB3 H 1.8900 0.04 . 449 53 53 GLU HG2 H 2.3000 0.04 . 450 53 53 GLU HG3 H 2.3000 0.04 . 451 53 53 GLU CA C 55.1100 0.50 . 452 53 53 GLU CB C 30.5000 0.50 . 453 53 53 GLU N N 123.4000 0.40 . 454 54 54 PRO HA H 4.3600 0.04 . 455 54 54 PRO HB2 H 2.3100 0.04 . 456 54 54 PRO HB3 H 1.9100 0.04 . 457 54 54 PRO HG2 H 2.0200 0.04 . 458 54 54 PRO HG3 H 2.0500 0.04 . 459 54 54 PRO HD2 H 3.8200 0.04 . 460 54 54 PRO HD3 H 3.6900 0.04 . 461 54 54 PRO CA C 64.0000 0.50 . 462 54 54 PRO CB C 32.7500 0.50 . 463 54 54 PRO CG C 28.0900 0.50 . 464 54 54 PRO CD C 51.2000 0.50 . 465 55 55 ALA H H 8.4040 0.04 . 466 55 55 ALA HA H 4.2700 0.04 . 467 55 55 ALA HB H 1.3800 0.04 . 468 55 55 ALA CA C 53.1900 0.50 . 469 55 55 ALA CB C 20.0800 0.50 . 470 55 55 ALA N N 124.7000 0.40 . 471 56 56 GLN H H 8.3200 0.04 . 472 56 56 GLN HA H 4.3300 0.04 . 473 56 56 GLN HB2 H 2.1000 0.04 . 474 56 56 GLN HB3 H 1.9800 0.04 . 475 56 56 GLN HG2 H 2.3500 0.04 . 476 56 56 GLN HG3 H 2.3500 0.04 . 477 56 56 GLN HE21 H 7.4900 0.04 . 478 56 56 GLN HE22 H 6.8400 0.04 . 479 56 56 GLN CA C 56.2500 0.50 . 480 56 56 GLN CB C 30.3300 0.50 . 481 56 56 GLN CG C 34.6100 0.50 . 482 56 56 GLN N N 119.9000 0.40 . 483 56 56 GLN NE2 N 113.2500 0.40 . 484 57 57 LEU H H 8.2770 0.04 . 485 57 57 LEU HA H 4.3200 0.04 . 486 57 57 LEU HB2 H 1.6200 0.04 . 487 57 57 LEU HB3 H 1.6200 0.04 . 488 57 57 LEU HD2 H 0.8700 0.04 . 489 57 57 LEU CA C 56.2300 0.50 . 490 57 57 LEU CB C 43.0100 0.50 . 491 57 57 LEU CD2 C 24.3600 0.50 . 492 57 57 LEU N N 124.1700 0.40 . 493 58 58 ASN H H 8.4700 0.04 . 494 58 58 ASN HA H 4.7000 0.04 . 495 58 58 ASN HB2 H 2.7900 0.04 . 496 58 58 ASN HB3 H 2.7900 0.04 . 497 58 58 ASN HD21 H 7.6000 0.04 . 498 58 58 ASN HD22 H 6.9500 0.04 . 499 58 58 ASN CA C 53.8000 0.50 . 500 58 58 ASN CB C 39.6200 0.50 . 501 58 58 ASN N N 119.9200 0.40 . 502 58 58 ASN ND2 N 113.5000 0.40 . 503 59 59 GLY H H 8.3600 0.04 . 504 59 59 GLY HA2 H 3.9200 0.04 . 505 59 59 GLY HA3 H 3.9200 0.04 . 506 59 59 GLY CA C 46.0860 0.50 . 507 59 59 GLY N N 110.3000 0.40 . 508 60 60 ALA H H 8.0700 0.04 . 509 60 60 ALA HA H 4.3300 0.04 . 510 60 60 ALA HB H 1.3800 0.04 . 511 60 60 ALA CA C 52.9000 0.50 . 512 60 60 ALA CB C 20.2100 0.50 . 513 60 60 ALA N N 124.4400 0.40 . 514 61 61 ALA H H 8.2040 0.04 . 515 61 61 ALA HA H 4.3000 0.04 . 516 61 61 ALA HB H 1.3600 0.04 . 517 61 61 ALA CA C 52.8800 0.50 . 518 61 61 ALA CB C 20.4500 0.50 . 519 61 61 ALA N N 123.7990 0.40 . 520 62 62 GLU H H 8.3000 0.04 . 521 62 62 GLU HA H 4.5700 0.04 . 522 62 62 GLU HB2 H 2.0500 0.04 . 523 62 62 GLU HB3 H 1.8900 0.04 . 524 62 62 GLU HG2 H 2.2900 0.04 . 525 62 62 GLU HG3 H 2.2900 0.04 . 526 62 62 GLU CA C 54.9300 0.50 . 527 62 62 GLU CB C 30.5700 0.50 . 528 62 62 GLU CG C 36.8300 0.50 . 529 62 62 GLU N N 122.3000 0.40 . 530 63 63 PRO HA H 4.3900 0.04 . 531 63 63 PRO HB2 H 2.3000 0.04 . 532 63 63 PRO HB3 H 1.9500 0.04 . 533 63 63 PRO HD2 H 3.7000 0.04 . 534 63 63 PRO HD3 H 3.8200 0.04 . 535 63 63 PRO CA C 64.5000 0.50 . 536 63 63 PRO CB C 33.0800 0.50 . 537 63 63 PRO CD C 51.2900 0.50 . 538 64 64 GLY H H 8.5300 0.04 . 539 64 64 GLY HA2 H 3.9300 0.04 . 540 64 64 GLY HA3 H 3.9300 0.04 . 541 64 64 GLY CA C 46.1710 0.50 . 542 64 64 GLY N N 110.2882 0.40 . 543 65 65 ALA H H 7.9700 0.04 . 544 65 65 ALA HA H 4.3300 0.04 . 545 65 65 ALA HB H 1.3800 0.04 . 546 65 65 ALA CA C 52.6900 0.50 . 547 65 65 ALA CB C 20.4500 0.50 . 548 65 65 ALA N N 124.4400 0.40 . 549 66 66 ALA H H 8.2700 0.04 . 550 66 66 ALA HA H 4.5800 0.04 . 551 66 66 ALA HB H 1.3500 0.04 . 552 66 66 ALA CA C 50.8300 0.50 . 553 66 66 ALA CB C 19.1400 0.50 . 554 66 66 ALA N N 125.7700 0.40 . 555 67 67 PRO HA H 4.6100 0.04 . 556 67 67 PRO HB2 H 1.8800 0.04 . 557 67 67 PRO HB3 H 2.3000 0.04 . 558 67 67 PRO HG2 H 2.0000 0.04 . 559 67 67 PRO HG3 H 2.0000 0.04 . 560 67 67 PRO HD2 H 3.6200 0.04 . 561 67 67 PRO HD3 H 3.8100 0.04 . 562 67 67 PRO CA C 62.2000 0.50 . 563 67 67 PRO CB C 31.6000 0.50 . 564 67 67 PRO CG C 28.2300 0.50 . 565 67 67 PRO CD C 51.2000 0.50 . 566 68 68 PRO HA H 4.3900 0.04 . 567 68 68 PRO HB2 H 2.3000 0.04 . 568 68 68 PRO HB3 H 2.3000 0.04 . 569 68 68 PRO HG2 H 1.9700 0.04 . 570 68 68 PRO HG3 H 1.9700 0.04 . 571 68 68 PRO HD2 H 3.5600 0.04 . 572 68 68 PRO HD3 H 3.7000 0.04 . 573 68 68 PRO CA C 63.5000 0.50 . 574 68 68 PRO CB C 31.6000 0.50 . 575 68 68 PRO CG C 28.0900 0.50 . 576 68 68 PRO CD C 51.0000 0.50 . 577 69 69 GLN H H 8.3940 0.04 . 578 69 69 GLN HA H 4.3400 0.04 . 579 69 69 GLN HB2 H 2.0500 0.04 . 580 69 69 GLN HB3 H 1.9200 0.04 . 581 69 69 GLN HG2 H 2.3500 0.04 . 582 69 69 GLN HG3 H 2.3500 0.04 . 583 69 69 GLN CA C 56.0500 0.50 . 584 69 69 GLN CB C 30.5100 0.50 . 585 69 69 GLN CG C 34.6000 0.50 . 586 69 69 GLN N N 121.2500 0.40 . 587 70 70 LEU H H 8.3360 0.04 . 588 70 70 LEU HA H 4.6200 0.04 . 589 70 70 LEU HB2 H 1.5900 0.04 . 590 70 70 LEU HB3 H 1.5900 0.04 . 591 70 70 LEU HG H 1.6700 0.04 . 592 70 70 LEU HD1 H 0.9300 0.04 . 593 70 70 LEU HD2 H 0.9100 0.04 . 594 70 70 LEU CA C 53.6300 0.50 . 595 70 70 LEU CB C 42.6300 0.50 . 596 70 70 LEU CG C 27.9000 0.50 . 597 70 70 LEU CD1 C 26.0400 0.50 . 598 70 70 LEU CD2 C 24.3600 0.50 . 599 70 70 LEU N N 126.0300 0.40 . 600 71 71 PRO HA H 4.3800 0.04 . 601 71 71 PRO HB2 H 1.9200 0.04 . 602 71 71 PRO HB3 H 2.3400 0.04 . 603 71 71 PRO HD2 H 3.6600 0.04 . 604 71 71 PRO HD3 H 3.8700 0.04 . 605 71 71 PRO CA C 64.0600 0.50 . 606 71 71 PRO CB C 32.6600 0.50 . 607 71 71 PRO CD C 51.2300 0.50 . 608 72 72 GLU H H 8.6430 0.04 . 609 72 72 GLU HA H 4.1000 0.04 . 610 72 72 GLU HB2 H 2.0100 0.04 . 611 72 72 GLU HB3 H 2.0100 0.04 . 612 72 72 GLU HG2 H 2.3200 0.04 . 613 72 72 GLU HG3 H 2.3200 0.04 . 614 72 72 GLU CA C 58.6600 0.50 . 615 72 72 GLU CB C 30.6000 0.50 . 616 72 72 GLU CG C 37.2300 0.50 . 617 72 72 GLU N N 121.5200 0.40 . 618 73 73 ALA H H 8.2340 0.04 . 619 73 73 ALA HA H 4.2200 0.04 . 620 73 73 ALA HB H 1.4100 0.04 . 621 73 73 ALA CA C 54.0000 0.50 . 622 73 73 ALA CB C 19.8900 0.50 . 623 73 73 ALA N N 123.6400 0.40 . 624 74 74 LEU H H 7.8800 0.04 . 625 74 74 LEU HA H 4.2300 0.04 . 626 74 74 LEU HB2 H 1.6700 0.04 . 627 74 74 LEU HB3 H 1.6000 0.04 . 628 74 74 LEU HG H 1.5700 0.04 . 629 74 74 LEU HD1 H 0.9400 0.04 . 630 74 74 LEU HD2 H 0.8800 0.04 . 631 74 74 LEU CA C 56.4500 0.50 . 632 74 74 LEU CB C 42.9200 0.50 . 633 74 74 LEU N N 120.1900 0.40 . 634 75 75 LEU H H 7.9000 0.04 . 635 75 75 LEU HA H 4.2600 0.04 . 636 75 75 LEU HB2 H 1.6000 0.04 . 637 75 75 LEU HB3 H 1.7000 0.04 . 638 75 75 LEU HD1 H 0.9400 0.04 . 639 75 75 LEU HD2 H 0.8800 0.04 . 640 75 75 LEU CA C 56.4800 0.50 . 641 75 75 LEU CB C 42.8000 0.50 . 642 75 75 LEU CD1 C 24.2000 0.50 . 643 75 75 LEU CD2 C 25.7000 0.50 . 644 75 75 LEU N N 122.3100 0.40 . 645 76 76 LEU H H 7.9480 0.04 . 646 76 76 LEU HA H 4.2600 0.04 . 647 76 76 LEU HB2 H 1.6800 0.04 . 648 76 76 LEU HB3 H 1.5900 0.04 . 649 76 76 LEU HD1 H 0.9200 0.04 . 650 76 76 LEU HD2 H 0.8800 0.04 . 651 76 76 LEU CA C 56.2600 0.50 . 652 76 76 LEU CB C 42.8900 0.50 . 653 76 76 LEU CD1 C 24.2000 0.50 . 654 76 76 LEU CD2 C 25.7000 0.50 . 655 76 76 LEU N N 121.7800 0.40 . 656 77 77 GLN H H 8.0840 0.04 . 657 77 77 GLN HA H 4.2900 0.04 . 658 77 77 GLN HB2 H 2.1400 0.04 . 659 77 77 GLN HB3 H 2.0200 0.04 . 660 77 77 GLN HG2 H 2.3600 0.04 . 661 77 77 GLN HG3 H 2.3600 0.04 . 662 77 77 GLN CA C 56.6100 0.50 . 663 77 77 GLN CB C 29.9200 0.50 . 664 77 77 GLN CG C 34.6300 0.50 . 665 77 77 GLN N N 120.7200 0.40 . 666 78 78 ARG H H 8.1650 0.04 . 667 78 78 ARG HA H 4.2800 0.04 . 668 78 78 ARG HB2 H 1.7800 0.04 . 669 78 78 ARG HB3 H 1.8500 0.04 . 670 78 78 ARG HG2 H 1.6100 0.04 . 671 78 78 ARG HG3 H 1.6100 0.04 . 672 78 78 ARG HD2 H 3.1600 0.04 . 673 78 78 ARG HD3 H 3.1600 0.04 . 674 78 78 ARG CA C 57.0700 0.50 . 675 78 78 ARG CB C 31.6500 0.50 . 676 78 78 ARG CG C 27.9500 0.50 . 677 78 78 ARG CD C 43.9900 0.50 . 678 78 78 ARG N N 121.9940 0.40 . 679 79 79 GLU H H 8.3600 0.04 . 680 79 79 GLU HA H 4.2800 0.04 . 681 79 79 GLU HB2 H 1.9600 0.04 . 682 79 79 GLU HB3 H 2.0400 0.04 . 683 79 79 GLU HG2 H 2.2400 0.04 . 684 79 79 GLU HG3 H 2.2400 0.04 . 685 79 79 GLU CA C 57.1600 0.50 . 686 79 79 GLU CB C 31.0300 0.50 . 687 79 79 GLU CG C 37.0500 0.50 . 688 79 79 GLU N N 122.0500 0.40 . 689 80 80 VAL H H 8.1040 0.04 . 690 80 80 VAL HA H 4.1200 0.04 . 691 80 80 VAL HB H 2.0500 0.04 . 692 80 80 VAL HG1 H 0.9200 0.04 . 693 80 80 VAL HG2 H 0.9200 0.04 . 694 80 80 VAL CA C 62.5700 0.50 . 695 80 80 VAL CB C 33.6400 0.50 . 696 80 80 VAL CG1 C 21.3800 0.50 . 697 80 80 VAL CG2 C 22.1300 0.50 . 698 80 80 VAL N N 121.0080 0.40 . 699 81 81 SER H H 8.3300 0.04 . 700 81 81 SER HA H 4.7400 0.04 . 701 81 81 SER HB2 H 3.9200 0.04 . 702 81 81 SER HB3 H 3.8300 0.04 . 703 81 81 SER CA C 56.6100 0.50 . 704 81 81 SER CB C 64.3900 0.50 . 705 81 81 SER N N 120.9000 0.40 . 706 82 82 PRO HA H 4.3700 0.04 . 707 82 82 PRO HB2 H 1.6000 0.04 . 708 82 82 PRO HB3 H 2.1500 0.04 . 709 82 82 PRO HG2 H 1.7100 0.04 . 710 82 82 PRO HG3 H 1.9200 0.04 . 711 82 82 PRO HD2 H 3.6500 0.04 . 712 82 82 PRO HD3 H 3.7800 0.04 . 713 82 82 PRO CA C 64.2200 0.50 . 714 82 82 PRO CB C 32.6500 0.50 . 715 82 82 PRO CG C 27.8700 0.50 . 716 82 82 PRO CD C 51.5000 0.50 . 717 83 83 TYR H H 7.8800 0.04 . 718 83 83 TYR HA H 4.4600 0.04 . 719 83 83 TYR HB2 H 2.7700 0.04 . 720 83 83 TYR HB3 H 2.9400 0.04 . 721 83 83 TYR HD1 H 6.9500 0.04 . 722 83 83 TYR HE1 H 6.7800 0.04 . 723 83 83 TYR CA C 58.4700 0.50 . 724 83 83 TYR CB C 39.3100 0.50 . 725 83 83 TYR N N 119.3800 0.40 . 726 84 84 PHE H H 7.8400 0.04 . 727 84 84 PHE HA H 4.5500 0.04 . 728 84 84 PHE HB2 H 3.1000 0.04 . 729 84 84 PHE HB3 H 2.9900 0.04 . 730 84 84 PHE HD1 H 7.2200 0.04 . 731 84 84 PHE HE1 H 7.2900 0.04 . 732 84 84 PHE HZ H 7.0400 0.04 . 733 84 84 PHE CA C 58.2800 0.50 . 734 84 84 PHE CB C 40.4000 0.50 . 735 84 84 PHE N N 121.7800 0.40 . 736 85 85 LYS H H 8.0590 0.04 . 737 85 85 LYS HA H 4.2100 0.04 . 738 85 85 LYS HB2 H 1.6800 0.04 . 739 85 85 LYS HB3 H 1.7500 0.04 . 740 85 85 LYS HG2 H 1.3200 0.04 . 741 85 85 LYS HG3 H 1.3200 0.04 . 742 85 85 LYS HD2 H 1.6500 0.04 . 743 85 85 LYS HD3 H 1.6500 0.04 . 744 85 85 LYS HE2 H 2.9600 0.04 . 745 85 85 LYS HE3 H 2.9600 0.04 . 746 85 85 LYS CA C 56.9800 0.50 . 747 85 85 LYS CB C 33.9100 0.50 . 748 85 85 LYS CG C 25.5300 0.50 . 749 85 85 LYS CE C 42.4400 0.50 . 750 85 85 LYS N N 123.6400 0.40 . 751 88 88 ALA H H 8.3360 0.04 . 752 88 88 ALA HA H 4.3600 0.04 . 753 88 88 ALA HB H 1.4000 0.04 . 754 88 88 ALA CA C 53.2500 0.50 . 755 88 88 ALA CB C 20.0800 0.50 . 756 88 88 ALA N N 126.3970 0.40 . 757 89 89 GLY H H 8.2800 0.04 . 758 89 89 GLY HA2 H 3.9200 0.04 . 759 89 89 GLY HA3 H 3.9200 0.04 . 760 89 89 GLY CA C 46.2560 0.50 . 761 89 89 GLY N N 108.5000 0.40 . 762 90 90 GLY H H 8.1870 0.04 . 763 90 90 GLY HA2 H 3.9900 0.04 . 764 90 90 GLY HA3 H 3.9900 0.04 . 765 90 90 GLY CA C 46.1580 0.50 . 766 90 90 GLY N N 109.5600 0.40 . 767 91 91 THR H H 8.0890 0.04 . 768 91 91 THR HA H 4.4100 0.04 . 769 91 91 THR HB H 4.2400 0.04 . 770 91 91 THR HG2 H 1.1800 0.04 . 771 91 91 THR CA C 62.2000 0.50 . 772 91 91 THR CB C 70.2500 0.50 . 773 91 91 THR CG2 C 22.3100 0.50 . 774 91 91 THR N N 114.0800 0.40 . 775 92 92 SER H H 8.3570 0.04 . 776 92 92 SER HA H 4.4900 0.04 . 777 92 92 SER HB2 H 3.8200 0.04 . 778 92 92 SER HB3 H 3.8200 0.04 . 779 92 92 SER CA C 58.8400 0.50 . 780 92 92 SER CB C 64.3700 0.50 . 781 92 92 SER N N 119.0040 0.40 . 782 93 93 VAL H H 8.1120 0.04 . 783 93 93 VAL HA H 4.1300 0.04 . 784 93 93 VAL HB H 2.0100 0.04 . 785 93 93 VAL HG1 H 0.8600 0.04 . 786 93 93 VAL HG2 H 0.8600 0.04 . 787 93 93 VAL CA C 62.6900 0.50 . 788 93 93 VAL CB C 33.4700 0.50 . 789 93 93 VAL CG1 C 21.1900 0.50 . 790 93 93 VAL CG2 C 22.1300 0.50 . 791 93 93 VAL N N 122.0500 0.40 . 792 94 94 GLY H H 8.3600 0.04 . 793 94 94 GLY HA2 H 3.8800 0.04 . 794 94 94 GLY HA3 H 3.8800 0.04 . 795 94 94 GLY CA C 45.8750 0.50 . 796 94 94 GLY N N 112.7800 0.40 . 797 95 95 TRP H H 7.9700 0.04 . 798 95 95 TRP HA H 4.6700 0.04 . 799 95 95 TRP HB2 H 3.2100 0.04 . 800 95 95 TRP HB3 H 3.3200 0.04 . 801 95 95 TRP HD1 H 7.1700 0.04 . 802 95 95 TRP HE1 H 10.0600 0.04 . 803 95 95 TRP HE3 H 7.5500 0.04 . 804 95 95 TRP HZ2 H 7.4300 0.04 . 805 95 95 TRP HZ3 H 7.0700 0.04 . 806 95 95 TRP HH2 H 7.1500 0.04 . 807 95 95 TRP CA C 57.7200 0.50 . 808 95 95 TRP CB C 30.4600 0.50 . 809 95 95 TRP N N 121.5410 0.40 . 810 95 95 TRP NE1 N 130.3000 0.40 . 811 96 96 ASP H H 8.2700 0.04 . 812 96 96 ASP HA H 4.5500 0.04 . 813 96 96 ASP HB2 H 2.4700 0.04 . 814 96 96 ASP HB3 H 2.4000 0.04 . 815 96 96 ASP CA C 54.5600 0.50 . 816 96 96 ASP CB C 41.6800 0.50 . 817 96 96 ASP N N 122.0000 0.40 . 818 97 97 SER H H 7.9400 0.04 . 819 97 97 SER HA H 4.6500 0.04 . 820 97 97 SER HB2 H 3.8200 0.04 . 821 97 97 SER HB3 H 3.7100 0.04 . 822 97 97 SER CA C 56.9800 0.50 . 823 97 97 SER CB C 63.8700 0.50 . 824 97 97 SER N N 117.4270 0.40 . 825 98 98 PRO HA H 4.6900 0.04 . 826 98 98 PRO HB2 H 1.9100 0.04 . 827 98 98 PRO HB3 H 2.3500 0.04 . 828 98 98 PRO HG2 H 2.0300 0.04 . 829 98 98 PRO HG3 H 2.0300 0.04 . 830 98 98 PRO HD2 H 3.6500 0.04 . 831 98 98 PRO HD3 H 3.7900 0.04 . 832 98 98 PRO CA C 62.0100 0.50 . 833 98 98 PRO CB C 31.6200 0.50 . 834 98 98 PRO CG C 28.2400 0.50 . 835 98 98 PRO CD C 51.3900 0.50 . 836 99 99 PRO HA H 4.4000 0.04 . 837 99 99 PRO HB2 H 2.2400 0.04 . 838 99 99 PRO HB3 H 1.9000 0.04 . 839 99 99 PRO HD2 H 3.8100 0.04 . 840 99 99 PRO HD3 H 3.6500 0.04 . 841 99 99 PRO CA C 63.5000 0.50 . 842 99 99 PRO CB C 32.9400 0.50 . 843 99 99 PRO CG C 28.1000 0.50 . 844 99 99 PRO CD C 51.2000 0.50 . 845 100 100 ALA H H 8.5200 0.04 . 846 100 100 ALA HA H 4.3000 0.04 . 847 100 100 ALA HB H 1.3800 0.04 . 848 100 100 ALA CA C 53.0000 0.50 . 849 100 100 ALA CB C 20.0800 0.50 . 850 100 100 ALA N N 125.5000 0.40 . 851 101 101 SER H H 8.2300 0.04 . 852 101 101 SER HA H 4.7500 0.04 . 853 101 101 SER HB2 H 3.8400 0.04 . 854 101 101 SER HB3 H 3.8400 0.04 . 855 101 101 SER CA C 56.6100 0.50 . 856 101 101 SER CB C 64.2000 0.50 . 857 101 101 SER N N 116.8000 0.40 . 858 102 102 PRO HA H 4.4300 0.04 . 859 102 102 PRO HD2 H 3.8300 0.04 . 860 102 102 PRO HD3 H 3.7400 0.04 . 861 102 102 PRO CA C 64.1400 0.50 . 862 102 102 PRO CB C 32.8200 0.50 . 863 102 102 PRO CD C 51.4500 0.50 . 864 103 103 LEU H H 8.1600 0.04 . 865 103 103 LEU HA H 4.3000 0.04 . 866 103 103 LEU HB2 H 1.6700 0.04 . 867 103 103 LEU HB3 H 1.6200 0.04 . 868 103 103 LEU HG H 1.6300 0.04 . 869 103 103 LEU HD1 H 0.9400 0.04 . 870 103 103 LEU HD2 H 0.8800 0.04 . 871 103 103 LEU CA C 56.2500 0.50 . 872 103 103 LEU CB C 42.8100 0.50 . 873 103 103 LEU CG C 27.7200 0.50 . 874 103 103 LEU CD1 C 25.2900 0.50 . 875 103 103 LEU CD2 C 24.0000 0.50 . 876 103 103 LEU N N 121.6910 0.40 . 877 104 104 GLN H H 8.1200 0.04 . 878 104 104 GLN CA C 56.2100 0.50 . 879 104 104 GLN CB C 30.2800 0.50 . 880 104 104 GLN N N 121.4050 0.40 . 881 106 106 GLN H H 8.4360 0.04 . 882 106 106 GLN HA H 3.8600 0.04 . 883 106 106 GLN HB2 H 2.0000 0.04 . 884 106 106 GLN HB3 H 1.9000 0.04 . 885 106 106 GLN HG2 H 2.2700 0.04 . 886 106 106 GLN HG3 H 2.2700 0.04 . 887 106 106 GLN C C 176.0000 0.50 . 888 106 106 GLN CA C 60.1500 0.50 . 889 106 106 GLN CB C 30.3500 0.50 . 890 106 106 GLN CG C 37.2200 0.50 . 891 106 106 GLN N N 123.3970 0.40 . 892 107 107 PRO HB2 H 2.3000 0.04 . 893 107 107 PRO HB3 H 1.9300 0.04 . 894 107 107 PRO CA C 63.8600 0.50 . 895 107 107 PRO CB C 33.0600 0.50 . 896 108 108 SER H H 8.4000 0.04 . 897 108 108 SER HA H 4.4500 0.04 . 898 108 108 SER HB2 H 3.8200 0.04 . 899 108 108 SER HB3 H 3.8900 0.04 . 900 108 108 SER CA C 58.9200 0.50 . 901 108 108 SER CB C 64.4300 0.50 . 902 108 108 SER N N 116.6770 0.40 . 903 109 109 SER H H 8.2900 0.04 . 904 109 109 SER HA H 4.7900 0.04 . 905 109 109 SER HB2 H 3.8600 0.04 . 906 109 109 SER HB3 H 3.8600 0.04 . 907 109 109 SER CA C 56.9800 0.50 . 908 109 109 SER CB C 64.2590 0.50 . 909 109 109 SER N N 119.3300 0.40 . 910 110 110 PRO HA H 4.4500 0.04 . 911 110 110 PRO HB2 H 2.3000 0.04 . 912 110 110 PRO HB3 H 2.0000 0.04 . 913 110 110 PRO CA C 63.9400 0.50 . 914 110 110 PRO CB C 32.9900 0.50 . 915 111 111 GLY H H 8.3300 0.04 . 916 111 111 GLY HA2 H 4.2000 0.04 . 917 111 111 GLY HA3 H 3.9800 0.04 . 918 111 111 GLY CA C 45.0800 0.50 . 919 111 111 GLY N N 110.0000 0.40 . 920 112 112 PRO HA H 4.4500 0.04 . 921 112 112 PRO HB2 H 2.2500 0.04 . 922 112 112 PRO HB3 H 1.9400 0.04 . 923 112 112 PRO HG2 H 2.0000 0.04 . 924 112 112 PRO HG3 H 2.0000 0.04 . 925 112 112 PRO HD2 H 3.6200 0.04 . 926 112 112 PRO HD3 H 3.6200 0.04 . 927 112 112 PRO CA C 63.5400 0.50 . 928 112 112 PRO CB C 32.9000 0.50 . 929 112 112 PRO CG C 27.9000 0.50 . 930 112 112 PRO CD C 50.3400 0.50 . 931 113 113 GLN H H 8.4900 0.04 . 932 113 113 GLN HA H 4.6100 0.04 . 933 113 113 GLN HB2 H 2.1100 0.04 . 934 113 113 GLN HB3 H 1.9300 0.04 . 935 113 113 GLN HG2 H 2.4100 0.04 . 936 113 113 GLN HG3 H 2.4100 0.04 . 937 113 113 GLN HE21 H 7.4900 0.04 . 938 113 113 GLN HE22 H 6.8500 0.04 . 939 113 113 GLN CA C 54.1800 0.50 . 940 113 113 GLN CB C 29.8500 0.50 . 941 113 113 GLN CG C 34.2400 0.50 . 942 113 113 GLN N N 122.7800 0.40 . 943 113 113 GLN NE2 N 113.5000 0.40 . 944 114 114 PRO HA H 4.4000 0.04 . 945 114 114 PRO HB2 H 2.2300 0.04 . 946 114 114 PRO HB3 H 2.2300 0.04 . 947 114 114 PRO HG2 H 2.0100 0.04 . 948 114 114 PRO HG3 H 2.0100 0.04 . 949 114 114 PRO HD2 H 3.7900 0.04 . 950 114 114 PRO HD3 H 3.6700 0.04 . 951 114 114 PRO CA C 63.7700 0.50 . 952 114 114 PRO CB C 33.0800 0.50 . 953 114 114 PRO CG C 28.3700 0.50 . 954 114 114 PRO CD C 51.2600 0.50 . 955 115 115 ARG H H 8.4300 0.04 . 956 115 115 ARG HA H 4.3000 0.04 . 957 115 115 ARG HB2 H 1.8500 0.04 . 958 115 115 ARG HB3 H 1.6800 0.04 . 959 115 115 ARG HG2 H 1.6500 0.04 . 960 115 115 ARG HG3 H 1.6500 0.04 . 961 115 115 ARG HD2 H 3.1800 0.04 . 962 115 115 ARG HD3 H 3.1800 0.04 . 963 115 115 ARG CA C 56.8490 0.50 . 964 115 115 ARG CB C 32.3230 0.50 . 965 115 115 ARG N N 121.9410 0.40 . 966 116 116 ASN H H 8.2800 0.04 . 967 116 116 ASN HA H 4.6800 0.04 . 968 116 116 ASN HB2 H 2.7000 0.04 . 969 116 116 ASN HB3 H 2.7000 0.04 . 970 116 116 ASN HD21 H 7.4900 0.04 . 971 116 116 ASN HD22 H 6.8900 0.04 . 972 116 116 ASN CA C 53.8100 0.50 . 973 116 116 ASN CB C 39.8300 0.50 . 974 116 116 ASN N N 120.1900 0.40 . 975 116 116 ASN ND2 N 112.8000 0.40 . 976 117 117 LEU H H 9.0080 0.04 . 977 117 117 LEU HA H 4.4100 0.04 . 978 117 117 LEU HB2 H 1.6800 0.04 . 979 117 117 LEU HB3 H 1.4700 0.04 . 980 117 117 LEU HG H 1.6100 0.04 . 981 117 117 LEU HD1 H 0.9300 0.04 . 982 117 117 LEU HD2 H 0.7700 0.04 . 983 117 117 LEU CA C 56.0000 0.50 . 984 117 117 LEU CB C 43.0700 0.50 . 985 117 117 LEU CG C 28.0000 0.50 . 986 117 117 LEU CD1 C 25.7700 0.50 . 987 117 117 LEU CD2 C 25.6100 0.50 . 988 117 117 LEU N N 124.2650 0.40 . 989 118 118 SER H H 8.7300 0.04 . 990 118 118 SER HA H 4.5100 0.04 . 991 118 118 SER HB2 H 3.9500 0.04 . 992 118 118 SER HB3 H 3.8100 0.04 . 993 118 118 SER CA C 59.2100 0.50 . 994 118 118 SER CB C 64.6200 0.50 . 995 118 118 SER N N 119.2000 0.40 . 996 119 119 GLU H H 7.8560 0.04 . 997 119 119 GLU HA H 4.4800 0.04 . 998 119 119 GLU HB2 H 2.1600 0.04 . 999 119 119 GLU HB3 H 1.9600 0.04 . 1000 119 119 GLU HG2 H 2.2200 0.04 . 1001 119 119 GLU HG3 H 2.2200 0.04 . 1002 119 119 GLU CA C 55.6700 0.50 . 1003 119 119 GLU CB C 32.3800 0.50 . 1004 119 119 GLU CG C 36.5000 0.50 . 1005 119 119 GLU N N 121.0780 0.40 . 1006 120 120 ALA H H 8.3200 0.04 . 1007 120 120 ALA HA H 4.5700 0.04 . 1008 120 120 ALA HB H 1.2500 0.04 . 1009 120 120 ALA CA C 53.0600 0.50 . 1010 120 120 ALA CB C 20.2600 0.50 . 1011 120 120 ALA N N 122.8970 0.40 . 1012 121 121 LYS H H 8.7900 0.04 . 1013 121 121 LYS HA H 4.5500 0.04 . 1014 121 121 LYS HB2 H 1.7200 0.04 . 1015 121 121 LYS HB3 H 1.7200 0.04 . 1016 121 121 LYS HG2 H 1.4400 0.04 . 1017 121 121 LYS HG3 H 1.2700 0.04 . 1018 121 121 LYS HD2 H 1.5800 0.04 . 1019 121 121 LYS HD3 H 1.5800 0.04 . 1020 121 121 LYS HE2 H 2.8900 0.04 . 1021 121 121 LYS HE3 H 2.9300 0.04 . 1022 121 121 LYS CA C 55.3000 0.50 . 1023 121 121 LYS CG C 25.4800 0.50 . 1024 121 121 LYS CD C 29.8400 0.50 . 1025 121 121 LYS CE C 42.2500 0.50 . 1026 121 121 LYS N N 122.9000 0.40 . 1027 122 122 HIS H H 8.8190 0.04 . 1028 122 122 HIS HA H 5.1500 0.04 . 1029 122 122 HIS HB2 H 3.0000 0.04 . 1030 122 122 HIS HB3 H 3.0000 0.04 . 1031 122 122 HIS HD2 H 7.1700 0.04 . 1032 122 122 HIS HE1 H 8.3000 0.04 . 1033 122 122 HIS CA C 55.4900 0.50 . 1034 122 122 HIS CB C 31.7400 0.50 . 1035 122 122 HIS N N 125.5000 0.40 . 1036 123 123 VAL H H 9.1300 0.04 . 1037 123 123 VAL HA H 4.2300 0.04 . 1038 123 123 VAL HB H 1.9900 0.04 . 1039 123 123 VAL HG1 H 0.7600 0.04 . 1040 123 123 VAL CA C 61.6400 0.50 . 1041 123 123 VAL CB C 34.9900 0.50 . 1042 123 123 VAL CG1 C 21.3800 0.50 . 1043 123 123 VAL N N 126.4330 0.40 . 1044 124 124 SER H H 8.9100 0.04 . 1045 124 124 SER HA H 4.5000 0.04 . 1046 124 124 SER HB2 H 3.9200 0.04 . 1047 124 124 SER HB3 H 4.0300 0.04 . 1048 124 124 SER CA C 59.0800 0.50 . 1049 124 124 SER CB C 63.6900 0.50 . 1050 124 124 SER N N 122.5200 0.40 . 1051 125 125 LEU H H 8.0150 0.04 . 1052 125 125 LEU HA H 4.3600 0.04 . 1053 125 125 LEU HB2 H 1.4200 0.04 . 1054 125 125 LEU HB3 H 1.6100 0.04 . 1055 125 125 LEU HG H 1.5300 0.04 . 1056 125 125 LEU HD1 H 0.5700 0.04 . 1057 125 125 LEU HD2 H 0.7800 0.04 . 1058 125 125 LEU CA C 55.3000 0.50 . 1059 125 125 LEU CB C 42.0700 0.50 . 1060 125 125 LEU CG C 27.7400 0.50 . 1061 125 125 LEU CD1 C 22.8800 0.50 . 1062 125 125 LEU CD2 C 27.8900 0.50 . 1063 125 125 LEU N N 120.7200 0.40 . 1064 126 126 LYS H H 7.9980 0.04 . 1065 126 126 LYS HA H 4.2000 0.04 . 1066 126 126 LYS HB2 H 1.8100 0.04 . 1067 126 126 LYS HB3 H 1.8100 0.04 . 1068 126 126 LYS HG2 H 1.5400 0.04 . 1069 126 126 LYS HG3 H 1.4300 0.04 . 1070 126 126 LYS HD2 H 1.7500 0.04 . 1071 126 126 LYS HD3 H 1.7500 0.04 . 1072 126 126 LYS HE2 H 3.0300 0.04 . 1073 126 126 LYS HE3 H 3.0300 0.04 . 1074 126 126 LYS CA C 58.6600 0.50 . 1075 126 126 LYS CB C 32.4900 0.50 . 1076 126 126 LYS CG C 25.7500 0.50 . 1077 126 126 LYS CD C 29.7400 0.50 . 1078 126 126 LYS CE C 42.6100 0.50 . 1079 126 126 LYS N N 122.4490 0.40 . 1080 127 127 MET H H 7.6000 0.04 . 1081 127 127 MET HA H 4.2500 0.04 . 1082 127 127 MET HB2 H 2.3500 0.04 . 1083 127 127 MET HB3 H 2.1200 0.04 . 1084 127 127 MET HG2 H 2.5800 0.04 . 1085 127 127 MET HG3 H 2.5200 0.04 . 1086 127 127 MET HE H 2.1100 0.04 . 1087 127 127 MET CA C 55.1900 0.50 . 1088 127 127 MET CB C 31.3500 0.50 . 1089 127 127 MET CG C 33.5000 0.50 . 1090 127 127 MET CE C 17.8000 0.50 . 1091 127 127 MET N N 117.5000 0.40 . 1092 128 128 ALA H H 8.4990 0.04 . 1093 128 128 ALA HA H 4.5900 0.04 . 1094 128 128 ALA HB H 1.3500 0.04 . 1095 128 128 ALA CA C 52.3200 0.50 . 1096 128 128 ALA CB C 21.7500 0.50 . 1097 128 128 ALA N N 124.1860 0.40 . 1098 129 129 TYR H H 8.3700 0.04 . 1099 129 129 TYR HA H 4.8400 0.04 . 1100 129 129 TYR HB2 H 2.9700 0.04 . 1101 129 129 TYR HB3 H 2.9700 0.04 . 1102 129 129 TYR HD1 H 7.0500 0.04 . 1103 129 129 TYR HE1 H 6.7800 0.04 . 1104 129 129 TYR CA C 57.5400 0.50 . 1105 129 129 TYR CB C 41.8800 0.50 . 1106 129 129 TYR N N 117.4270 0.40 . 1107 130 130 VAL H H 8.4000 0.04 . 1108 130 130 VAL HA H 5.2400 0.04 . 1109 130 130 VAL HB H 1.8700 0.04 . 1110 130 130 VAL HG1 H 0.9200 0.04 . 1111 130 130 VAL HG2 H 0.8800 0.04 . 1112 130 130 VAL CA C 59.7700 0.50 . 1113 130 130 VAL CB C 35.7300 0.50 . 1114 130 130 VAL CG1 C 20.6400 0.50 . 1115 130 130 VAL CG2 C 23.0600 0.50 . 1116 130 130 VAL N N 122.8400 0.40 . 1117 131 131 SER H H 8.7200 0.04 . 1118 131 131 SER HA H 4.7500 0.04 . 1119 131 131 SER HB2 H 3.7600 0.04 . 1120 131 131 SER HB3 H 3.7600 0.04 . 1121 131 131 SER CA C 57.1600 0.50 . 1122 131 131 SER CB C 66.1100 0.50 . 1123 131 131 SER N N 121.7500 0.40 . 1124 132 132 ARG H H 8.6100 0.04 . 1125 132 132 ARG HA H 5.7100 0.04 . 1126 132 132 ARG HB2 H 1.9800 0.04 . 1127 132 132 ARG HB3 H 1.2100 0.04 . 1128 132 132 ARG HG2 H 1.5300 0.04 . 1129 132 132 ARG HG3 H 1.5300 0.04 . 1130 132 132 ARG HD2 H 3.5000 0.04 . 1131 132 132 ARG HD3 H 2.6700 0.04 . 1132 132 132 ARG CA C 55.1600 0.50 . 1133 132 132 ARG CB C 33.6800 0.50 . 1134 132 132 ARG CG C 28.0900 0.50 . 1135 132 132 ARG CD C 44.1900 0.50 . 1136 132 132 ARG N N 127.3970 0.40 . 1137 133 133 ARG H H 9.0400 0.04 . 1138 133 133 ARG HA H 4.9800 0.04 . 1139 133 133 ARG HB2 H 2.2200 0.04 . 1140 133 133 ARG HB3 H 1.9100 0.04 . 1141 133 133 ARG HG2 H 1.5300 0.04 . 1142 133 133 ARG HG3 H 1.5300 0.04 . 1143 133 133 ARG HD2 H 3.2900 0.04 . 1144 133 133 ARG HD3 H 3.2000 0.04 . 1145 133 133 ARG CA C 55.3000 0.50 . 1146 133 133 ARG CB C 34.6100 0.50 . 1147 133 133 ARG CG C 26.4100 0.50 . 1148 133 133 ARG CD C 44.5000 0.50 . 1149 133 133 ARG N N 124.6500 0.40 . 1150 134 134 CYS H H 8.0500 0.04 . 1151 134 134 CYS HA H 5.4600 0.04 . 1152 134 134 CYS HB2 H 2.2900 0.04 . 1153 134 134 CYS HB3 H 4.2300 0.04 . 1154 134 134 CYS CA C 56.9800 0.50 . 1155 134 134 CYS CB C 30.1100 0.50 . 1156 134 134 CYS N N 116.9100 0.40 . 1157 135 135 THR H H 8.2600 0.04 . 1158 135 135 THR HA H 4.8800 0.04 . 1159 135 135 THR HB H 4.6200 0.04 . 1160 135 135 THR HG2 H 0.4200 0.04 . 1161 135 135 THR CA C 60.1500 0.50 . 1162 135 135 THR CB C 69.2800 0.50 . 1163 135 135 THR CG2 C 20.2600 0.50 . 1164 135 135 THR N N 110.8700 0.40 . 1165 136 136 PRO HA H 4.3200 0.04 . 1166 136 136 PRO HB2 H 2.4600 0.04 . 1167 136 136 PRO HB3 H 1.8500 0.04 . 1168 136 136 PRO HG2 H 1.8400 0.04 . 1169 136 136 PRO HG3 H 1.8400 0.04 . 1170 136 136 PRO HD2 H 3.7800 0.04 . 1171 136 136 PRO HD3 H 3.7800 0.04 . 1172 136 136 PRO CA C 65.5500 0.50 . 1173 136 136 PRO CB C 33.2800 0.50 . 1174 136 136 PRO CG C 28.0500 0.50 . 1175 136 136 PRO CD C 51.9100 0.50 . 1176 137 137 THR H H 7.3300 0.04 . 1177 137 137 THR HA H 4.4700 0.04 . 1178 137 137 THR HB H 4.4500 0.04 . 1179 137 137 THR HG2 H 1.1600 0.04 . 1180 137 137 THR CA C 61.2600 0.50 . 1181 137 137 THR CB C 69.8500 0.50 . 1182 137 137 THR CG2 C 22.7600 0.50 . 1183 137 137 THR N N 102.6500 0.40 . 1184 138 138 ASP H H 7.4800 0.04 . 1185 138 138 ASP HA H 5.1900 0.04 . 1186 138 138 ASP HB2 H 3.3800 0.04 . 1187 138 138 ASP HB3 H 2.5500 0.04 . 1188 138 138 ASP CA C 51.0100 0.50 . 1189 138 138 ASP CB C 42.8100 0.50 . 1190 138 138 ASP N N 123.8970 0.40 . 1191 139 139 PRO HA H 4.6400 0.04 . 1192 139 139 PRO HB2 H 2.3300 0.04 . 1193 139 139 PRO HB3 H 2.1200 0.04 . 1194 139 139 PRO HG2 H 2.0300 0.04 . 1195 139 139 PRO HG3 H 2.0300 0.04 . 1196 139 139 PRO HD2 H 4.1300 0.04 . 1197 139 139 PRO HD3 H 3.6600 0.04 . 1198 139 139 PRO CA C 63.7500 0.50 . 1199 139 139 PRO CB C 33.0800 0.50 . 1200 139 139 PRO CG C 27.1600 0.50 . 1201 139 139 PRO CD C 51.2100 0.50 . 1202 140 140 GLU H H 7.9200 0.04 . 1203 140 140 GLU HA H 4.5700 0.04 . 1204 140 140 GLU HB2 H 2.0600 0.04 . 1205 140 140 GLU HB3 H 2.0600 0.04 . 1206 140 140 GLU HG2 H 2.4400 0.04 . 1207 140 140 GLU HG3 H 1.9000 0.04 . 1208 140 140 GLU CA C 54.7400 0.50 . 1209 140 140 GLU CB C 32.0000 0.50 . 1210 140 140 GLU CG C 37.0400 0.50 . 1211 140 140 GLU N N 124.9000 0.40 . 1212 141 141 PRO HA H 4.9100 0.04 . 1213 141 141 PRO HD2 H 4.1300 0.04 . 1214 141 141 PRO HD3 H 3.6600 0.04 . 1215 141 141 PRO CA C 62.1500 0.50 . 1216 141 141 PRO CD C 51.2200 0.50 . 1217 142 142 ARG HA H 4.5000 0.04 . 1218 142 142 ARG CA C 53.8400 0.50 . 1219 143 143 TYR H H 8.1600 0.04 . 1220 143 143 TYR HA H 5.0400 0.04 . 1221 143 143 TYR HB2 H 2.9300 0.04 . 1222 143 143 TYR HB3 H 2.4200 0.04 . 1223 143 143 TYR HD1 H 7.2100 0.04 . 1224 143 143 TYR HE1 H 6.8300 0.04 . 1225 143 143 TYR CA C 57.1600 0.50 . 1226 143 143 TYR CB C 39.6800 0.50 . 1227 143 143 TYR N N 121.2500 0.40 . 1228 144 144 LEU H H 9.0000 0.04 . 1229 144 144 LEU HA H 5.2400 0.04 . 1230 144 144 LEU HB2 H 1.0600 0.04 . 1231 144 144 LEU HB3 H 1.5100 0.04 . 1232 144 144 LEU HG H 1.4000 0.04 . 1233 144 144 LEU HD1 H 0.6600 0.04 . 1234 144 144 LEU HD2 H 0.8200 0.04 . 1235 144 144 LEU CA C 53.4400 0.50 . 1236 144 144 LEU CB C 46.7300 0.50 . 1237 144 144 LEU CG C 27.9000 0.50 . 1238 144 144 LEU CD1 C 25.6700 0.50 . 1239 144 144 LEU CD2 C 26.6000 0.50 . 1240 144 144 LEU N N 120.6950 0.40 . 1241 145 145 GLU H H 9.0400 0.04 . 1242 145 145 GLU HA H 5.2400 0.04 . 1243 145 145 GLU HB2 H 2.2500 0.04 . 1244 145 145 GLU HB3 H 1.8600 0.04 . 1245 145 145 GLU HG2 H 2.2200 0.04 . 1246 145 145 GLU HG3 H 2.2200 0.04 . 1247 145 145 GLU CA C 55.3000 0.50 . 1248 145 145 GLU CB C 33.5300 0.50 . 1249 145 145 GLU N N 124.7000 0.40 . 1250 146 146 ILE H H 8.8270 0.04 . 1251 146 146 ILE HA H 5.0800 0.04 . 1252 146 146 ILE HB H 1.7000 0.04 . 1253 146 146 ILE HG12 H 1.4600 0.04 . 1254 146 146 ILE HG13 H 0.9700 0.04 . 1255 146 146 ILE HG2 H 0.7000 0.04 . 1256 146 146 ILE HD1 H 0.6500 0.04 . 1257 146 146 ILE CA C 60.7200 0.50 . 1258 146 146 ILE CB C 40.9600 0.50 . 1259 146 146 ILE CG1 C 29.2100 0.50 . 1260 146 146 ILE CG2 C 18.7700 0.50 . 1261 146 146 ILE CD1 C 16.5400 0.50 . 1262 146 146 ILE N N 127.6300 0.40 . 1263 147 147 CYS H H 8.8900 0.04 . 1264 147 147 CYS HA H 4.9000 0.04 . 1265 147 147 CYS HB2 H 2.8600 0.04 . 1266 147 147 CYS HB3 H 2.5900 0.04 . 1267 147 147 CYS CA C 57.5400 0.50 . 1268 147 147 CYS CB C 30.7000 0.50 . 1269 147 147 CYS N N 126.0300 0.40 . 1270 148 148 ALA H H 8.6400 0.04 . 1271 148 148 ALA HA H 4.4900 0.04 . 1272 148 148 ALA HB H 1.6400 0.04 . 1273 148 148 ALA CA C 52.5000 0.50 . 1274 148 148 ALA CB C 21.9400 0.50 . 1275 148 148 ALA N N 127.3300 0.40 . 1276 149 149 ALA H H 8.7430 0.04 . 1277 149 149 ALA HA H 4.2400 0.04 . 1278 149 149 ALA HB H 1.4800 0.04 . 1279 149 149 ALA CA C 54.5600 0.50 . 1280 149 149 ALA CB C 19.8900 0.50 . 1281 149 149 ALA N N 123.3970 0.40 . 1282 150 150 ASP H H 8.1300 0.04 . 1283 150 150 ASP HA H 4.5200 0.04 . 1284 150 150 ASP HB2 H 2.9700 0.04 . 1285 150 150 ASP HB3 H 2.7300 0.04 . 1286 150 150 ASP CA C 54.5610 0.50 . 1287 150 150 ASP CB C 41.1950 0.50 . 1288 150 150 ASP N N 115.8300 0.40 . 1289 151 151 GLY H H 8.2900 0.04 . 1290 151 151 GLY HA2 H 4.1300 0.04 . 1291 151 151 GLY HA3 H 3.8400 0.04 . 1292 151 151 GLY CA C 46.5470 0.50 . 1293 151 151 GLY N N 108.6400 0.40 . 1294 152 152 GLN H H 8.0600 0.04 . 1295 152 152 GLN HA H 4.3300 0.04 . 1296 152 152 GLN HB2 H 2.2000 0.04 . 1297 152 152 GLN HB3 H 2.0200 0.04 . 1298 152 152 GLN HG2 H 2.2800 0.04 . 1299 152 152 GLN HG3 H 2.3700 0.04 . 1300 152 152 GLN HE21 H 7.7300 0.04 . 1301 152 152 GLN HE22 H 6.9100 0.04 . 1302 152 152 GLN CA C 56.7900 0.50 . 1303 152 152 GLN CB C 30.8900 0.50 . 1304 152 152 GLN CG C 34.9900 0.50 . 1305 152 152 GLN N N 119.4000 0.40 . 1306 152 152 GLN NE2 N 114.0000 0.40 . 1307 153 153 ASP H H 8.2300 0.04 . 1308 153 153 ASP HA H 4.6300 0.04 . 1309 153 153 ASP HB2 H 2.7100 0.04 . 1310 153 153 ASP HB3 H 2.6500 0.04 . 1311 153 153 ASP CA C 55.1100 0.50 . 1312 153 153 ASP CB C 42.4400 0.50 . 1313 153 153 ASP N N 119.9200 0.40 . 1314 154 154 ALA H H 8.2680 0.04 . 1315 154 154 ALA HA H 4.9100 0.04 . 1316 154 154 ALA HB H 1.4000 0.04 . 1317 154 154 ALA CA C 52.6900 0.50 . 1318 154 154 ALA CB C 22.1300 0.50 . 1319 154 154 ALA N N 124.4400 0.40 . 1320 155 155 VAL H H 8.7600 0.04 . 1321 155 155 VAL HA H 4.4000 0.04 . 1322 155 155 VAL HB H 1.9700 0.04 . 1323 155 155 VAL HG1 H 0.8400 0.04 . 1324 155 155 VAL HG2 H 0.8500 0.04 . 1325 155 155 VAL CA C 61.2600 0.50 . 1326 155 155 VAL CB C 35.7300 0.50 . 1327 155 155 VAL CG1 C 22.8700 0.50 . 1328 155 155 VAL N N 117.5300 0.40 . 1329 156 156 PHE H H 8.6800 0.04 . 1330 156 156 PHE HA H 5.6200 0.04 . 1331 156 156 PHE HB2 H 3.2500 0.04 . 1332 156 156 PHE HB3 H 2.8400 0.04 . 1333 156 156 PHE HD1 H 7.2600 0.04 . 1334 156 156 PHE HE1 H 7.0500 0.04 . 1335 156 156 PHE HZ H 6.9900 0.04 . 1336 156 156 PHE CA C 57.5400 0.50 . 1337 156 156 PHE CB C 42.5200 0.50 . 1338 156 156 PHE N N 129.2500 0.40 . 1339 157 157 LEU H H 9.2000 0.04 . 1340 157 157 LEU HA H 5.8300 0.04 . 1341 157 157 LEU HB2 H 1.5200 0.04 . 1342 157 157 LEU HB3 H 1.2600 0.04 . 1343 157 157 LEU HG H 1.5400 0.04 . 1344 157 157 LEU HD1 H 0.5600 0.04 . 1345 157 157 LEU HD2 H 0.6800 0.04 . 1346 157 157 LEU CA C 53.4400 0.50 . 1347 157 157 LEU CB C 47.6600 0.50 . 1348 157 157 LEU CG C 27.9000 0.50 . 1349 157 157 LEU CD1 C 26.0400 0.50 . 1350 157 157 LEU CD2 C 28.0900 0.50 . 1351 157 157 LEU N N 126.5670 0.40 . 1352 158 158 ARG H H 9.4600 0.04 . 1353 158 158 ARG HA H 4.2800 0.04 . 1354 158 158 ARG HB2 H 1.1600 0.04 . 1355 158 158 ARG HB3 H 0.7800 0.04 . 1356 158 158 ARG HG2 H 0.4300 0.04 . 1357 158 158 ARG HG3 H 1.0300 0.04 . 1358 158 158 ARG HD2 H 1.7720 0.04 . 1359 158 158 ARG HD3 H 2.2500 0.04 . 1360 158 158 ARG CA C 55.7700 0.50 . 1361 158 158 ARG CB C 35.1700 0.50 . 1362 158 158 ARG CG C 26.6000 0.50 . 1363 158 158 ARG CD C 44.1400 0.50 . 1364 158 158 ARG N N 120.1900 0.40 . 1365 159 159 ALA H H 8.3100 0.04 . 1366 159 159 ALA HA H 4.6300 0.04 . 1367 159 159 ALA HB H 1.3800 0.04 . 1368 159 159 ALA CA C 50.2700 0.50 . 1369 159 159 ALA CB C 21.3800 0.50 . 1370 159 159 ALA N N 130.0000 0.40 . 1371 160 160 LYS H H 8.9300 0.04 . 1372 160 160 LYS HA H 3.7400 0.04 . 1373 160 160 LYS HB2 H 1.9100 0.04 . 1374 160 160 LYS HB3 H 1.6700 0.04 . 1375 160 160 LYS HG2 H 1.3900 0.04 . 1376 160 160 LYS HG3 H 1.3900 0.04 . 1377 160 160 LYS HD2 H 1.6800 0.04 . 1378 160 160 LYS HD3 H 1.6800 0.04 . 1379 160 160 LYS HE2 H 2.9900 0.04 . 1380 160 160 LYS HE3 H 2.9900 0.04 . 1381 160 160 LYS CA C 59.7700 0.50 . 1382 160 160 LYS CB C 33.8800 0.50 . 1383 160 160 LYS CG C 25.2900 0.50 . 1384 160 160 LYS CD C 30.1400 0.50 . 1385 160 160 LYS CE C 42.6000 0.50 . 1386 160 160 LYS N N 118.6770 0.40 . 1387 161 161 ASP H H 7.3100 0.04 . 1388 161 161 ASP HA H 4.3600 0.04 . 1389 161 161 ASP HB2 H 3.0900 0.04 . 1390 161 161 ASP HB3 H 3.0000 0.04 . 1391 161 161 ASP CA C 52.6900 0.50 . 1392 161 161 ASP CB C 43.4100 0.50 . 1393 161 161 ASP N N 111.0000 0.40 . 1394 162 162 GLU H H 9.2800 0.04 . 1395 162 162 GLU HA H 3.7800 0.04 . 1396 162 162 GLU HB2 H 2.0200 0.04 . 1397 162 162 GLU HB3 H 1.9000 0.04 . 1398 162 162 GLU HG2 H 2.1800 0.04 . 1399 162 162 GLU HG3 H 2.1800 0.04 . 1400 162 162 GLU CA C 60.3300 0.50 . 1401 162 162 GLU CB C 30.1500 0.50 . 1402 162 162 GLU CG C 36.5300 0.50 . 1403 162 162 GLU N N 121.9410 0.40 . 1404 163 163 ALA H H 8.3910 0.04 . 1405 163 163 ALA HA H 3.9700 0.04 . 1406 163 163 ALA HB H 1.4200 0.04 . 1407 163 163 ALA CA C 56.2100 0.50 . 1408 163 163 ALA CB C 18.7700 0.50 . 1409 163 163 ALA N N 123.6190 0.40 . 1410 164 164 SER H H 8.7700 0.04 . 1411 164 164 SER HA H 4.3500 0.04 . 1412 164 164 SER HB2 H 4.1700 0.04 . 1413 164 164 SER HB3 H 4.0100 0.04 . 1414 164 164 SER CA C 61.8200 0.50 . 1415 164 164 SER CB C 63.5000 0.50 . 1416 164 164 SER N N 116.4270 0.40 . 1417 165 165 ALA H H 8.1860 0.04 . 1418 165 165 ALA HA H 3.9800 0.04 . 1419 165 165 ALA HB H 1.4100 0.04 . 1420 165 165 ALA CA C 56.5500 0.50 . 1421 165 165 ALA CB C 19.3300 0.50 . 1422 165 165 ALA N N 123.6400 0.40 . 1423 166 166 ARG H H 9.0300 0.04 . 1424 166 166 ARG HA H 3.8200 0.04 . 1425 166 166 ARG HB2 H 1.9500 0.04 . 1426 166 166 ARG HB3 H 1.8800 0.04 . 1427 166 166 ARG HG2 H 1.7400 0.04 . 1428 166 166 ARG HG3 H 1.5500 0.04 . 1429 166 166 ARG HD2 H 3.2100 0.04 . 1430 166 166 ARG HD3 H 3.2100 0.04 . 1431 166 166 ARG CA C 60.9200 0.50 . 1432 166 166 ARG CB C 31.2000 0.50 . 1433 166 166 ARG CG C 29.2600 0.50 . 1434 166 166 ARG CD C 44.2800 0.50 . 1435 166 166 ARG N N 120.0000 0.40 . 1436 167 167 SER H H 7.9700 0.04 . 1437 167 167 SER HA H 4.2000 0.04 . 1438 167 167 SER HB2 H 3.9900 0.04 . 1439 167 167 SER HB3 H 3.9900 0.04 . 1440 167 167 SER CA C 61.4500 0.50 . 1441 167 167 SER CB C 63.0500 0.50 . 1442 167 167 SER N N 116.5500 0.40 . 1443 168 168 TRP H H 8.4900 0.04 . 1444 168 168 TRP HA H 4.2200 0.04 . 1445 168 168 TRP HB2 H 3.1400 0.04 . 1446 168 168 TRP HB3 H 2.9700 0.04 . 1447 168 168 TRP HD1 H 7.1900 0.04 . 1448 168 168 TRP HE1 H 10.5000 0.04 . 1449 168 168 TRP HE3 H 7.3900 0.04 . 1450 168 168 TRP HZ2 H 7.0200 0.04 . 1451 168 168 TRP HZ3 H 6.7500 0.04 . 1452 168 168 TRP HH2 H 6.7900 0.04 . 1453 168 168 TRP CA C 62.0100 0.50 . 1454 168 168 TRP CB C 30.8800 0.50 . 1455 168 168 TRP N N 122.0000 0.40 . 1456 168 168 TRP NE1 N 130.0000 0.40 . 1457 169 169 ALA H H 9.0500 0.04 . 1458 169 169 ALA HA H 3.9000 0.04 . 1459 169 169 ALA HB H 1.5000 0.04 . 1460 169 169 ALA CA C 56.6300 0.50 . 1461 169 169 ALA CB C 18.5900 0.50 . 1462 169 169 ALA N N 121.7800 0.40 . 1463 170 170 GLY H H 8.1000 0.04 . 1464 170 170 GLY HA2 H 3.9100 0.04 . 1465 170 170 GLY HA3 H 3.9100 0.04 . 1466 170 170 GLY CA C 47.6600 0.50 . 1467 170 170 GLY N N 104.1150 0.40 . 1468 171 171 ALA H H 7.7700 0.04 . 1469 171 171 ALA HA H 4.1500 0.04 . 1470 171 171 ALA HB H 1.3100 0.04 . 1471 171 171 ALA CA C 55.3000 0.50 . 1472 171 171 ALA CB C 18.9600 0.50 . 1473 171 171 ALA N N 125.7700 0.40 . 1474 172 172 ILE H H 8.6400 0.04 . 1475 172 172 ILE HA H 3.6300 0.04 . 1476 172 172 ILE HB H 1.8600 0.04 . 1477 172 172 ILE HG12 H 1.0000 0.04 . 1478 172 172 ILE HG13 H 2.3200 0.04 . 1479 172 172 ILE HG2 H 0.8700 0.04 . 1480 172 172 ILE HD1 H 0.8300 0.04 . 1481 172 172 ILE CA C 66.1100 0.50 . 1482 172 172 ILE CB C 39.4900 0.50 . 1483 172 172 ILE CG1 C 31.3900 0.50 . 1484 172 172 ILE CG2 C 19.1400 0.50 . 1485 172 172 ILE CD1 C 15.2300 0.50 . 1486 172 172 ILE N N 119.0000 0.40 . 1487 173 173 GLN H H 8.6400 0.04 . 1488 173 173 GLN HA H 3.9500 0.04 . 1489 173 173 GLN HB2 H 2.1100 0.04 . 1490 173 173 GLN HB3 H 2.3000 0.04 . 1491 173 173 GLN HG2 H 2.4400 0.04 . 1492 173 173 GLN HG3 H 2.4400 0.04 . 1493 173 173 GLN CA C 59.2100 0.50 . 1494 173 173 GLN CB C 29.3900 0.50 . 1495 173 173 GLN CG C 34.7700 0.50 . 1496 173 173 GLN N N 119.1000 0.40 . 1497 174 174 ALA H H 7.6940 0.04 . 1498 174 174 ALA HA H 4.2100 0.04 . 1499 174 174 ALA HB H 1.5200 0.04 . 1500 174 174 ALA CA C 54.7600 0.50 . 1501 174 174 ALA CB C 19.1400 0.50 . 1502 174 174 ALA N N 119.6320 0.40 . 1503 175 175 GLN H H 7.5400 0.04 . 1504 175 175 GLN HA H 4.4300 0.04 . 1505 175 175 GLN HB2 H 2.0100 0.04 . 1506 175 175 GLN HB3 H 2.4400 0.04 . 1507 175 175 GLN HG2 H 2.4900 0.04 . 1508 175 175 GLN HG3 H 2.4900 0.04 . 1509 175 175 GLN HE21 H 7.8100 0.04 . 1510 175 175 GLN HE22 H 6.9300 0.04 . 1511 175 175 GLN CA C 55.8600 0.50 . 1512 175 175 GLN CB C 30.0900 0.50 . 1513 175 175 GLN CG C 34.3900 0.50 . 1514 175 175 GLN N N 115.4800 0.40 . 1515 175 175 GLN NE2 N 112.7550 0.40 . 1516 176 176 ILE H H 7.6400 0.04 . 1517 176 176 ILE HA H 4.1000 0.04 . 1518 176 176 ILE HB H 2.0000 0.04 . 1519 176 176 ILE HG12 H 1.3500 0.04 . 1520 176 176 ILE HG13 H 1.8700 0.04 . 1521 176 176 ILE HG2 H 1.1000 0.04 . 1522 176 176 ILE HD1 H 0.7900 0.04 . 1523 176 176 ILE CA C 64.0600 0.50 . 1524 176 176 ILE CB C 39.4600 0.50 . 1525 176 176 ILE CG1 C 29.0200 0.50 . 1526 176 176 ILE CG2 C 18.2100 0.50 . 1527 176 176 ILE CD1 C 15.2300 0.50 . 1528 176 176 ILE N N 121.2230 0.40 . 1529 177 177 GLY H H 8.1000 0.04 . 1530 177 177 GLY HA2 H 4.1200 0.04 . 1531 177 177 GLY HA3 H 4.1200 0.04 . 1532 177 177 GLY CA C 45.9800 0.50 . 1533 177 177 GLY N N 111.7850 0.40 . 1534 178 178 THR H H 7.7300 0.04 . 1535 178 178 THR HA H 4.2300 0.04 . 1536 178 178 THR HB H 4.3100 0.04 . 1537 178 178 THR HG2 H 1.2100 0.04 . 1538 178 178 THR CA C 63.5000 0.50 . 1539 178 178 THR CB C 71.1400 0.50 . 1540 178 178 THR CG2 C 23.0600 0.50 . 1541 178 178 THR N N 119.3600 0.40 . stop_ save_