data_6253 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of human gamma S-crystallin, a 21-kDa eye-lens protein ; _BMRB_accession_number 6253 _BMRB_flat_file_name bmr6253.str _Entry_type original _Submission_date 2004-06-28 _Accession_date 2004-06-28 _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 Baraguey Carine . . 2 Skouri-Panet Feriel . . 3 Tardieu Annette . . 4 Chassaing Gerard . . 5 Lequin Olivier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 917 "13C chemical shifts" 761 "15N chemical shifts" 195 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-12-16 original author . stop_ _Original_release_date 2004-12-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C resonance assignment of human gamma S- crystallin, a 21-kDa eye-lens protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Baraguey Carine . . 2 Skouri-Panet Feriel . . 3 Bontems Francois . . 4 Tardieu Annette . . 5 Chassaing Gerard . . 6 Lequin Olivier . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 385 _Page_last 386 _Year 2004 _Details . loop_ _Keyword cataract 'gamma S-crystallin' stop_ save_ ################################## # Molecular system description # ################################## save_system_crygS _Saveframe_category molecular_system _Mol_system_name gammaS-crystallin _Abbreviation_common crygS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'gamma S-crystallin' $crygS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_crygS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'single chain polypeptide' _Name_variant C24S _Abbreviation_common crygS _Molecular_mass 20859.5 _Mol_thiol_state 'all free' _Details 'Swissprot CRBS HUMAN P22914' ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; SKTGTKITFYEDKNFQGRRY DCDSDCADFHTYLSRCNSIK VEGGTWAVYERPNFAGYMYI LPQGEYPEYQRWMGLNDRLS SCRAVHLPSGGQYKIQIFEK GDFSGQMYETTEDCPSIMEQ FHMREIHSCKVLEGVWIFYE LPNYRGRQYLLDKKEYRKPI DWGAASPAVQSFRRIVE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LYS 3 THR 4 GLY 5 THR 6 LYS 7 ILE 8 THR 9 PHE 10 TYR 11 GLU 12 ASP 13 LYS 14 ASN 15 PHE 16 GLN 17 GLY 18 ARG 19 ARG 20 TYR 21 ASP 22 CYS 23 ASP 24 SER 25 ASP 26 CYS 27 ALA 28 ASP 29 PHE 30 HIS 31 THR 32 TYR 33 LEU 34 SER 35 ARG 36 CYS 37 ASN 38 SER 39 ILE 40 LYS 41 VAL 42 GLU 43 GLY 44 GLY 45 THR 46 TRP 47 ALA 48 VAL 49 TYR 50 GLU 51 ARG 52 PRO 53 ASN 54 PHE 55 ALA 56 GLY 57 TYR 58 MET 59 TYR 60 ILE 61 LEU 62 PRO 63 GLN 64 GLY 65 GLU 66 TYR 67 PRO 68 GLU 69 TYR 70 GLN 71 ARG 72 TRP 73 MET 74 GLY 75 LEU 76 ASN 77 ASP 78 ARG 79 LEU 80 SER 81 SER 82 CYS 83 ARG 84 ALA 85 VAL 86 HIS 87 LEU 88 PRO 89 SER 90 GLY 91 GLY 92 GLN 93 TYR 94 LYS 95 ILE 96 GLN 97 ILE 98 PHE 99 GLU 100 LYS 101 GLY 102 ASP 103 PHE 104 SER 105 GLY 106 GLN 107 MET 108 TYR 109 GLU 110 THR 111 THR 112 GLU 113 ASP 114 CYS 115 PRO 116 SER 117 ILE 118 MET 119 GLU 120 GLN 121 PHE 122 HIS 123 MET 124 ARG 125 GLU 126 ILE 127 HIS 128 SER 129 CYS 130 LYS 131 VAL 132 LEU 133 GLU 134 GLY 135 VAL 136 TRP 137 ILE 138 PHE 139 TYR 140 GLU 141 LEU 142 PRO 143 ASN 144 TYR 145 ARG 146 GLY 147 ARG 148 GLN 149 TYR 150 LEU 151 LEU 152 ASP 153 LYS 154 LYS 155 GLU 156 TYR 157 ARG 158 LYS 159 PRO 160 ILE 161 ASP 162 TRP 163 GLY 164 ALA 165 ALA 166 SER 167 PRO 168 ALA 169 VAL 170 GLN 171 SER 172 PHE 173 ARG 174 ARG 175 ILE 176 VAL 177 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17576 gamma-S-WT 100.00 178 99.44 99.44 7.35e-129 BMRB 17582 gamma-S-G18V 100.00 178 98.87 98.87 1.05e-127 PDB 2M3T "Solution-state Nmr Structure Of Wild-type Human Gamma(s)-crystallin" 100.00 178 99.44 99.44 7.35e-129 PDB 2M3U "Solution-state Nmr Structure Of Cataract-related Human Gamma(s)- Crystallin Point Variant G18v" 100.00 178 98.87 98.87 1.05e-127 DBJ BAG36855 "unnamed protein product [Homo sapiens]" 100.00 178 99.44 99.44 5.90e-129 GB AAD45901 "gammaS-crystallin [Homo sapiens]" 100.00 178 99.44 99.44 5.90e-129 GB AAF72490 "gammaS-crystallin [Homo sapiens]" 100.00 178 99.44 99.44 5.90e-129 GB AAH69478 "Crystallin, gamma S [Homo sapiens]" 100.00 178 99.44 99.44 5.90e-129 GB AAH70241 "Crystallin, gamma S [Homo sapiens]" 100.00 178 99.44 99.44 5.90e-129 GB ADQ32938 "crystallin, gamma S [synthetic construct]" 100.00 178 99.44 99.44 5.90e-129 REF NP_060011 "beta-crystallin S [Homo sapiens]" 100.00 178 99.44 99.44 5.90e-129 REF XP_001092090 "PREDICTED: beta-crystallin S isoform 1 [Macaca mulatta]" 100.00 178 98.31 98.87 8.51e-128 REF XP_002758251 "PREDICTED: beta-crystallin S isoform X1 [Callithrix jacchus]" 100.00 178 97.74 99.44 9.92e-128 REF XP_003256655 "PREDICTED: beta-crystallin S isoform 1 [Nomascus leucogenys]" 100.00 178 98.31 98.87 1.75e-127 REF XP_003894751 "PREDICTED: beta-crystallin S [Papio anubis]" 100.00 178 98.31 98.87 8.51e-128 SP P22914 "RecName: Full=Beta-crystallin S; AltName: Full=Gamma-S-crystallin; AltName: Full=Gamma-crystallin S [Homo sapiens]" 100.00 178 99.44 99.44 5.90e-129 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $crygS Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $crygS 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET3a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $crygS . mM 1 2 '[U-15N; U-13C]' 'sodium phosphate' 13.3 mM . . . KCl 30 mM . . . EDTA 0.3 mM . . . DTT 0.3 mM . . . DSS 0.1 mM . . . NaN3 0.02 '% (w/v)' . . . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label . save_ save_3D_1H-15N_TOCSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_3D_1H-13C_NOESY-HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HMQC' _Sample_label . save_ save_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.005 M pH 6 0.2 n/a temperature 310 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_shift_set_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_reference _Mol_system_component_name 'gamma S-crystallin' _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 . 2 LYS CA C 56.500 0.1 1 2 . 2 LYS HA H 4.471 0.02 1 3 . 2 LYS CB C 32.950 0.1 1 4 . 2 LYS HB2 H 1.904 0.02 1 5 . 2 LYS HB3 H 1.832 0.02 1 6 . 2 LYS CG C 24.570 0.1 1 7 . 2 LYS HG2 H 1.460 0.02 1 8 . 2 LYS CD C 28.945 0.1 1 9 . 2 LYS HD2 H 1.690 0.02 1 10 . 2 LYS CE C 41.797 0.1 1 11 . 2 LYS HE2 H 2.987 0.02 1 12 . 2 LYS C C 176.884 0.1 1 13 . 3 THR N N 114.489 0.1 1 14 . 3 THR H H 8.205 0.02 1 15 . 3 THR CA C 61.700 0.1 1 16 . 3 THR HA H 4.398 0.02 1 17 . 3 THR CB C 69.740 0.1 1 18 . 3 THR HB H 4.280 0.02 1 19 . 3 THR HG2 H 1.234 0.02 1 20 . 3 THR CG2 C 21.510 0.1 1 21 . 3 THR C C 175.132 0.1 1 22 . 4 GLY N N 110.934 0.1 1 23 . 4 GLY H H 8.273 0.02 1 24 . 4 GLY CA C 45.111 0.1 1 25 . 4 GLY HA2 H 3.984 0.02 1 26 . 4 GLY C C 173.649 0.1 1 27 . 5 THR N N 114.055 0.1 1 28 . 5 THR H H 8.006 0.02 1 29 . 5 THR CA C 59.842 0.1 1 30 . 5 THR HA H 4.547 0.02 1 31 . 5 THR CB C 69.760 0.1 1 32 . 5 THR HB H 4.112 0.02 1 33 . 5 THR HG2 H 1.028 0.02 1 34 . 5 THR CG2 C 20.630 0.1 1 35 . 5 THR C C 173.574 0.1 1 36 . 6 LYS N N 124.921 0.1 1 37 . 6 LYS H H 8.517 0.02 1 38 . 6 LYS CA C 56.283 0.1 1 39 . 6 LYS HA H 5.030 0.02 1 40 . 6 LYS CB C 35.700 0.1 1 41 . 6 LYS HB2 H 1.666 0.02 1 42 . 6 LYS CG C 24.296 0.1 1 43 . 6 LYS HG2 H 1.209 0.02 1 44 . 6 LYS CD C 28.871 0.1 1 45 . 6 LYS HD2 H 1.488 0.02 1 46 . 6 LYS CE C 41.523 0.1 1 47 . 6 LYS HE2 H 2.736 0.02 1 48 . 6 LYS C C 172.515 0.1 1 49 . 7 ILE N N 125.415 0.1 1 50 . 7 ILE H H 8.408 0.02 1 51 . 7 ILE CA C 59.300 0.1 1 52 . 7 ILE HA H 4.504 0.02 1 53 . 7 ILE CB C 41.996 0.1 1 54 . 7 ILE HB H -0.346 0.02 1 55 . 7 ILE HG2 H -0.048 0.02 1 56 . 7 ILE CG2 C 15.273 0.1 1 57 . 7 ILE CG1 C 27.778 0.1 1 58 . 7 ILE HG12 H 0.550 0.02 1 59 . 7 ILE HG13 H -0.769 0.02 1 60 . 7 ILE HD1 H -0.542 0.02 1 61 . 7 ILE CD1 C 13.906 0.1 1 62 . 7 ILE C C 171.283 0.1 1 63 . 8 THR N N 121.934 0.1 1 64 . 8 THR H H 8.299 0.02 1 65 . 8 THR CA C 61.400 0.1 1 66 . 8 THR HA H 4.587 0.02 1 67 . 8 THR CB C 70.920 0.1 1 68 . 8 THR HB H 3.517 0.02 1 69 . 8 THR HG2 H 0.565 0.02 1 70 . 8 THR CG2 C 21.860 0.1 1 71 . 8 THR C C 171.968 0.1 1 72 . 9 PHE N N 125.254 0.1 1 73 . 9 PHE H H 8.653 0.02 1 74 . 9 PHE CA C 56.600 0.1 1 75 . 9 PHE HA H 4.653 0.02 1 76 . 9 PHE CB C 42.053 0.1 1 77 . 9 PHE HB2 H 3.146 0.02 1 78 . 9 PHE HB3 H 2.583 0.02 1 79 . 9 PHE CD1 C 132.060 0.1 1 80 . 9 PHE CE1 C 130.652 0.1 1 81 . 9 PHE CZ C 130.248 0.1 1 82 . 9 PHE HZ H 6.386 0.02 1 83 . 9 PHE HD1 H 7.056 0.02 1 84 . 9 PHE HE1 H 6.865 0.02 1 85 . 9 PHE C C 174.398 0.1 1 86 . 10 TYR N N 118.060 0.1 1 87 . 10 TYR H H 8.989 0.02 1 88 . 10 TYR CA C 56.800 0.1 1 89 . 10 TYR HA H 5.483 0.02 1 90 . 10 TYR CB C 39.553 0.1 1 91 . 10 TYR HB2 H 3.396 0.02 1 92 . 10 TYR HB3 H 3.226 0.02 1 93 . 10 TYR C C 178.127 0.1 1 94 . 11 GLU N N 120.911 0.1 1 95 . 11 GLU H H 9.149 0.02 1 96 . 11 GLU CA C 58.800 0.1 1 97 . 11 GLU HA H 4.728 0.02 1 98 . 11 GLU CB C 31.950 0.1 1 99 . 11 GLU HB2 H 2.255 0.02 1 100 . 11 GLU HB3 H 2.175 0.02 1 101 . 11 GLU CG C 38.242 0.1 1 102 . 11 GLU HG2 H 2.737 0.02 1 103 . 11 GLU CD C 183.867 0.1 1 104 . 11 GLU C C 176.821 0.1 1 105 . 12 ASP N N 115.331 0.1 1 106 . 12 ASP H H 8.049 0.02 1 107 . 12 ASP CA C 52.400 0.1 1 108 . 12 ASP HA H 5.379 0.02 1 109 . 12 ASP CB C 43.930 0.1 1 110 . 12 ASP HB2 H 2.762 0.02 1 111 . 12 ASP HB3 H 2.349 0.02 1 112 . 12 ASP CG C 180.390 0.1 1 113 . 12 ASP C C 175.910 0.1 1 114 . 13 LYS N N 118.157 0.1 1 115 . 13 LYS H H 8.557 0.02 1 116 . 13 LYS CA C 56.764 0.1 1 117 . 13 LYS HA H 3.897 0.02 1 118 . 13 LYS CB C 33.831 0.1 1 119 . 13 LYS HB2 H 1.873 0.02 1 120 . 13 LYS HB3 H 1.766 0.02 1 121 . 13 LYS CG C 26.080 0.1 1 122 . 13 LYS HG2 H 1.728 0.02 1 123 . 13 LYS HG3 H 1.486 0.02 1 124 . 13 LYS CD C 29.700 0.1 1 125 . 13 LYS HD2 H 1.690 0.02 1 126 . 13 LYS CE C 41.797 0.1 1 127 . 13 LYS HE2 H 2.986 0.02 1 128 . 13 LYS C C 176.977 0.1 1 129 . 14 ASN N N 113.148 0.1 1 130 . 14 ASN H H 9.206 0.02 1 131 . 14 ASN CA C 54.360 0.1 1 132 . 14 ASN HA H 3.172 0.02 1 133 . 14 ASN CB C 36.761 0.1 1 134 . 14 ASN HB2 H 2.835 0.02 1 135 . 14 ASN HB3 H 2.541 0.02 1 136 . 14 ASN CG C 178.014 0.1 1 137 . 14 ASN ND2 N 112.382 0.1 1 138 . 14 ASN HD21 H 7.398 0.02 1 139 . 14 ASN HD22 H 6.708 0.02 1 140 . 14 ASN C C 173.694 0.1 1 141 . 15 PHE N N 112.215 0.1 1 142 . 15 PHE H H 7.965 0.02 1 143 . 15 PHE CA C 55.805 0.1 1 144 . 15 PHE HA H 2.839 0.02 1 145 . 15 PHE CB C 34.857 0.1 1 146 . 15 PHE HB2 H 2.983 0.02 1 147 . 15 PHE HB3 H 2.043 0.02 1 148 . 15 PHE CD1 C 131.911 0.1 1 149 . 15 PHE CE1 C 131.240 0.1 1 150 . 15 PHE HD1 H 6.796 0.02 1 151 . 15 PHE HE1 H 7.274 0.02 1 152 . 15 PHE C C 174.757 0.1 1 153 . 16 GLN N N 116.706 0.1 1 154 . 16 GLN H H 6.251 0.02 1 155 . 16 GLN CA C 53.420 0.1 1 156 . 16 GLN HA H 4.655 0.02 1 157 . 16 GLN CB C 31.670 0.1 1 158 . 16 GLN HB2 H 2.248 0.02 1 159 . 16 GLN HB3 H 1.817 0.02 1 160 . 16 GLN CG C 33.600 0.1 1 161 . 16 GLN HG2 H 2.322 0.02 1 162 . 16 GLN CD C 181.228 0.1 1 163 . 16 GLN NE2 N 112.619 0.1 1 164 . 16 GLN HE21 H 7.182 0.02 1 165 . 16 GLN HE22 H 6.824 0.02 1 166 . 16 GLN C C 174.608 0.1 1 167 . 17 GLY N N 105.257 0.1 1 168 . 17 GLY H H 8.281 0.02 1 169 . 17 GLY CA C 44.197 0.1 1 170 . 17 GLY HA2 H 3.851 0.02 1 171 . 17 GLY HA3 H 4.530 0.02 1 172 . 17 GLY C C 174.740 0.1 1 173 . 18 ARG N N 119.525 0.1 1 174 . 18 ARG H H 8.462 0.02 1 175 . 18 ARG CA C 57.983 0.1 1 176 . 18 ARG HA H 4.203 0.02 1 177 . 18 ARG CB C 31.194 0.1 1 178 . 18 ARG HB2 H 1.860 0.02 1 179 . 18 ARG HB3 H 1.787 0.02 1 180 . 18 ARG CG C 27.578 0.1 1 181 . 18 ARG HG2 H 1.928 0.02 1 182 . 18 ARG HG3 H 1.777 0.02 1 183 . 18 ARG CD C 43.984 0.1 1 184 . 18 ARG HD2 H 3.371 0.02 1 185 . 18 ARG NE N 85.105 0.1 1 186 . 18 ARG HE H 7.358 0.02 1 187 . 18 ARG CZ C 160.157 0.1 1 188 . 18 ARG C C 173.964 0.1 1 189 . 19 ARG N N 118.117 0.1 1 190 . 19 ARG H H 8.075 0.02 1 191 . 19 ARG CA C 52.968 0.1 1 192 . 19 ARG HA H 5.701 0.02 1 193 . 19 ARG CB C 34.850 0.1 1 194 . 19 ARG HB2 H 1.401 0.02 1 195 . 19 ARG HB3 H 1.230 0.02 1 196 . 19 ARG CG C 25.390 0.1 1 197 . 19 ARG HG2 H 1.457 0.02 1 198 . 19 ARG HG3 H 1.119 0.02 1 199 . 19 ARG CD C 43.711 0.1 1 200 . 19 ARG HD2 H 3.091 0.02 1 201 . 19 ARG HD3 H 3.002 0.02 1 202 . 19 ARG NE N 86.020 0.1 1 203 . 19 ARG HE H 7.604 0.02 1 204 . 19 ARG CZ C 160.021 0.1 1 205 . 19 ARG C C 175.716 0.1 1 206 . 20 TYR N N 123.132 0.1 1 207 . 20 TYR H H 8.893 0.02 1 208 . 20 TYR CA C 58.110 0.1 1 209 . 20 TYR HA H 4.639 0.02 1 210 . 20 TYR CB C 42.553 0.1 1 211 . 20 TYR HB2 H 2.794 0.02 1 212 . 20 TYR HB3 H 2.513 0.02 1 213 . 20 TYR CD1 C 132.059 0.1 1 214 . 20 TYR CE1 C 118.762 0.1 1 215 . 20 TYR HE1 H 6.358 0.02 1 216 . 20 TYR HD1 H 6.545 0.02 1 217 . 20 TYR C C 172.710 0.1 1 218 . 21 ASP N N 126.630 0.1 1 219 . 21 ASP H H 7.458 0.02 1 220 . 21 ASP CA C 52.841 0.1 1 221 . 21 ASP HA H 5.030 0.02 1 222 . 21 ASP CB C 43.843 0.1 1 223 . 21 ASP HB2 H 2.195 0.02 1 224 . 21 ASP CG C 180.188 0.1 1 225 . 21 ASP C C 174.173 0.1 1 226 . 22 CYS N N 118.470 0.1 1 227 . 22 CYS H H 8.705 0.02 1 228 . 22 CYS CA C 58.110 0.1 1 229 . 22 CYS HA H 4.563 0.02 1 230 . 22 CYS CB C 30.000 0.1 1 231 . 22 CYS HB2 H 3.068 0.02 1 232 . 22 CYS HB3 H 2.472 0.02 1 233 . 22 CYS C C 172.897 0.1 1 234 . 23 ASP N N 122.324 0.1 1 235 . 23 ASP H H 8.475 0.02 1 236 . 23 ASP CA C 52.822 0.1 1 237 . 23 ASP HA H 5.248 0.02 1 238 . 23 ASP CB C 41.805 0.1 1 239 . 23 ASP HB2 H 3.248 0.02 1 240 . 23 ASP HB3 H 2.584 0.02 1 241 . 23 ASP CG C 181.000 0.1 1 242 . 23 ASP C C 175.761 0.1 1 243 . 24 SER N N 113.981 0.1 1 244 . 24 SER H H 8.103 0.02 1 245 . 24 SER CA C 56.930 0.1 1 246 . 24 SER HA H 4.739 0.02 1 247 . 24 SER CB C 65.100 0.1 1 248 . 24 SER HB2 H 4.023 0.02 1 249 . 24 SER C C 172.373 0.1 1 250 . 25 ASP N N 119.020 0.1 1 251 . 25 ASP H H 8.086 0.02 1 252 . 25 ASP CA C 56.293 0.1 1 253 . 25 ASP HA H 4.877 0.02 1 254 . 25 ASP CB C 40.659 0.1 1 255 . 25 ASP HB2 H 2.899 0.02 1 256 . 25 ASP CG C 179.394 0.1 1 257 . 25 ASP C C 176.644 0.1 1 258 . 26 CYS N N 123.170 0.1 1 259 . 26 CYS H H 9.413 0.02 1 260 . 26 CYS CA C 58.639 0.1 1 261 . 26 CYS HA H 5.032 0.02 1 262 . 26 CYS CB C 29.583 0.1 1 263 . 26 CYS HB2 H 3.434 0.02 1 264 . 26 CYS C C 174.176 0.1 1 265 . 27 ALA N N 130.819 0.1 1 266 . 27 ALA H H 9.156 0.02 1 267 . 27 ALA CA C 54.100 0.1 1 268 . 27 ALA HA H 3.687 0.02 1 269 . 27 ALA HB H 1.387 0.02 1 270 . 27 ALA CB C 18.650 0.1 1 271 . 27 ALA C C 176.338 0.1 1 272 . 28 ASP N N 113.254 0.1 1 273 . 28 ASP H H 7.590 0.02 1 274 . 28 ASP CA C 54.552 0.1 1 275 . 28 ASP HA H 4.886 0.02 1 276 . 28 ASP CB C 40.565 0.1 1 277 . 28 ASP HB2 H 3.017 0.02 1 278 . 28 ASP HB3 H 2.656 0.02 1 279 . 28 ASP C C 176.210 0.1 1 280 . 29 PHE N N 123.810 0.1 1 281 . 29 PHE H H 8.592 0.02 1 282 . 29 PHE CA C 55.811 0.1 1 283 . 29 PHE HA H 5.050 0.02 1 284 . 29 PHE CB C 37.534 0.1 1 285 . 29 PHE HB2 H 2.931 0.02 1 286 . 29 PHE HB3 H 2.703 0.02 1 287 . 29 PHE CD1 C 131.243 0.1 1 288 . 29 PHE HD1 H 6.825 0.02 1 289 . 29 PHE C C 177.820 0.1 1 290 . 30 HIS N N 122.781 0.1 1 291 . 30 HIS H H 8.745 0.02 1 292 . 30 HIS CA C 58.696 0.1 1 293 . 30 HIS HA H 4.844 0.02 1 294 . 30 HIS CB C 27.239 0.1 1 295 . 30 HIS HB2 H 3.529 0.02 1 296 . 30 HIS HB3 H 3.120 0.02 1 297 . 30 HIS ND1 N 183.362 0.1 1 298 . 30 HIS CD2 C 121.415 0.1 1 299 . 30 HIS CE1 C 136.350 0.1 1 300 . 30 HIS NE2 N 180.835 0.1 1 301 . 30 HIS HD2 H 7.086 0.02 1 302 . 30 HIS HE1 H 8.325 0.02 1 303 . 30 HIS C C 175.290 0.1 1 304 . 31 THR N N 110.298 0.1 1 305 . 31 THR H H 7.523 0.02 1 306 . 31 THR CA C 63.400 0.1 1 307 . 31 THR HA H 3.668 0.02 1 308 . 31 THR CB C 68.000 0.1 1 309 . 31 THR HB H 3.622 0.02 1 310 . 31 THR HG2 H 0.589 0.02 1 311 . 31 THR CG2 C 21.050 0.1 1 312 . 31 THR C C 174.667 0.1 1 313 . 32 TYR N N 119.718 0.1 1 314 . 32 TYR H H 7.265 0.02 1 315 . 32 TYR CA C 58.216 0.1 1 316 . 32 TYR HA H 4.414 0.02 1 317 . 32 TYR CB C 39.502 0.1 1 318 . 32 TYR HB2 H 3.088 0.02 1 319 . 32 TYR HB3 H 2.317 0.02 1 320 . 32 TYR CD1 C 132.924 0.1 1 321 . 32 TYR HD1 H 6.776 0.02 1 322 . 32 TYR C C 175.101 0.1 1 323 . 33 LEU N N 118.504 0.1 1 324 . 33 LEU H H 7.342 0.02 1 325 . 33 LEU CA C 54.580 0.1 1 326 . 33 LEU HA H 4.631 0.02 1 327 . 33 LEU CB C 45.350 0.1 1 328 . 33 LEU HB2 H 1.903 0.02 1 329 . 33 LEU HB3 H 1.329 0.02 1 330 . 33 LEU HG H 1.705 0.02 1 331 . 33 LEU HD1 H 0.872 0.02 1 332 . 33 LEU HD2 H 0.810 0.02 1 333 . 33 LEU CD1 C 26.380 0.1 1 334 . 33 LEU CD2 C 26.930 0.1 1 335 . 33 LEU C C 175.985 0.1 1 336 . 34 SER N N 120.380 0.1 1 337 . 34 SER H H 9.438 0.02 1 338 . 34 SER CA C 59.900 0.1 1 339 . 34 SER HA H 4.476 0.02 1 340 . 34 SER CB C 63.940 0.1 1 341 . 34 SER HB2 H 3.945 0.02 1 342 . 34 SER C C 173.529 0.1 1 343 . 35 ARG N N 117.597 0.1 1 344 . 35 ARG H H 7.922 0.02 1 345 . 35 ARG CA C 54.386 0.1 1 346 . 35 ARG HA H 4.799 0.02 1 347 . 35 ARG CB C 31.341 0.1 1 348 . 35 ARG HB2 H 2.044 0.02 1 349 . 35 ARG HB3 H 1.794 0.02 1 350 . 35 ARG CG C 25.390 0.1 1 351 . 35 ARG HG2 H 1.776 0.02 1 352 . 35 ARG HG3 H 1.583 0.02 1 353 . 35 ARG CD C 43.437 0.1 1 354 . 35 ARG HD2 H 3.240 0.02 1 355 . 35 ARG HD3 H 3.193 0.02 1 356 . 35 ARG NE N 85.012 0.1 1 357 . 35 ARG HE H 6.865 0.02 1 358 . 35 ARG CZ C 159.793 0.1 1 359 . 35 ARG C C 173.185 0.1 1 360 . 36 CYS N N 117.919 0.1 1 361 . 36 CYS H H 9.677 0.02 1 362 . 36 CYS CA C 58.320 0.1 1 363 . 36 CYS HA H 5.310 0.02 1 364 . 36 CYS CB C 28.703 0.1 1 365 . 36 CYS HB2 H 2.752 0.02 1 366 . 36 CYS HB3 H 2.659 0.02 1 367 . 36 CYS C C 172.735 0.1 1 368 . 37 ASN N N 121.790 0.1 1 369 . 37 ASN H H 8.485 0.02 1 370 . 37 ASN CA C 53.323 0.1 1 371 . 37 ASN HA H 5.310 0.02 1 372 . 37 ASN CB C 43.687 0.1 1 373 . 37 ASN HB2 H 2.764 0.02 1 374 . 37 ASN HB3 H 2.349 0.02 1 375 . 37 ASN CG C 178.865 0.1 1 376 . 37 ASN ND2 N 115.906 0.1 1 377 . 37 ASN HD21 H 8.496 0.02 1 378 . 37 ASN HD22 H 8.074 0.02 1 379 . 37 ASN C C 173.934 0.1 1 380 . 38 SER N N 109.022 0.1 1 381 . 38 SER H H 8.373 0.02 1 382 . 38 SER CA C 60.100 0.1 1 383 . 38 SER HA H 5.031 0.02 1 384 . 38 SER CB C 64.650 0.1 1 385 . 38 SER HB2 H 4.314 0.02 1 386 . 38 SER HB3 H 3.826 0.02 1 387 . 38 SER C C 173.034 0.1 1 388 . 39 ILE N N 119.113 0.1 1 389 . 39 ILE H H 9.045 0.02 1 390 . 39 ILE CA C 60.740 0.1 1 391 . 39 ILE HA H 5.378 0.02 1 392 . 39 ILE CB C 45.138 0.1 1 393 . 39 ILE HB H 1.214 0.02 1 394 . 39 ILE HG2 H 0.277 0.02 1 395 . 39 ILE CG2 C 18.281 0.1 1 396 . 39 ILE CG1 C 30.039 0.1 1 397 . 39 ILE HG12 H 1.421 0.02 1 398 . 39 ILE HG13 H 0.744 0.02 1 399 . 39 ILE HD1 H -0.555 0.02 1 400 . 39 ILE CD1 C 12.530 0.1 1 401 . 39 ILE C C 176.115 0.1 1 402 . 40 LYS N N 125.434 0.1 1 403 . 40 LYS H H 9.004 0.02 1 404 . 40 LYS CA C 56.300 0.1 1 405 . 40 LYS HA H 5.007 0.02 1 406 . 40 LYS CB C 36.047 0.1 1 407 . 40 LYS HB2 H 1.728 0.02 1 408 . 40 LYS HB3 H 1.647 0.02 1 409 . 40 LYS CG C 27.031 0.1 1 410 . 40 LYS HG2 H 1.285 0.02 1 411 . 40 LYS HG3 H 0.868 0.02 1 412 . 40 LYS CD C 29.100 0.1 1 413 . 40 LYS HD2 H 1.412 0.02 1 414 . 40 LYS CE C 40.800 0.1 1 415 . 40 LYS HE2 H 2.051 0.02 1 416 . 40 LYS HE3 H 1.819 0.02 1 417 . 40 LYS C C 174.705 0.1 1 418 . 41 VAL N N 126.125 0.1 1 419 . 41 VAL H H 9.271 0.02 1 420 . 41 VAL CA C 62.178 0.1 1 421 . 41 VAL HA H 4.271 0.02 1 422 . 41 VAL CB C 32.996 0.1 1 423 . 41 VAL HB H 2.491 0.02 1 424 . 41 VAL HG1 H 1.101 0.02 1 425 . 41 VAL HG2 H 0.740 0.02 1 426 . 41 VAL CG1 C 23.720 0.1 1 427 . 41 VAL CG2 C 21.835 0.1 1 428 . 41 VAL C C 176.390 0.1 1 429 . 42 GLU N N 128.129 0.1 1 430 . 42 GLU H H 8.525 0.02 1 431 . 42 GLU CA C 56.778 0.1 1 432 . 42 GLU HA H 4.522 0.02 1 433 . 42 GLU CB C 31.707 0.1 1 434 . 42 GLU HB2 H 2.041 0.02 1 435 . 42 GLU HB3 H 1.878 0.02 1 436 . 42 GLU CG C 36.600 0.1 1 437 . 42 GLU HG2 H 2.126 0.02 1 438 . 42 GLU C C 177.304 0.1 1 439 . 43 GLY N N 108.184 0.1 1 440 . 43 GLY H H 8.341 0.02 1 441 . 43 GLY CA C 46.500 0.1 1 442 . 43 GLY HA2 H 4.066 0.02 1 443 . 43 GLY HA3 H 4.252 0.02 1 444 . 43 GLY C C 173.125 0.1 1 445 . 44 GLY N N 111.009 0.1 1 446 . 44 GLY H H 8.031 0.02 1 447 . 44 GLY CA C 44.640 0.1 1 448 . 44 GLY HA2 H 3.860 0.02 1 449 . 44 GLY HA3 H 4.061 0.02 1 450 . 44 GLY C C 170.234 0.1 1 451 . 45 THR N N 113.733 0.1 1 452 . 45 THR H H 7.972 0.02 1 453 . 45 THR CA C 62.282 0.1 1 454 . 45 THR HA H 4.859 0.02 1 455 . 45 THR CB C 69.684 0.1 1 456 . 45 THR HB H 3.642 0.02 1 457 . 45 THR HG2 H 0.918 0.02 1 458 . 45 THR CG2 C 21.960 0.1 1 459 . 45 THR C C 173.956 0.1 1 460 . 46 TRP N N 126.495 0.1 1 461 . 46 TRP H H 8.537 0.02 1 462 . 46 TRP CA C 56.247 0.1 1 463 . 46 TRP HA H 4.856 0.02 1 464 . 46 TRP CB C 32.325 0.1 1 465 . 46 TRP HB2 H 2.942 0.02 1 466 . 46 TRP HB3 H 2.691 0.02 1 467 . 46 TRP CD1 C 126.753 0.1 1 468 . 46 TRP CE2 C 138.441 0.1 1 469 . 46 TRP NE1 N 127.379 0.1 1 470 . 46 TRP HD1 H 6.971 0.02 1 471 . 46 TRP CZ2 C 113.860 0.1 1 472 . 46 TRP HE1 H 9.425 0.02 1 473 . 46 TRP CH2 C 123.587 0.1 1 474 . 46 TRP HZ2 H 6.972 0.02 1 475 . 46 TRP HH2 H 6.641 0.02 1 476 . 46 TRP C C 173.604 0.1 1 477 . 47 ALA N N 125.046 0.1 1 478 . 47 ALA H H 9.488 0.02 1 479 . 47 ALA CA C 50.400 0.1 1 480 . 47 ALA HA H 5.209 0.02 1 481 . 47 ALA HB H 1.131 0.02 1 482 . 47 ALA CB C 20.760 0.1 1 483 . 47 ALA C C 176.345 0.1 1 484 . 48 VAL N N 117.799 0.1 1 485 . 48 VAL H H 9.046 0.02 1 486 . 48 VAL CA C 59.233 0.1 1 487 . 48 VAL HA H 5.359 0.02 1 488 . 48 VAL CB C 33.818 0.1 1 489 . 48 VAL HB H 2.320 0.02 1 490 . 48 VAL HG1 H 1.092 0.02 1 491 . 48 VAL HG2 H 0.863 0.02 1 492 . 48 VAL CG1 C 22.760 0.1 1 493 . 48 VAL CG2 C 21.430 0.1 1 494 . 48 VAL C C 173.814 0.1 1 495 . 49 TYR N N 119.640 0.1 1 496 . 49 TYR H H 8.851 0.02 1 497 . 49 TYR CA C 56.689 0.1 1 498 . 49 TYR HA H 5.594 0.02 1 499 . 49 TYR CB C 40.150 0.1 1 500 . 49 TYR HB2 H 3.336 0.02 1 501 . 49 TYR HB3 H 3.247 0.02 1 502 . 49 TYR C C 176.659 0.1 1 503 . 50 GLU N N 124.184 0.1 1 504 . 50 GLU H H 9.561 0.02 1 505 . 50 GLU CA C 58.200 0.1 1 506 . 50 GLU HA H 4.753 0.02 1 507 . 50 GLU CB C 33.326 0.1 1 508 . 50 GLU HB2 H 2.607 0.02 1 509 . 50 GLU HB3 H 2.477 0.02 1 510 . 50 GLU CG C 34.961 0.1 1 511 . 50 GLU HG2 H 2.722 0.02 1 512 . 50 GLU HG3 H 2.016 0.02 1 513 . 50 GLU C C 176.659 0.1 1 514 . 51 ARG N N 114.277 0.1 1 515 . 51 ARG H H 8.234 0.02 1 516 . 51 ARG CA C 53.400 0.1 1 517 . 51 ARG HA H 4.642 0.02 1 518 . 51 ARG CB C 30.700 0.1 1 519 . 51 ARG HB2 H 1.819 0.02 1 520 . 51 ARG HB3 H 1.245 0.02 1 521 . 51 ARG CG C 27.578 0.1 1 522 . 51 ARG HG2 H 1.472 0.02 1 523 . 51 ARG CD C 43.164 0.1 1 524 . 51 ARG HD2 H 3.110 0.02 1 525 . 51 ARG HD3 H 3.014 0.02 1 526 . 51 ARG C C 174.010 0.1 1 527 . 52 PRO CD C 50.880 0.1 1 528 . 52 PRO CA C 62.572 0.1 1 529 . 52 PRO HA H 3.966 0.02 1 530 . 52 PRO CB C 32.599 0.1 1 531 . 52 PRO HB2 H 2.173 0.02 1 532 . 52 PRO HB3 H 1.612 0.02 1 533 . 52 PRO HG2 H 3.380 0.02 1 534 . 52 PRO HD2 H 3.376 0.02 1 535 . 52 PRO C C 175.248 0.1 1 536 . 53 ASN N N 113.931 0.1 1 537 . 53 ASN H H 9.855 0.02 1 538 . 53 ASN CA C 53.976 0.1 1 539 . 53 ASN HA H 3.227 0.02 1 540 . 53 ASN CB C 36.300 0.1 1 541 . 53 ASN HB2 H 2.676 0.02 1 542 . 53 ASN CG C 178.341 0.1 1 543 . 53 ASN ND2 N 113.038 0.1 1 544 . 53 ASN HD21 H 7.281 0.02 1 545 . 53 ASN HD22 H 6.722 0.02 1 546 . 53 ASN C C 173.949 0.1 1 547 . 54 PHE N N 112.163 0.1 1 548 . 54 PHE H H 7.391 0.02 1 549 . 54 PHE CA C 55.478 0.1 1 550 . 54 PHE HA H 2.985 0.02 1 551 . 54 PHE CB C 34.452 0.1 1 552 . 54 PHE HB2 H 1.759 0.02 1 553 . 54 PHE C C 174.016 0.1 1 554 . 55 ALA N N 121.303 0.1 1 555 . 55 ALA H H 6.340 0.02 1 556 . 55 ALA CA C 50.133 0.1 1 557 . 55 ALA HA H 4.922 0.02 1 558 . 55 ALA HB H 1.288 0.02 1 559 . 55 ALA CB C 22.330 0.1 1 560 . 55 ALA C C 176.270 0.1 1 561 . 56 GLY N N 105.264 0.1 1 562 . 56 GLY H H 8.342 0.02 1 563 . 56 GLY CA C 44.109 0.1 1 564 . 56 GLY HA2 H 4.316 0.02 1 565 . 56 GLY HA3 H 3.710 0.02 1 566 . 56 GLY C C 174.429 0.1 1 567 . 57 TYR N N 121.249 0.1 1 568 . 57 TYR H H 8.288 0.02 1 569 . 57 TYR CA C 59.418 0.1 1 570 . 57 TYR HA H 4.217 0.02 1 571 . 57 TYR CB C 39.300 0.1 1 572 . 57 TYR HB2 H 2.894 0.02 1 573 . 57 TYR CD1 C 132.853 0.1 1 574 . 57 TYR CE1 C 118.137 0.1 1 575 . 57 TYR HE1 H 6.837 0.02 1 576 . 57 TYR HD1 H 7.219 0.02 1 577 . 57 TYR C C 173.754 0.1 1 578 . 58 MET N N 119.299 0.1 1 579 . 58 MET H H 7.719 0.02 1 580 . 58 MET CA C 52.600 0.1 1 581 . 58 MET HA H 5.101 0.02 1 582 . 58 MET CB C 36.135 0.1 1 583 . 58 MET HB2 H 1.631 0.02 1 584 . 58 MET HB3 H 2.050 0.02 1 585 . 58 MET HE H 1.930 0.02 1 586 . 58 MET CE C 17.700 0.1 1 587 . 58 MET C C 173.066 0.1 1 588 . 59 TYR N N 119.849 0.1 1 589 . 59 TYR H H 8.582 0.02 1 590 . 59 TYR CA C 55.073 0.1 1 591 . 59 TYR HA H 4.682 0.02 1 592 . 59 TYR CB C 40.702 0.1 1 593 . 59 TYR HB2 H 3.199 0.02 1 594 . 59 TYR HB3 H 2.366 0.02 1 595 . 59 TYR CD1 C 134.855 0.1 1 596 . 59 TYR CE1 C 117.823 0.1 1 597 . 59 TYR HE1 H 6.878 0.02 1 598 . 59 TYR HD1 H 7.138 0.02 1 599 . 59 TYR C C 174.682 0.1 1 600 . 60 ILE N N 122.918 0.1 1 601 . 60 ILE H H 8.156 0.02 1 602 . 60 ILE CA C 58.820 0.1 1 603 . 60 ILE HA H 4.953 0.02 1 604 . 60 ILE CB C 36.401 0.1 1 605 . 60 ILE HB H 2.048 0.02 1 606 . 60 ILE HG2 H 0.687 0.02 1 607 . 60 ILE CG2 C 18.281 0.1 1 608 . 60 ILE CG1 C 27.578 0.1 1 609 . 60 ILE HG12 H 1.478 0.02 1 610 . 60 ILE HG13 H 1.199 0.02 1 611 . 60 ILE HD1 H 0.674 0.02 1 612 . 60 ILE CD1 C 11.930 0.1 1 613 . 60 ILE C C 175.907 0.1 1 614 . 61 LEU N N 131.595 0.1 1 615 . 61 LEU H H 9.579 0.02 1 616 . 61 LEU CA C 52.703 0.1 1 617 . 61 LEU HA H 5.050 0.02 1 618 . 61 LEU CB C 44.710 0.1 1 619 . 61 LEU HB2 H 1.407 0.02 1 620 . 61 LEU CG C 29.360 0.1 1 621 . 61 LEU HG H 1.131 0.02 1 622 . 61 LEU HD1 H 0.283 0.02 1 623 . 61 LEU HD2 H -0.165 0.02 1 624 . 61 LEU CD1 C 26.200 0.1 1 625 . 61 LEU CD2 C 26.200 0.1 1 626 . 62 PRO CD C 50.940 0.1 1 627 . 62 PRO CA C 61.200 0.1 1 628 . 62 PRO HA H 5.073 0.02 1 629 . 62 PRO CB C 33.389 0.1 1 630 . 62 PRO HB2 H 2.459 0.02 1 631 . 62 PRO HB3 H 2.124 0.02 1 632 . 62 PRO CG C 27.031 0.1 1 633 . 62 PRO HG2 H 2.017 0.02 1 634 . 62 PRO HD2 H 4.150 0.02 1 635 . 62 PRO HD3 H 3.688 0.02 1 636 . 62 PRO C C 176.787 0.1 1 637 . 63 GLN N N 120.592 0.1 1 638 . 63 GLN H H 8.498 0.02 1 639 . 63 GLN CA C 57.492 0.1 1 640 . 63 GLN HA H 4.022 0.02 1 641 . 63 GLN CB C 29.313 0.1 1 642 . 63 GLN HB2 H 2.113 0.02 1 643 . 63 GLN HB3 H 2.054 0.02 1 644 . 63 GLN CG C 33.590 0.1 1 645 . 63 GLN HG2 H 2.487 0.02 1 646 . 63 GLN HG3 H 2.324 0.02 1 647 . 63 GLN CD C 180.458 0.1 1 648 . 63 GLN NE2 N 111.817 0.1 1 649 . 63 GLN HE21 H 7.515 0.02 1 650 . 63 GLN HE22 H 6.847 0.02 1 651 . 63 GLN C C 175.506 0.1 1 652 . 64 GLY N N 111.423 0.1 1 653 . 64 GLY H H 8.634 0.02 1 654 . 64 GLY CA C 44.487 0.1 1 655 . 64 GLY HA2 H 4.219 0.02 1 656 . 64 GLY HA3 H 3.868 0.02 1 657 . 64 GLY C C 171.210 0.1 1 658 . 65 GLU N N 117.421 0.1 1 659 . 65 GLU H H 8.201 0.02 1 660 . 65 GLU CA C 55.618 0.1 1 661 . 65 GLU HA H 4.818 0.02 1 662 . 65 GLU CB C 32.200 0.1 1 663 . 65 GLU HB2 H 1.991 0.02 1 664 . 65 GLU CG C 36.054 0.1 1 665 . 65 GLU HG2 H 2.264 0.02 1 666 . 65 GLU HG3 H 1.909 0.02 1 667 . 65 GLU CD C 182.984 0.1 1 668 . 65 GLU C C 175.866 0.1 1 669 . 66 TYR N N 118.958 0.1 1 670 . 66 TYR H H 9.205 0.02 1 671 . 66 TYR CA C 54.944 0.1 1 672 . 66 TYR HA H 5.159 0.02 1 673 . 66 TYR CB C 39.856 0.1 1 674 . 66 TYR HB2 H 3.794 0.02 1 675 . 66 TYR HB3 H 3.237 0.02 1 676 . 66 TYR CD1 C 133.808 0.1 1 677 . 66 TYR CE1 C 117.655 0.1 1 678 . 66 TYR HE1 H 6.858 0.02 1 679 . 66 TYR HD1 H 7.069 0.02 1 680 . 66 TYR C C 174.326 0.1 1 681 . 67 PRO CD C 51.740 0.1 1 682 . 67 PRO CA C 65.080 0.1 1 683 . 67 PRO HA H 3.706 0.02 1 684 . 67 PRO CB C 32.488 0.1 1 685 . 67 PRO HB2 H 2.133 0.02 1 686 . 67 PRO CG C 27.031 0.1 1 687 . 67 PRO HG2 H 2.181 0.02 1 688 . 67 PRO HG3 H 1.955 0.02 1 689 . 67 PRO HD2 H 3.924 0.02 1 690 . 67 PRO HD3 H 3.845 0.02 1 691 . 67 PRO C C 173.589 0.1 1 692 . 68 GLU N N 112.339 0.1 1 693 . 68 GLU H H 6.908 0.02 1 694 . 68 GLU CA C 54.420 0.1 1 695 . 68 GLU HA H 5.351 0.02 1 696 . 68 GLU CB C 32.799 0.1 1 697 . 68 GLU HB2 H 2.194 0.02 1 698 . 68 GLU HB3 H 1.778 0.02 1 699 . 68 GLU CG C 36.054 0.1 1 700 . 68 GLU HG2 H 2.071 0.02 1 701 . 68 GLU HG3 H 1.944 0.02 1 702 . 68 GLU CD C 183.582 0.1 1 703 . 68 GLU C C 177.717 0.1 1 704 . 69 TYR N N 121.310 0.1 1 705 . 69 TYR H H 8.312 0.02 1 706 . 69 TYR CA C 57.930 0.1 1 707 . 69 TYR HA H 1.217 0.02 1 708 . 69 TYR CB C 38.587 0.1 1 709 . 69 TYR HB2 H 2.311 0.02 1 710 . 69 TYR HB3 H 2.208 0.02 1 711 . 69 TYR CD1 C 133.963 0.1 1 712 . 69 TYR CE1 C 117.163 0.1 1 713 . 69 TYR HE1 H 6.534 0.02 1 714 . 69 TYR HD1 H 6.599 0.02 1 715 . 69 TYR C C 178.433 0.1 1 716 . 70 GLN N N 123.339 0.1 1 717 . 70 GLN H H 8.391 0.02 1 718 . 70 GLN CA C 59.170 0.1 1 719 . 70 GLN HA H 3.826 0.02 1 720 . 70 GLN CB C 27.031 0.1 1 721 . 70 GLN HB2 H 1.844 0.02 1 722 . 70 GLN HB3 H 1.754 0.02 1 723 . 70 GLN CG C 34.300 0.1 1 724 . 70 GLN HG2 H 2.418 0.02 1 725 . 70 GLN HG3 H 2.080 0.02 1 726 . 70 GLN CD C 179.895 0.1 1 727 . 70 GLN NE2 N 109.321 0.1 1 728 . 70 GLN HE21 H 7.112 0.02 1 729 . 70 GLN HE22 H 6.196 0.02 1 730 . 70 GLN C C 180.014 0.1 1 731 . 71 ARG N N 117.393 0.1 1 732 . 71 ARG H H 7.989 0.02 1 733 . 71 ARG CA C 55.981 0.1 1 734 . 71 ARG HA H 4.381 0.02 1 735 . 71 ARG CB C 29.313 0.1 1 736 . 71 ARG HB2 H 2.569 0.02 1 737 . 71 ARG HB3 H 2.451 0.02 1 738 . 71 ARG CG C 27.851 0.1 1 739 . 71 ARG HG2 H 1.893 0.02 1 740 . 71 ARG CD C 41.250 0.1 1 741 . 71 ARG HD2 H 3.426 0.02 1 742 . 71 ARG NE N 83.569 0.1 1 743 . 71 ARG HE H 7.682 0.02 1 744 . 71 ARG CZ C 159.880 0.1 1 745 . 71 ARG C C 177.437 0.1 1 746 . 72 TRP N N 116.395 0.1 1 747 . 72 TRP H H 7.246 0.02 1 748 . 72 TRP CA C 56.732 0.1 1 749 . 72 TRP HA H 5.299 0.02 1 750 . 72 TRP CB C 27.275 0.1 1 751 . 72 TRP HB2 H 3.467 0.02 1 752 . 72 TRP HB3 H 2.563 0.02 1 753 . 72 TRP CD1 C 128.489 0.1 1 754 . 72 TRP CE2 C 138.610 0.1 1 755 . 72 TRP NE1 N 130.173 0.1 1 756 . 72 TRP HD1 H 6.072 0.02 1 757 . 72 TRP CZ2 C 115.475 0.1 1 758 . 72 TRP HE1 H 9.922 0.02 1 759 . 72 TRP CH2 C 122.957 0.1 1 760 . 72 TRP HZ2 H 7.307 0.02 1 761 . 72 TRP HH2 H 6.669 0.02 1 762 . 72 TRP C C 174.877 0.1 1 763 . 73 MET N N 113.201 0.1 1 764 . 73 MET H H 7.629 0.02 1 765 . 73 MET CA C 56.304 0.1 1 766 . 73 MET HA H 4.004 0.02 1 767 . 73 MET CB C 29.402 0.1 1 768 . 73 MET HB2 H 2.795 0.02 1 769 . 73 MET HB3 H 2.386 0.02 1 770 . 73 MET CG C 32.773 0.1 1 771 . 73 MET HG2 H 2.849 0.02 1 772 . 73 MET HG3 H 2.632 0.02 1 773 . 73 MET HE H 2.398 0.02 1 774 . 73 MET CE C 17.070 0.1 1 775 . 73 MET C C 176.273 0.1 1 776 . 74 GLY N N 105.395 0.1 1 777 . 74 GLY H H 7.514 0.02 1 778 . 74 GLY CA C 45.800 0.1 1 779 . 74 GLY HA2 H 3.721 0.02 1 780 . 74 GLY HA3 H 2.882 0.02 1 781 . 74 GLY C C 173.874 0.1 1 782 . 75 LEU N N 120.927 0.1 1 783 . 75 LEU H H 7.530 0.02 1 784 . 75 LEU CA C 55.650 0.1 1 785 . 75 LEU HA H 4.325 0.02 1 786 . 75 LEU CB C 42.914 0.1 1 787 . 75 LEU HB2 H 1.484 0.02 1 788 . 75 LEU HB3 H 1.325 0.02 1 789 . 75 LEU CG C 28.000 0.1 1 790 . 75 LEU HG H 1.662 0.02 1 791 . 75 LEU HD1 H 0.774 0.02 1 792 . 75 LEU HD2 H 0.609 0.02 1 793 . 75 LEU CD1 C 23.203 0.1 1 794 . 75 LEU CD2 C 24.200 0.1 1 795 . 75 LEU C C 177.048 0.1 1 796 . 76 ASN N N 112.014 0.1 1 797 . 76 ASN H H 7.297 0.02 1 798 . 76 ASN CA C 51.108 0.1 1 799 . 76 ASN HA H 3.598 0.02 1 800 . 76 ASN CB C 37.464 0.1 1 801 . 76 ASN HB2 H 3.269 0.02 1 802 . 76 ASN HB3 H 2.848 0.02 1 803 . 76 ASN CG C 176.776 0.1 1 804 . 76 ASN ND2 N 115.475 0.1 1 805 . 76 ASN HD21 H 7.746 0.02 1 806 . 76 ASN HD22 H 7.165 0.02 1 807 . 76 ASN C C 171.660 0.1 1 808 . 77 ASP N N 114.539 0.1 1 809 . 77 ASP H H 7.725 0.02 1 810 . 77 ASP CA C 52.348 0.1 1 811 . 77 ASP HA H 4.630 0.02 1 812 . 77 ASP CB C 39.236 0.1 1 813 . 77 ASP HB2 H 3.133 0.02 1 814 . 77 ASP HB3 H 2.562 0.02 1 815 . 77 ASP C C 175.761 0.1 1 816 . 78 ARG N N 119.012 0.1 1 817 . 78 ARG H H 7.831 0.02 1 818 . 78 ARG CA C 55.272 0.1 1 819 . 78 ARG HA H 4.693 0.02 1 820 . 78 ARG CB C 30.406 0.1 1 821 . 78 ARG HB2 H 1.866 0.02 1 822 . 78 ARG CG C 26.757 0.1 1 823 . 78 ARG HG2 H 1.627 0.02 1 824 . 78 ARG CD C 43.450 0.1 1 825 . 78 ARG HD2 H 3.209 0.02 1 826 . 78 ARG NE N 85.364 0.1 1 827 . 78 ARG HE H 7.314 0.02 1 828 . 78 ARG CZ C 159.890 0.1 1 829 . 78 ARG C C 175.264 0.1 1 830 . 79 LEU N N 122.660 0.1 1 831 . 79 LEU H H 7.096 0.02 1 832 . 79 LEU CA C 54.829 0.1 1 833 . 79 LEU HA H 4.988 0.02 1 834 . 79 LEU CB C 48.001 0.1 1 835 . 79 LEU HB2 H 1.596 0.02 1 836 . 79 LEU HB3 H 1.361 0.02 1 837 . 79 LEU CG C 27.150 0.1 1 838 . 79 LEU HG H 1.816 0.02 1 839 . 79 LEU HD1 H 1.189 0.02 1 840 . 79 LEU HD2 H 0.876 0.02 1 841 . 79 LEU CD1 C 24.023 0.1 1 842 . 79 LEU CD2 C 27.540 0.1 1 843 . 79 LEU C C 176.269 0.1 1 844 . 80 SER N N 109.204 0.1 1 845 . 80 SER H H 8.693 0.02 1 846 . 80 SER CA C 57.841 0.1 1 847 . 80 SER HA H 3.431 0.02 1 848 . 80 SER CB C 66.612 0.1 1 849 . 80 SER HB2 H 3.352 0.02 1 850 . 80 SER HB3 H 2.941 0.02 1 851 . 80 SER C C 171.343 0.1 1 852 . 81 SER N N 109.926 0.1 1 853 . 81 SER H H 7.648 0.02 1 854 . 81 SER CA C 59.000 0.1 1 855 . 81 SER HA H 4.559 0.02 1 856 . 81 SER CB C 65.780 0.1 1 857 . 81 SER HB2 H 4.093 0.02 1 858 . 81 SER HB3 H 3.889 0.02 1 859 . 81 SER C C 174.213 0.1 1 860 . 82 CYS N N 112.909 0.1 1 861 . 82 CYS H H 9.684 0.02 1 862 . 82 CYS CA C 56.450 0.1 1 863 . 82 CYS HA H 6.448 0.02 1 864 . 82 CYS CB C 32.857 0.1 1 865 . 82 CYS HB2 H 3.724 0.02 1 866 . 82 CYS HB3 H 3.610 0.02 1 867 . 82 CYS C C 172.106 0.1 1 868 . 83 ARG N N 119.517 0.1 1 869 . 83 ARG H H 10.060 0.02 1 870 . 83 ARG CA C 55.095 0.1 1 871 . 83 ARG HA H 4.975 0.02 1 872 . 83 ARG CB C 34.140 0.1 1 873 . 83 ARG HB2 H 1.673 0.02 1 874 . 83 ARG CG C 27.031 0.1 1 875 . 83 ARG HG2 H 1.348 0.02 1 876 . 83 ARG CD C 43.164 0.1 1 877 . 83 ARG HD2 H 2.437 0.02 1 878 . 83 ARG NE N 83.746 0.1 1 879 . 83 ARG HE H 6.570 0.02 1 880 . 83 ARG CZ C 159.522 0.1 1 881 . 83 ARG C C 173.511 0.1 1 882 . 84 ALA N N 127.508 0.1 1 883 . 84 ALA H H 8.216 0.02 1 884 . 84 ALA CA C 51.374 0.1 1 885 . 84 ALA HA H 3.218 0.02 1 886 . 84 ALA HB H 0.193 0.02 1 887 . 84 ALA CB C 17.310 0.1 1 888 . 84 ALA C C 177.019 0.1 1 889 . 85 VAL N N 122.867 0.1 1 890 . 85 VAL H H 8.002 0.02 1 891 . 85 VAL CA C 61.828 0.1 1 892 . 85 VAL HA H 3.707 0.02 1 893 . 85 VAL CB C 31.705 0.1 1 894 . 85 VAL HB H 1.561 0.02 1 895 . 85 VAL HG1 H 0.729 0.02 1 896 . 85 VAL HG2 H 0.644 0.02 1 897 . 85 VAL CG1 C 21.450 0.1 1 898 . 85 VAL CG2 C 21.450 0.1 1 899 . 85 VAL C C 174.885 0.1 1 900 . 86 HIS N N 126.303 0.1 1 901 . 86 HIS H H 8.474 0.02 1 902 . 86 HIS CA C 54.600 0.1 1 903 . 86 HIS HA H 4.611 0.02 1 904 . 86 HIS CB C 29.490 0.1 1 905 . 86 HIS HB2 H 2.983 0.02 1 906 . 86 HIS ND1 N 199.149 0.1 1 907 . 86 HIS CD2 C 119.651 0.1 1 908 . 86 HIS CE1 C 137.032 0.1 1 909 . 86 HIS NE2 N 175.523 0.1 1 910 . 86 HIS HD2 H 7.036 0.02 1 911 . 86 HIS HE1 H 8.100 0.02 1 912 . 86 HIS C C 174.216 0.1 1 913 . 87 LEU N N 126.500 0.1 1 914 . 87 LEU H H 8.539 0.02 1 915 . 87 LEU CA C 52.289 0.1 1 916 . 87 LEU HA H 4.557 0.02 1 917 . 87 LEU CB C 41.185 0.1 1 918 . 87 LEU HB2 H 1.603 0.02 1 919 . 87 LEU HB3 H 1.472 0.02 1 920 . 87 LEU CG C 27.304 0.1 1 921 . 87 LEU HG H 1.604 0.02 1 922 . 87 LEU HD1 H 0.804 0.02 1 923 . 87 LEU HD2 H 0.740 0.02 1 924 . 87 LEU CD1 C 25.090 0.1 1 925 . 87 LEU CD2 C 23.476 0.1 1 926 . 87 LEU C C 175.348 0.1 1 927 . 88 PRO CD C 50.080 0.1 1 928 . 88 PRO CA C 62.130 0.1 1 929 . 88 PRO HA H 4.517 0.02 1 930 . 88 PRO CB C 32.000 0.1 1 931 . 88 PRO HB2 H 2.257 0.02 1 932 . 88 PRO HB3 H 2.017 0.02 1 933 . 88 PRO CG C 27.400 0.1 1 934 . 88 PRO HG2 H 1.899 0.02 1 935 . 88 PRO HG3 H 1.786 0.02 1 936 . 88 PRO HD2 H 3.645 0.02 1 937 . 88 PRO C C 177.393 0.1 1 938 . 89 SER N N 117.792 0.1 1 939 . 89 SER H H 8.596 0.02 1 940 . 89 SER CA C 59.023 0.1 1 941 . 89 SER HA H 4.393 0.02 1 942 . 89 SER CB C 63.250 0.1 1 943 . 89 SER HB2 H 3.888 0.02 1 944 . 89 SER C C 176.030 0.1 1 945 . 90 GLY N N 111.213 0.1 1 946 . 90 GLY H H 8.528 0.02 1 947 . 90 GLY CA C 45.750 0.1 1 948 . 90 GLY HA2 H 3.905 0.02 1 949 . 90 GLY HA3 H 4.115 0.02 1 950 . 90 GLY C C 175.581 0.1 1 951 . 91 GLY N N 107.173 0.1 1 952 . 91 GLY H H 7.964 0.02 1 953 . 91 GLY CA C 45.792 0.1 1 954 . 91 GLY HA2 H 3.901 0.02 1 955 . 91 GLY C C 173.508 0.1 1 956 . 92 GLN N N 118.304 0.1 1 957 . 92 GLN H H 7.788 0.02 1 958 . 92 GLN CA C 54.900 0.1 1 959 . 92 GLN HA H 4.502 0.02 1 960 . 92 GLN CB C 30.040 0.1 1 961 . 92 GLN HB2 H 2.002 0.02 1 962 . 92 GLN HB3 H 1.828 0.02 1 963 . 92 GLN CG C 33.867 0.1 1 964 . 92 GLN HG2 H 2.271 0.02 1 965 . 92 GLN CD C 180.784 0.1 1 966 . 92 GLN NE2 N 112.507 0.1 1 967 . 92 GLN HE21 H 7.466 0.02 1 968 . 92 GLN HE22 H 6.801 0.02 1 969 . 92 GLN C C 174.368 0.1 1 970 . 93 TYR N N 118.987 0.1 1 971 . 93 TYR H H 8.274 0.02 1 972 . 93 TYR CA C 56.500 0.1 1 973 . 93 TYR HA H 4.492 0.02 1 974 . 93 TYR CB C 40.570 0.1 1 975 . 93 TYR HB2 H 2.751 0.02 1 976 . 93 TYR CD1 C 133.118 0.1 1 977 . 93 TYR CE1 C 119.025 0.1 1 978 . 93 TYR HE1 H 6.856 0.02 1 979 . 93 TYR HD1 H 6.648 0.02 1 980 . 93 TYR C C 175.217 0.1 1 981 . 94 LYS N N 122.633 0.1 1 982 . 94 LYS H H 9.082 0.02 1 983 . 94 LYS CA C 57.841 0.1 1 984 . 94 LYS HA H 5.026 0.02 1 985 . 94 LYS CB C 35.137 0.1 1 986 . 94 LYS HB2 H 2.070 0.02 1 987 . 94 LYS HB3 H 1.581 0.02 1 988 . 94 LYS CG C 25.250 0.1 1 989 . 94 LYS HG2 H 1.277 0.02 1 990 . 94 LYS CD C 28.945 0.1 1 991 . 94 LYS HD2 H 1.710 0.02 1 992 . 94 LYS CE C 41.250 0.1 1 993 . 94 LYS HE2 H 2.929 0.02 1 994 . 94 LYS HE3 H 2.780 0.02 1 995 . 94 LYS C C 173.199 0.1 1 996 . 95 ILE N N 128.646 0.1 1 997 . 95 ILE H H 8.979 0.02 1 998 . 95 ILE CA C 59.300 0.1 1 999 . 95 ILE HA H 4.862 0.02 1 1000 . 95 ILE CB C 42.900 0.1 1 1001 . 95 ILE HB H 0.079 0.02 1 1002 . 95 ILE HG2 H -0.413 0.02 1 1003 . 95 ILE CG2 C 15.108 0.1 1 1004 . 95 ILE CG1 C 28.398 0.1 1 1005 . 95 ILE HG12 H 0.912 0.02 1 1006 . 95 ILE HG13 H 0.182 0.02 1 1007 . 95 ILE HD1 H -0.547 0.02 1 1008 . 95 ILE CD1 C 13.085 0.1 1 1009 . 95 ILE C C 171.505 0.1 1 1010 . 96 GLN N N 122.795 0.1 1 1011 . 96 GLN H H 8.691 0.02 1 1012 . 96 GLN CA C 53.550 0.1 1 1013 . 96 GLN HA H 5.134 0.02 1 1014 . 96 GLN CB C 30.858 0.1 1 1015 . 96 GLN HB2 H 2.044 0.02 1 1016 . 96 GLN HB3 H 1.564 0.02 1 1017 . 96 GLN CG C 33.867 0.1 1 1018 . 96 GLN HG2 H 2.201 0.02 1 1019 . 96 GLN CD C 178.618 0.1 1 1020 . 96 GLN NE2 N 109.225 0.1 1 1021 . 96 GLN HE21 H 7.905 0.02 1 1022 . 96 GLN HE22 H 6.316 0.02 1 1023 . 96 GLN C C 175.536 0.1 1 1024 . 97 ILE N N 116.405 0.1 1 1025 . 97 ILE H H 8.786 0.02 1 1026 . 97 ILE CA C 59.730 0.1 1 1027 . 97 ILE HA H 4.770 0.02 1 1028 . 97 ILE CB C 40.646 0.1 1 1029 . 97 ILE HB H 1.721 0.02 1 1030 . 97 ILE HG2 H 0.449 0.02 1 1031 . 97 ILE CG2 C 18.281 0.1 1 1032 . 97 ILE CG1 C 25.390 0.1 1 1033 . 97 ILE HG12 H 1.395 0.02 1 1034 . 97 ILE HG13 H 0.750 0.02 1 1035 . 97 ILE HD1 H 0.329 0.02 1 1036 . 97 ILE CD1 C 12.810 0.1 1 1037 . 97 ILE C C 173.424 0.1 1 1038 . 98 PHE N N 117.437 0.1 1 1039 . 98 PHE H H 8.065 0.02 1 1040 . 98 PHE CA C 56.800 0.1 1 1041 . 98 PHE HA H 5.508 0.02 1 1042 . 98 PHE CB C 41.370 0.1 1 1043 . 98 PHE HB2 H 3.411 0.02 1 1044 . 98 PHE C C 176.500 0.1 1 1045 . 99 GLU N N 120.771 0.1 1 1046 . 99 GLU H H 8.776 0.02 1 1047 . 99 GLU CA C 57.664 0.1 1 1048 . 99 GLU HA H 4.350 0.02 1 1049 . 99 GLU CB C 33.123 0.1 1 1050 . 99 GLU HB2 H 2.431 0.02 1 1051 . 99 GLU HB3 H 2.322 0.02 1 1052 . 99 GLU CG C 36.054 0.1 1 1053 . 99 GLU HG2 H 2.701 0.02 1 1054 . 99 GLU HG3 H 2.404 0.02 1 1055 . 99 GLU CD C 183.218 0.1 1 1056 . 99 GLU C C 175.985 0.1 1 1057 . 100 LYS N N 112.706 0.1 1 1058 . 100 LYS H H 7.828 0.02 1 1059 . 100 LYS CA C 53.854 0.1 1 1060 . 100 LYS HA H 4.523 0.02 1 1061 . 100 LYS CB C 35.781 0.1 1 1062 . 100 LYS HB2 H 1.777 0.02 1 1063 . 100 LYS HB3 H 1.464 0.02 1 1064 . 100 LYS CG C 25.664 0.1 1 1065 . 100 LYS HG2 H 1.319 0.02 1 1066 . 100 LYS HG3 H 1.207 0.02 1 1067 . 100 LYS CD C 28.900 0.1 1 1068 . 100 LYS HD2 H 1.621 0.02 1 1069 . 100 LYS HD3 H 1.467 0.02 1 1070 . 100 LYS CE C 41.800 0.1 1 1071 . 100 LYS HE2 H 2.925 0.02 1 1072 . 100 LYS C C 176.315 0.1 1 1073 . 101 GLY N N 106.616 0.1 1 1074 . 101 GLY H H 8.504 0.02 1 1075 . 101 GLY CA C 44.729 0.1 1 1076 . 101 GLY HA2 H 3.818 0.02 1 1077 . 101 GLY C C 173.457 0.1 1 1078 . 102 ASP N N 114.806 0.1 1 1079 . 102 ASP H H 8.944 0.02 1 1080 . 102 ASP CA C 55.715 0.1 1 1081 . 102 ASP HA H 3.118 0.02 1 1082 . 102 ASP CB C 38.882 0.1 1 1083 . 102 ASP HB2 H 2.633 0.02 1 1084 . 102 ASP HB3 H 2.384 0.02 1 1085 . 102 ASP CG C 181.972 0.1 1 1086 . 102 ASP C C 174.188 0.1 1 1087 . 103 PHE N N 111.512 0.1 1 1088 . 103 PHE H H 7.866 0.02 1 1089 . 103 PHE CA C 55.172 0.1 1 1090 . 103 PHE HA H 2.627 0.02 1 1091 . 103 PHE CB C 35.338 0.1 1 1092 . 103 PHE HB2 H 2.964 0.02 1 1093 . 103 PHE HB3 H 2.067 0.02 1 1094 . 103 PHE CD1 C 131.190 0.1 1 1095 . 103 PHE HD1 H 6.601 0.02 1 1096 . 103 PHE C C 175.147 0.1 1 1097 . 104 SER N N 113.423 0.1 1 1098 . 104 SER H H 6.463 0.02 1 1099 . 104 SER CA C 56.979 0.1 1 1100 . 104 SER HA H 4.896 0.02 1 1101 . 104 SER CB C 65.549 0.1 1 1102 . 104 SER HB2 H 3.761 0.02 1 1103 . 104 SER C C 173.065 0.1 1 1104 . 105 GLY N N 106.014 0.1 1 1105 . 105 GLY H H 8.249 0.02 1 1106 . 105 GLY CA C 44.197 0.1 1 1107 . 105 GLY HA2 H 4.106 0.02 1 1108 . 105 GLY HA3 H 3.856 0.02 1 1109 . 105 GLY C C 173.379 0.1 1 1110 . 106 GLN N N 120.695 0.1 1 1111 . 106 GLN H H 8.768 0.02 1 1112 . 106 GLN CA C 57.044 0.1 1 1113 . 106 GLN HA H 3.900 0.02 1 1114 . 106 GLN CB C 29.481 0.1 1 1115 . 106 GLN HB2 H 2.046 0.02 1 1116 . 106 GLN HB3 H 1.849 0.02 1 1117 . 106 GLN CG C 33.730 0.1 1 1118 . 106 GLN HG2 H 2.364 0.02 1 1119 . 106 GLN HG3 H 1.914 0.02 1 1120 . 106 GLN CD C 180.318 0.1 1 1121 . 106 GLN NE2 N 113.776 0.1 1 1122 . 106 GLN HE21 H 6.925 0.02 1 1123 . 106 GLN HE22 H 6.835 0.02 1 1124 . 106 GLN C C 173.499 0.1 1 1125 . 107 MET N N 124.046 0.1 1 1126 . 107 MET H H 7.595 0.02 1 1127 . 107 MET CA C 52.614 0.1 1 1128 . 107 MET HA H 4.985 0.02 1 1129 . 107 MET CB C 35.397 0.1 1 1130 . 107 MET HB2 H 1.521 0.02 1 1131 . 107 MET CG C 31.840 0.1 1 1132 . 107 MET HG2 H 1.454 0.02 1 1133 . 107 MET HE H 1.800 0.02 1 1134 . 107 MET CE C 17.200 0.1 1 1135 . 107 MET C C 175.524 0.1 1 1136 . 108 TYR N N 122.124 0.1 1 1137 . 108 TYR H H 8.194 0.02 1 1138 . 108 TYR CA C 57.407 0.1 1 1139 . 108 TYR HA H 4.603 0.02 1 1140 . 108 TYR CB C 41.923 0.1 1 1141 . 108 TYR HB2 H 2.593 0.02 1 1142 . 108 TYR HB3 H 1.754 0.02 1 1143 . 108 TYR CD1 C 133.687 0.1 1 1144 . 108 TYR CE1 C 118.183 0.1 1 1145 . 108 TYR HE1 H 6.941 0.02 1 1146 . 108 TYR HD1 H 7.010 0.02 1 1147 . 108 TYR C C 173.472 0.1 1 1148 . 109 GLU N N 122.861 0.1 1 1149 . 109 GLU H H 8.692 0.02 1 1150 . 109 GLU CA C 53.798 0.1 1 1151 . 109 GLU HA H 5.451 0.02 1 1152 . 109 GLU CB C 33.920 0.1 1 1153 . 109 GLU HB2 H 2.044 0.02 1 1154 . 109 GLU HB3 H 1.920 0.02 1 1155 . 109 GLU CG C 37.740 0.1 1 1156 . 109 GLU HG2 H 2.035 0.02 1 1157 . 109 GLU CD C 183.312 0.1 1 1158 . 109 GLU C C 175.431 0.1 1 1159 . 110 THR N N 118.075 0.1 1 1160 . 110 THR H H 8.838 0.02 1 1161 . 110 THR CA C 59.599 0.1 1 1162 . 110 THR HA H 5.251 0.02 1 1163 . 110 THR CB C 70.510 0.1 1 1164 . 110 THR HB H 4.409 0.02 1 1165 . 110 THR HG2 H 1.471 0.02 1 1166 . 110 THR CG2 C 19.790 0.1 1 1167 . 110 THR C C 171.477 0.1 1 1168 . 111 THR N N 114.960 0.1 1 1169 . 111 THR H H 8.076 0.02 1 1170 . 111 THR CA C 60.940 0.1 1 1171 . 111 THR HA H 5.218 0.02 1 1172 . 111 THR CB C 70.140 0.1 1 1173 . 111 THR HB H 4.962 0.02 1 1174 . 111 THR HG2 H 1.489 0.02 1 1175 . 111 THR CG2 C 21.080 0.1 1 1176 . 111 THR C C 173.719 0.1 1 1177 . 112 GLU N N 121.915 0.1 1 1178 . 112 GLU H H 8.409 0.02 1 1179 . 112 GLU CA C 54.500 0.1 1 1180 . 112 GLU HA H 4.744 0.02 1 1181 . 112 GLU CB C 34.009 0.1 1 1182 . 112 GLU HB2 H 2.346 0.02 1 1183 . 112 GLU HB3 H 1.939 0.02 1 1184 . 112 GLU CG C 36.328 0.1 1 1185 . 112 GLU HG2 H 2.438 0.02 1 1186 . 112 GLU HG3 H 2.306 0.02 1 1187 . 112 GLU CD C 184.639 0.1 1 1188 . 112 GLU C C 175.078 0.1 1 1189 . 113 ASP N N 118.648 0.1 1 1190 . 113 ASP H H 8.212 0.02 1 1191 . 113 ASP CA C 55.892 0.1 1 1192 . 113 ASP HA H 4.781 0.02 1 1193 . 113 ASP CB C 41.036 0.1 1 1194 . 113 ASP HB2 H 3.326 0.02 1 1195 . 113 ASP HB3 H 2.564 0.02 1 1196 . 113 ASP C C 176.239 0.1 1 1197 . 114 CYS N N 121.075 0.1 1 1198 . 114 CYS H H 8.951 0.02 1 1199 . 114 CYS CA C 55.500 0.1 1 1200 . 114 CYS HA H 4.948 0.02 1 1201 . 114 CYS CB C 28.300 0.1 1 1202 . 114 CYS HB2 H 2.336 0.02 1 1203 . 114 CYS HB3 H 1.055 0.02 1 1204 . 114 CYS C C 172.805 0.1 1 1205 . 115 PRO CD C 50.547 0.1 1 1206 . 115 PRO CA C 64.180 0.1 1 1207 . 115 PRO HA H 3.941 0.02 1 1208 . 115 PRO CB C 31.700 0.1 1 1209 . 115 PRO HB2 H 1.898 0.02 1 1210 . 115 PRO CG C 26.120 0.1 1 1211 . 115 PRO HG2 H 1.969 0.02 1 1212 . 115 PRO HD2 H 3.950 0.02 1 1213 . 115 PRO HD3 H 3.486 0.02 1 1214 . 115 PRO C C 175.895 0.1 1 1215 . 116 SER N N 111.648 0.1 1 1216 . 116 SER H H 7.120 0.02 1 1217 . 116 SER CA C 56.689 0.1 1 1218 . 116 SER HA H 4.921 0.02 1 1219 . 116 SER CB C 62.470 0.1 1 1220 . 116 SER HB2 H 3.962 0.02 1 1221 . 116 SER HB3 H 3.535 0.02 1 1222 . 116 SER C C 175.323 0.1 1 1223 . 117 ILE N N 131.621 0.1 1 1224 . 117 ILE H H 8.642 0.02 1 1225 . 117 ILE CA C 64.746 0.1 1 1226 . 117 ILE HA H 3.993 0.02 1 1227 . 117 ILE CB C 38.472 0.1 1 1228 . 117 ILE HB H 1.822 0.02 1 1229 . 117 ILE HG2 H 1.021 0.02 1 1230 . 117 ILE CG2 C 18.007 0.1 1 1231 . 117 ILE CG1 C 27.940 0.1 1 1232 . 117 ILE HG12 H 1.539 0.02 1 1233 . 117 ILE HG13 H 1.044 0.02 1 1234 . 117 ILE HD1 H 0.663 0.02 1 1235 . 117 ILE CD1 C 14.870 0.1 1 1236 . 117 ILE C C 178.696 0.1 1 1237 . 118 MET N N 123.592 0.1 1 1238 . 118 MET H H 8.871 0.02 1 1239 . 118 MET CA C 58.373 0.1 1 1240 . 118 MET HA H 4.271 0.02 1 1241 . 118 MET CB C 31.400 0.1 1 1242 . 118 MET HB2 H 2.116 0.02 1 1243 . 118 MET HB3 H 1.922 0.02 1 1244 . 118 MET CG C 32.650 0.1 1 1245 . 118 MET HG2 H 2.669 0.02 1 1246 . 118 MET HG3 H 2.433 0.02 1 1247 . 118 MET HE H 1.967 0.02 1 1248 . 118 MET CE C 16.780 0.1 1 1249 . 118 MET C C 178.666 0.1 1 1250 . 119 GLU N N 117.625 0.1 1 1251 . 119 GLU H H 7.606 0.02 1 1252 . 119 GLU CA C 58.727 0.1 1 1253 . 119 GLU HA H 3.908 0.02 1 1254 . 119 GLU CB C 29.668 0.1 1 1255 . 119 GLU HB2 H 1.961 0.02 1 1256 . 119 GLU HB3 H 1.860 0.02 1 1257 . 119 GLU CG C 36.328 0.1 1 1258 . 119 GLU HG2 H 2.210 0.02 1 1259 . 119 GLU CD C 183.601 0.1 1 1260 . 119 GLU C C 177.419 0.1 1 1261 . 120 GLN N N 113.937 0.1 1 1262 . 120 GLN H H 7.276 0.02 1 1263 . 120 GLN CA C 57.733 0.1 1 1264 . 120 GLN HA H 3.889 0.02 1 1265 . 120 GLN CB C 29.782 0.1 1 1266 . 120 GLN HB2 H 1.522 0.02 1 1267 . 120 GLN HB3 H 0.926 0.02 1 1268 . 120 GLN CG C 33.046 0.1 1 1269 . 120 GLN HG2 H 1.549 0.02 1 1270 . 120 GLN HG3 H 1.274 0.02 1 1271 . 120 GLN CD C 179.353 0.1 1 1272 . 120 GLN NE2 N 111.005 0.1 1 1273 . 120 GLN HE21 H 6.965 0.02 1 1274 . 120 GLN HE22 H 6.745 0.02 1 1275 . 120 GLN C C 176.435 0.1 1 1276 . 121 PHE N N 113.613 0.1 1 1277 . 121 PHE H H 7.781 0.02 1 1278 . 121 PHE CA C 56.158 0.1 1 1279 . 121 PHE HA H 4.385 0.02 1 1280 . 121 PHE CB C 40.299 0.1 1 1281 . 121 PHE HB2 H 2.822 0.02 1 1282 . 121 PHE HB3 H 2.400 0.02 1 1283 . 121 PHE C C 174.378 0.1 1 1284 . 122 HIS N N 114.473 0.1 1 1285 . 122 HIS H H 7.483 0.02 1 1286 . 122 HIS CA C 56.135 0.1 1 1287 . 122 HIS HA H 4.803 0.02 1 1288 . 122 HIS CB C 26.232 0.1 1 1289 . 122 HIS HB2 H 3.466 0.02 1 1290 . 122 HIS ND1 N 181.983 0.1 1 1291 . 122 HIS CD2 C 119.629 0.1 1 1292 . 122 HIS CE1 C 136.127 0.1 1 1293 . 122 HIS NE2 N 174.488 0.1 1 1294 . 122 HIS HD2 H 7.192 0.02 1 1295 . 122 HIS HE1 H 8.413 0.02 1 1296 . 122 HIS C C 174.137 0.1 1 1297 . 123 MET N N 115.655 0.1 1 1298 . 123 MET H H 6.907 0.02 1 1299 . 123 MET CA C 54.718 0.1 1 1300 . 123 MET HA H 4.803 0.02 1 1301 . 123 MET CB C 37.850 0.1 1 1302 . 123 MET HB2 H 2.207 0.02 1 1303 . 123 MET HB3 H 1.700 0.02 1 1304 . 123 MET CG C 31.679 0.1 1 1305 . 123 MET HG2 H 2.585 0.02 1 1306 . 123 MET HE H 2.050 0.02 1 1307 . 123 MET CE C 17.000 0.1 1 1308 . 123 MET C C 174.488 0.1 1 1309 . 124 ARG N N 118.490 0.1 1 1310 . 124 ARG H H 8.810 0.02 1 1311 . 124 ARG CA C 56.641 0.1 1 1312 . 124 ARG HA H 4.408 0.02 1 1313 . 124 ARG CB C 31.950 0.1 1 1314 . 124 ARG HB2 H 1.895 0.02 1 1315 . 124 ARG CG C 27.851 0.1 1 1316 . 124 ARG HG2 H 1.723 0.02 1 1317 . 124 ARG CD C 43.160 0.1 1 1318 . 124 ARG HD2 H 3.248 0.02 1 1319 . 124 ARG C C 175.481 0.1 1 1320 . 125 GLU N N 115.363 0.1 1 1321 . 125 GLU H H 7.554 0.02 1 1322 . 125 GLU CA C 54.209 0.1 1 1323 . 125 GLU HA H 4.894 0.02 1 1324 . 125 GLU CB C 34.452 0.1 1 1325 . 125 GLU HB2 H 2.094 0.02 1 1326 . 125 GLU CG C 36.054 0.1 1 1327 . 125 GLU HG2 H 2.203 0.02 1 1328 . 125 GLU CD C 183.602 0.1 1 1329 . 125 GLU C C 174.708 0.1 1 1330 . 126 ILE N N 118.963 0.1 1 1331 . 126 ILE H H 8.090 0.02 1 1332 . 126 ILE CA C 61.210 0.1 1 1333 . 126 ILE HA H 4.442 0.02 1 1334 . 126 ILE CB C 40.430 0.1 1 1335 . 126 ILE HB H 1.526 0.02 1 1336 . 126 ILE HG2 H 1.013 0.02 1 1337 . 126 ILE CG2 C 18.007 0.1 1 1338 . 126 ILE CG1 C 27.304 0.1 1 1339 . 126 ILE HG12 H 1.296 0.02 1 1340 . 126 ILE HG13 H 0.876 0.02 1 1341 . 126 ILE HD1 H 0.396 0.02 1 1342 . 126 ILE CD1 C 13.900 0.1 1 1343 . 126 ILE C C 174.113 0.1 1 1344 . 127 HIS N N 120.555 0.1 1 1345 . 127 HIS H H 7.717 0.02 1 1346 . 127 HIS CA C 57.650 0.1 1 1347 . 127 HIS HA H 4.641 0.02 1 1348 . 127 HIS CB C 34.629 0.1 1 1349 . 127 HIS HB2 H 3.009 0.02 1 1350 . 127 HIS HB3 H 2.341 0.02 1 1351 . 127 HIS ND1 N 233.968 0.1 1 1352 . 127 HIS CD2 C 117.876 0.1 1 1353 . 127 HIS CE1 C 137.659 0.1 1 1354 . 127 HIS NE2 N 172.853 0.1 1 1355 . 127 HIS HD2 H 7.006 0.02 1 1356 . 127 HIS HE1 H 7.830 0.02 1 1357 . 127 HIS C C 174.488 0.1 1 1358 . 128 SER N N 105.775 0.1 1 1359 . 128 SER H H 7.934 0.02 1 1360 . 128 SER CA C 59.259 0.1 1 1361 . 128 SER HA H 4.643 0.02 1 1362 . 128 SER CB C 64.752 0.1 1 1363 . 128 SER HB2 H 4.449 0.02 1 1364 . 128 SER HB3 H 4.256 0.02 1 1365 . 128 SER C C 173.619 0.1 1 1366 . 129 CYS N N 115.026 0.1 1 1367 . 129 CYS H H 9.883 0.02 1 1368 . 129 CYS CA C 57.600 0.1 1 1369 . 129 CYS HA H 5.829 0.02 1 1370 . 129 CYS CB C 29.760 0.1 1 1371 . 129 CYS HB2 H 3.045 0.02 1 1372 . 129 CYS HB3 H 2.835 0.02 1 1373 . 129 CYS C C 172.780 0.1 1 1374 . 130 LYS N N 122.989 0.1 1 1375 . 130 LYS H H 9.497 0.02 1 1376 . 130 LYS CA C 55.900 0.1 1 1377 . 130 LYS HA H 5.100 0.02 1 1378 . 130 LYS CB C 32.226 0.1 1 1379 . 130 LYS HB2 H 1.870 0.02 1 1380 . 130 LYS HB3 H 1.673 0.02 1 1381 . 130 LYS CG C 24.570 0.1 1 1382 . 130 LYS HG2 H 1.545 0.02 1 1383 . 130 LYS HG3 H 1.298 0.02 1 1384 . 130 LYS CD C 29.492 0.1 1 1385 . 130 LYS HD2 H 1.699 0.02 1 1386 . 130 LYS CE C 42.000 0.1 1 1387 . 130 LYS HE2 H 3.069 0.02 1 1388 . 131 VAL CA C 62.572 0.1 1 1389 . 131 VAL HA H 3.995 0.02 1 1390 . 131 VAL CB C 30.859 0.1 1 1391 . 131 VAL HB H 2.669 0.02 1 1392 . 131 VAL HG1 H 0.842 0.02 1 1393 . 131 VAL HG2 H 0.718 0.02 1 1394 . 131 VAL CG1 C 23.360 0.1 1 1395 . 131 VAL CG2 C 21.562 0.1 1 1396 . 132 LEU CA C 56.836 0.1 1 1397 . 132 LEU HA H 4.168 0.02 1 1398 . 132 LEU CB C 42.070 0.1 1 1399 . 132 LEU HB2 H 1.723 0.02 1 1400 . 132 LEU HB3 H 1.367 0.02 1 1401 . 132 LEU CG C 28.398 0.1 1 1402 . 132 LEU HG H 1.545 0.02 1 1403 . 132 LEU HD1 H 0.768 0.02 1 1404 . 132 LEU HD2 H 0.748 0.02 1 1405 . 132 LEU CD1 C 25.240 0.1 1 1406 . 132 LEU CD2 C 23.476 0.1 1 1407 . 133 GLU CA C 55.469 0.1 1 1408 . 133 GLU HA H 4.626 0.02 1 1409 . 133 GLU CB C 33.046 0.1 1 1410 . 133 GLU HB2 H 1.894 0.02 1 1411 . 133 GLU HB3 H 1.627 0.02 1 1412 . 133 GLU CG C 35.234 0.1 1 1413 . 133 GLU HG2 H 2.128 0.02 1 1414 . 133 GLU C C 176.863 0.1 1 1415 . 134 GLY N N 113.092 0.1 1 1416 . 134 GLY H H 8.990 0.02 1 1417 . 134 GLY CA C 44.123 0.1 1 1418 . 134 GLY HA2 H 3.163 0.02 1 1419 . 134 GLY HA3 H 3.820 0.02 1 1420 . 134 GLY C C 170.833 0.1 1 1421 . 135 VAL N N 115.317 0.1 1 1422 . 135 VAL H H 6.319 0.02 1 1423 . 135 VAL CA C 61.740 0.1 1 1424 . 135 VAL HA H 4.797 0.02 1 1425 . 135 VAL CB C 34.687 0.1 1 1426 . 135 VAL HB H 1.830 0.02 1 1427 . 135 VAL HG1 H 0.971 0.02 1 1428 . 135 VAL HG2 H 0.944 0.02 1 1429 . 135 VAL CG1 C 21.950 0.1 1 1430 . 135 VAL CG2 C 22.200 0.1 1 1431 . 136 TRP CA C 55.538 0.1 1 1432 . 136 TRP HA H 5.332 0.02 1 1433 . 136 TRP CB C 32.700 0.1 1 1434 . 136 TRP HB2 H 3.081 0.02 1 1435 . 136 TRP HB3 H 2.615 0.02 1 1436 . 136 TRP CD1 C 126.660 0.1 1 1437 . 136 TRP CE3 C 119.832 0.1 1 1438 . 136 TRP CE2 C 137.949 0.1 1 1439 . 136 TRP NE1 N 123.665 0.1 1 1440 . 136 TRP HD1 H 6.885 0.02 1 1441 . 136 TRP HE3 H 7.349 0.02 1 1442 . 136 TRP CZ3 C 124.075 0.1 1 1443 . 136 TRP CZ2 C 113.790 0.1 1 1444 . 136 TRP HE1 H 9.003 0.02 1 1445 . 136 TRP HZ3 H 7.305 0.02 1 1446 . 136 TRP CH2 C 125.255 0.1 1 1447 . 136 TRP HZ2 H 7.076 0.02 1 1448 . 136 TRP HH2 H 6.915 0.02 1 1449 . 136 TRP C C 173.364 0.1 1 1450 . 137 ILE N N 119.369 0.1 1 1451 . 137 ILE H H 9.432 0.02 1 1452 . 137 ILE CA C 59.436 0.1 1 1453 . 137 ILE HA H 4.954 0.02 1 1454 . 137 ILE CB C 41.805 0.1 1 1455 . 137 ILE HB H 1.603 0.02 1 1456 . 137 ILE HG2 H 0.349 0.02 1 1457 . 137 ILE CG2 C 17.460 0.1 1 1458 . 137 ILE CG1 C 27.578 0.1 1 1459 . 137 ILE HG12 H 1.489 0.02 1 1460 . 137 ILE HG13 H 0.699 0.02 1 1461 . 137 ILE HD1 H 0.783 0.02 1 1462 . 137 ILE CD1 C 14.500 0.1 1 1463 . 137 ILE C C 176.584 0.1 1 1464 . 138 PHE N N 125.430 0.1 1 1465 . 138 PHE H H 8.925 0.02 1 1466 . 138 PHE CA C 53.074 0.1 1 1467 . 138 PHE HA H 5.491 0.02 1 1468 . 138 PHE CB C 41.036 0.1 1 1469 . 138 PHE HB2 H 3.014 0.02 1 1470 . 138 PHE CD1 C 128.968 0.1 1 1471 . 138 PHE HD1 H 6.192 0.02 1 1472 . 138 PHE C C 174.877 0.1 1 1473 . 139 TYR N N 116.716 0.1 1 1474 . 139 TYR H H 8.938 0.02 1 1475 . 139 TYR CA C 56.560 0.1 1 1476 . 139 TYR HA H 5.774 0.02 1 1477 . 139 TYR CB C 39.812 0.1 1 1478 . 139 TYR HB2 H 3.604 0.02 1 1479 . 139 TYR HB3 H 3.327 0.02 1 1480 . 139 TYR C C 177.348 0.1 1 1481 . 140 GLU N N 122.163 0.1 1 1482 . 140 GLU H H 9.170 0.02 1 1483 . 140 GLU CA C 59.000 0.1 1 1484 . 140 GLU HA H 4.450 0.02 1 1485 . 140 GLU CB C 33.300 0.1 1 1486 . 140 GLU HB2 H 2.494 0.02 1 1487 . 140 GLU HB3 H 2.376 0.02 1 1488 . 140 GLU CG C 36.054 0.1 1 1489 . 140 GLU HG2 H 2.672 0.02 1 1490 . 140 GLU HG3 H 2.375 0.02 1 1491 . 140 GLU CD C 183.549 0.1 1 1492 . 140 GLU C C 175.311 0.1 1 1493 . 141 LEU N N 113.541 0.1 1 1494 . 141 LEU H H 8.039 0.02 1 1495 . 141 LEU CA C 51.994 0.1 1 1496 . 141 LEU HA H 5.005 0.02 1 1497 . 141 LEU CB C 42.093 0.1 1 1498 . 141 LEU HB2 H 1.466 0.02 1 1499 . 141 LEU CG C 27.300 0.1 1 1500 . 141 LEU HG H 1.586 0.02 1 1501 . 141 LEU HD1 H 0.997 0.02 1 1502 . 141 LEU HD2 H 0.919 0.02 1 1503 . 141 LEU CD1 C 22.109 0.1 1 1504 . 141 LEU CD2 C 25.000 0.1 1 1505 . 141 LEU C C 174.678 0.1 1 1506 . 142 PRO CD C 50.820 0.1 1 1507 . 142 PRO CA C 62.409 0.1 1 1508 . 142 PRO HA H 4.185 0.02 1 1509 . 142 PRO CB C 32.220 0.1 1 1510 . 142 PRO HB2 H 2.443 0.02 1 1511 . 142 PRO HB3 H 1.852 0.02 1 1512 . 142 PRO CG C 27.851 0.1 1 1513 . 142 PRO HG2 H 2.044 0.02 1 1514 . 142 PRO HD2 H 3.697 0.02 1 1515 . 142 PRO HD3 H 3.623 0.02 1 1516 . 142 PRO C C 175.673 0.1 1 1517 . 143 ASN N N 112.926 0.1 1 1518 . 143 ASN H H 9.632 0.02 1 1519 . 143 ASN CA C 54.120 0.1 1 1520 . 143 ASN HA H 3.176 0.02 1 1521 . 143 ASN CB C 36.819 0.1 1 1522 . 143 ASN HB2 H 2.743 0.02 1 1523 . 143 ASN HB3 H 2.549 0.02 1 1524 . 143 ASN CG C 178.355 0.1 1 1525 . 143 ASN ND2 N 112.040 0.1 1 1526 . 143 ASN HD21 H 7.270 0.02 1 1527 . 143 ASN HD22 H 6.698 0.02 1 1528 . 143 ASN C C 173.335 0.1 1 1529 . 144 TYR N N 112.040 0.1 1 1530 . 144 TYR H H 7.843 0.02 1 1531 . 144 TYR CA C 54.900 0.1 1 1532 . 144 TYR HA H 2.819 0.02 1 1533 . 144 TYR CB C 33.920 0.1 1 1534 . 144 TYR HB2 H 2.985 0.02 1 1535 . 144 TYR HB3 H 1.922 0.02 1 1536 . 144 TYR CD1 C 132.455 0.1 1 1537 . 144 TYR CE1 C 117.961 0.1 1 1538 . 144 TYR HE1 H 6.724 0.02 1 1539 . 144 TYR HD1 H 6.703 0.02 1 1540 . 144 TYR C C 174.897 0.1 1 1541 . 145 ARG N N 116.574 0.1 1 1542 . 145 ARG H H 6.143 0.02 1 1543 . 145 ARG CA C 53.670 0.1 1 1544 . 145 ARG HA H 4.861 0.02 1 1545 . 145 ARG CB C 34.009 0.1 1 1546 . 145 ARG HB2 H 1.911 0.02 1 1547 . 145 ARG HB3 H 1.599 0.02 1 1548 . 145 ARG CG C 27.031 0.1 1 1549 . 145 ARG HG2 H 1.620 0.02 1 1550 . 145 ARG CD C 43.164 0.1 1 1551 . 145 ARG HD2 H 3.244 0.02 1 1552 . 145 ARG C C 174.892 0.1 1 1553 . 146 GLY N N 105.575 0.1 1 1554 . 146 GLY H H 8.278 0.02 1 1555 . 146 GLY CA C 44.197 0.1 1 1556 . 146 GLY HA2 H 4.317 0.02 1 1557 . 146 GLY HA3 H 3.907 0.02 1 1558 . 146 GLY C C 173.949 0.1 1 1559 . 147 ARG N N 120.743 0.1 1 1560 . 147 ARG H H 8.556 0.02 1 1561 . 147 ARG CA C 57.753 0.1 1 1562 . 147 ARG HA H 4.071 0.02 1 1563 . 147 ARG CB C 30.740 0.1 1 1564 . 147 ARG HB2 H 1.813 0.02 1 1565 . 147 ARG HB3 H 1.674 0.02 1 1566 . 147 ARG CG C 27.304 0.1 1 1567 . 147 ARG HG2 H 1.788 0.02 1 1568 . 147 ARG HG3 H 1.488 0.02 1 1569 . 147 ARG CD C 43.437 0.1 1 1570 . 147 ARG HD2 H 3.276 0.02 1 1571 . 147 ARG HD3 H 3.122 0.02 1 1572 . 147 ARG NE N 85.706 0.1 1 1573 . 147 ARG HE H 7.471 0.02 1 1574 . 147 ARG CZ C 159.417 0.1 1 1575 . 147 ARG C C 174.130 0.1 1 1576 . 148 GLN N N 119.155 0.1 1 1577 . 148 GLN H H 7.918 0.02 1 1578 . 148 GLN CA C 53.610 0.1 1 1579 . 148 GLN HA H 4.961 0.02 1 1580 . 148 GLN CB C 32.325 0.1 1 1581 . 148 GLN HB2 H 1.743 0.02 1 1582 . 148 GLN HB3 H 1.570 0.02 1 1583 . 148 GLN CG C 34.414 0.1 1 1584 . 148 GLN HG2 H 2.475 0.02 1 1585 . 148 GLN HG3 H 2.311 0.02 1 1586 . 148 GLN CD C 181.400 0.1 1 1587 . 148 GLN NE2 N 112.718 0.1 1 1588 . 148 GLN HE21 H 8.114 0.02 1 1589 . 148 GLN HE22 H 7.751 0.02 1 1590 . 148 GLN C C 175.222 0.1 1 1591 . 149 TYR N N 116.564 0.1 1 1592 . 149 TYR H H 8.698 0.02 1 1593 . 149 TYR CA C 55.705 0.1 1 1594 . 149 TYR HA H 4.939 0.02 1 1595 . 149 TYR CB C 41.185 0.1 1 1596 . 149 TYR HB2 H 3.545 0.02 1 1597 . 149 TYR HB3 H 2.530 0.02 1 1598 . 149 TYR CE1 C 116.941 0.1 1 1599 . 149 TYR HE1 H 6.717 0.02 1 1600 . 149 TYR HD1 H 7.201 0.02 1 1601 . 149 TYR C C 174.215 0.1 1 1602 . 150 LEU N N 125.591 0.1 1 1603 . 150 LEU H H 8.194 0.02 1 1604 . 150 LEU CA C 54.900 0.1 1 1605 . 150 LEU HA H 4.535 0.02 1 1606 . 150 LEU CB C 44.264 0.1 1 1607 . 150 LEU HB2 H 1.905 0.02 1 1608 . 150 LEU HB3 H 1.196 0.02 1 1609 . 150 LEU CG C 27.304 0.1 1 1610 . 150 LEU HG H 1.376 0.02 1 1611 . 150 LEU HD1 H 0.775 0.02 1 1612 . 150 LEU HD2 H 0.752 0.02 1 1613 . 150 LEU CD1 C 26.100 0.1 1 1614 . 150 LEU CD2 C 24.296 0.1 1 1615 . 150 LEU C C 175.465 0.1 1 1616 . 151 LEU N N 131.052 0.1 1 1617 . 151 LEU H H 9.274 0.02 1 1618 . 151 LEU CA C 55.800 0.1 1 1619 . 151 LEU HA H 4.793 0.02 1 1620 . 151 LEU CG C 28.671 0.1 1 1621 . 151 LEU HG H 0.522 0.02 1 1622 . 151 LEU HD1 H -0.588 0.02 1 1623 . 151 LEU CD1 C 24.296 0.1 1 1624 . 152 ASP CA C 52.187 0.1 1 1625 . 152 ASP HA H 5.031 0.02 1 1626 . 152 ASP CB C 41.250 0.1 1 1627 . 152 ASP HB2 H 3.004 0.02 1 1628 . 152 ASP HB3 H 2.500 0.02 1 1629 . 155 GLU N N 116.151 0.1 1 1630 . 155 GLU H H 7.834 0.02 1 1631 . 155 GLU CA C 56.000 0.1 1 1632 . 155 GLU HA H 4.749 0.02 1 1633 . 155 GLU CB C 32.000 0.1 1 1634 . 155 GLU HB2 H 2.260 0.02 1 1635 . 155 GLU HB3 H 2.100 0.02 1 1636 . 156 TYR CA C 57.200 0.1 1 1637 . 156 TYR HA H 4.844 0.02 1 1638 . 156 TYR CB C 39.993 0.1 1 1639 . 156 TYR HB2 H 3.825 0.02 1 1640 . 156 TYR HB3 H 3.217 0.02 1 1641 . 156 TYR C C 174.877 0.1 1 1642 . 157 ARG N N 124.768 0.1 1 1643 . 157 ARG H H 8.956 0.02 1 1644 . 157 ARG CA C 59.581 0.1 1 1645 . 157 ARG HA H 3.398 0.02 1 1646 . 157 ARG CB C 31.240 0.1 1 1647 . 157 ARG HB2 H 1.711 0.02 1 1648 . 157 ARG HB3 H 1.934 0.02 1 1649 . 157 ARG HG2 H 1.650 0.02 1 1650 . 157 ARG CD C 42.900 0.1 1 1651 . 157 ARG HD2 H 3.159 0.02 1 1652 . 157 ARG NE N 85.934 0.1 1 1653 . 157 ARG HE H 7.540 0.02 1 1654 . 157 ARG CZ C 159.805 0.1 1 1655 . 157 ARG C C 174.551 0.1 1 1656 . 158 LYS N N 115.156 0.1 1 1657 . 158 LYS H H 7.817 0.02 1 1658 . 158 LYS CA C 53.146 0.1 1 1659 . 158 LYS HA H 5.309 0.02 1 1660 . 158 LYS CB C 34.100 0.1 1 1661 . 158 LYS HB2 H 1.936 0.02 1 1662 . 158 LYS HB3 H 1.563 0.02 1 1663 . 158 LYS CG C 24.023 0.1 1 1664 . 158 LYS HG2 H 1.365 0.02 1 1665 . 158 LYS HG3 H 1.233 0.02 1 1666 . 158 LYS CD C 28.945 0.1 1 1667 . 158 LYS HD2 H 1.614 0.02 1 1668 . 158 LYS CE C 41.797 0.1 1 1669 . 158 LYS HE2 H 2.893 0.02 1 1670 . 158 LYS C C 174.666 0.1 1 1671 . 159 PRO CD C 49.700 0.1 1 1672 . 159 PRO CA C 63.650 0.1 1 1673 . 159 PRO HA H 1.086 0.02 1 1674 . 159 PRO CB C 31.132 0.1 1 1675 . 159 PRO HB2 H 1.479 0.02 1 1676 . 159 PRO HB3 H 1.008 0.02 1 1677 . 159 PRO HD2 H 4.075 0.02 1 1678 . 159 PRO HD3 H 3.382 0.02 1 1679 . 159 PRO C C 177.797 0.1 1 1680 . 160 ILE N N 113.786 0.1 1 1681 . 160 ILE H H 7.007 0.02 1 1682 . 160 ILE CA C 60.830 0.1 1 1683 . 160 ILE HA H 4.172 0.02 1 1684 . 160 ILE CB C 37.752 0.1 1 1685 . 160 ILE HB H 1.662 0.02 1 1686 . 160 ILE HG2 H 0.752 0.02 1 1687 . 160 ILE CG2 C 18.007 0.1 1 1688 . 160 ILE CG1 C 28.970 0.1 1 1689 . 160 ILE HG12 H 1.366 0.02 1 1690 . 160 ILE HG13 H 1.251 0.02 1 1691 . 160 ILE HD1 H 0.759 0.02 1 1692 . 160 ILE CD1 C 13.632 0.1 1 1693 . 160 ILE C C 178.675 0.1 1 1694 . 161 ASP N N 123.886 0.1 1 1695 . 161 ASP H H 8.134 0.02 1 1696 . 161 ASP CA C 57.132 0.1 1 1697 . 161 ASP HA H 4.606 0.02 1 1698 . 161 ASP CB C 41.370 0.1 1 1699 . 161 ASP HB2 H 3.289 0.02 1 1700 . 161 ASP HB3 H 3.139 0.02 1 1701 . 161 ASP C C 178.681 0.1 1 1702 . 162 TRP N N 116.719 0.1 1 1703 . 162 TRP H H 7.602 0.02 1 1704 . 162 TRP CA C 57.065 0.1 1 1705 . 162 TRP HA H 5.326 0.02 1 1706 . 162 TRP CB C 27.098 0.1 1 1707 . 162 TRP HB2 H 3.296 0.02 1 1708 . 162 TRP HB3 H 2.514 0.02 1 1709 . 162 TRP CD1 C 126.967 0.1 1 1710 . 162 TRP CE3 C 119.805 0.1 1 1711 . 162 TRP CE2 C 139.040 0.1 1 1712 . 162 TRP NE1 N 130.194 0.1 1 1713 . 162 TRP HD1 H 6.204 0.02 1 1714 . 162 TRP HE3 H 7.241 0.02 1 1715 . 162 TRP CZ2 C 114.091 0.1 1 1716 . 162 TRP HE1 H 9.595 0.02 1 1717 . 162 TRP CH2 C 123.587 0.1 1 1718 . 162 TRP HZ2 H 7.293 0.02 1 1719 . 162 TRP HH2 H 6.571 0.02 1 1720 . 162 TRP C C 175.806 0.1 1 1721 . 163 GLY N N 108.020 0.1 1 1722 . 163 GLY H H 7.778 0.02 1 1723 . 163 GLY CA C 44.995 0.1 1 1724 . 163 GLY HA2 H 4.568 0.02 1 1725 . 163 GLY HA3 H 3.754 0.02 1 1726 . 163 GLY C C 174.165 0.1 1 1727 . 164 ALA N N 123.991 0.1 1 1728 . 164 ALA H H 7.074 0.02 1 1729 . 164 ALA CA C 51.197 0.1 1 1730 . 164 ALA HA H 4.508 0.02 1 1731 . 164 ALA HB H 0.839 0.02 1 1732 . 164 ALA CB C 22.850 0.1 1 1733 . 164 ALA C C 176.343 0.1 1 1734 . 165 ALA N N 121.635 0.1 1 1735 . 165 ALA H H 8.520 0.02 1 1736 . 165 ALA CA C 51.549 0.1 1 1737 . 165 ALA HA H 4.228 0.02 1 1738 . 165 ALA HB H 1.429 0.02 1 1739 . 165 ALA CB C 19.260 0.1 1 1740 . 165 ALA C C 176.450 0.1 1 1741 . 166 SER N N 113.949 0.1 1 1742 . 166 SER H H 7.623 0.02 1 1743 . 166 SER CA C 55.173 0.1 1 1744 . 166 SER HA H 4.915 0.02 1 1745 . 166 SER CB C 64.900 0.1 1 1746 . 166 SER HB2 H 4.159 0.02 1 1747 . 166 SER HB3 H 3.786 0.02 1 1748 . 166 SER C C 171.806 0.1 1 1749 . 167 PRO CD C 49.726 0.1 1 1750 . 167 PRO CA C 62.800 0.1 1 1751 . 167 PRO HA H 4.600 0.02 1 1752 . 167 PRO CB C 30.450 0.1 1 1753 . 167 PRO HB2 H 1.656 0.02 1 1754 . 167 PRO HB3 H 1.196 0.02 1 1755 . 167 PRO CG C 26.730 0.1 1 1756 . 167 PRO HG2 H 1.643 0.02 1 1757 . 167 PRO HD2 H 3.663 0.02 1 1758 . 167 PRO C C 174.338 0.1 1 1759 . 168 ALA N N 123.367 0.1 1 1760 . 168 ALA H H 7.417 0.02 1 1761 . 168 ALA CA C 53.504 0.1 1 1762 . 168 ALA HA H 4.510 0.02 1 1763 . 168 ALA HB H 1.456 0.02 1 1764 . 168 ALA CB C 18.105 0.1 1 1765 . 168 ALA C C 176.000 0.1 1 1766 . 169 VAL N N 126.184 0.1 1 1767 . 169 VAL H H 7.304 0.02 1 1768 . 169 VAL CA C 62.130 0.1 1 1769 . 169 VAL HA H 4.464 0.02 1 1770 . 169 VAL CB C 35.507 0.1 1 1771 . 169 VAL HB H 1.634 0.02 1 1772 . 169 VAL HG1 H 0.814 0.02 1 1773 . 169 VAL HG2 H 0.498 0.02 1 1774 . 169 VAL CG1 C 21.835 0.1 1 1775 . 169 VAL CG2 C 20.900 0.1 1 1776 . 169 VAL C C 175.551 0.1 1 1777 . 170 GLN N N 118.814 0.1 1 1778 . 170 GLN H H 8.492 0.02 1 1779 . 170 GLN CA C 55.470 0.1 1 1780 . 170 GLN HA H 4.759 0.02 1 1781 . 170 GLN CB C 33.724 0.1 1 1782 . 170 GLN HB2 H 2.349 0.02 1 1783 . 170 GLN HB3 H 1.470 0.02 1 1784 . 170 GLN CG C 36.328 0.1 1 1785 . 170 GLN HG2 H 2.525 0.02 1 1786 . 170 GLN HG3 H 2.342 0.02 1 1787 . 170 GLN CD C 180.520 0.1 1 1788 . 170 GLN NE2 N 114.092 0.1 1 1789 . 170 GLN HE21 H 7.625 0.02 1 1790 . 170 GLN HE22 H 7.011 0.02 1 1791 . 170 GLN C C 175.416 0.1 1 1792 . 171 SER N N 112.048 0.1 1 1793 . 171 SER H H 8.340 0.02 1 1794 . 171 SER CA C 59.000 0.1 1 1795 . 171 SER HA H 4.568 0.02 1 1796 . 171 SER CB C 65.804 0.1 1 1797 . 171 SER HB2 H 4.203 0.02 1 1798 . 171 SER C C 172.780 0.1 1 1799 . 172 PHE N N 111.822 0.1 1 1800 . 172 PHE H H 8.896 0.02 1 1801 . 172 PHE CA C 56.800 0.1 1 1802 . 172 PHE HA H 6.390 0.02 1 1803 . 172 PHE CB C 43.318 0.1 1 1804 . 172 PHE HB2 H 3.719 0.02 1 1805 . 172 PHE HB3 H 3.583 0.02 1 1806 . 172 PHE CD1 C 132.366 0.1 1 1807 . 172 PHE CE1 C 131.117 0.1 1 1808 . 172 PHE HD1 H 6.983 0.02 1 1809 . 172 PHE HE1 H 7.256 0.02 1 1810 . 172 PHE C C 174.174 0.1 1 1811 . 173 ARG N N 116.161 0.1 1 1812 . 173 ARG H H 9.508 0.02 1 1813 . 173 ARG CA C 54.505 0.1 1 1814 . 173 ARG HA H 5.276 0.02 1 1815 . 173 ARG CB C 34.009 0.1 1 1816 . 173 ARG HB2 H 1.732 0.02 1 1817 . 173 ARG CG C 26.030 0.1 1 1818 . 173 ARG HG2 H 1.548 0.02 1 1819 . 173 ARG HG3 H 1.299 0.02 1 1820 . 173 ARG CD C 43.164 0.1 1 1821 . 173 ARG HD2 H 2.415 0.02 1 1822 . 173 ARG HD3 H 2.190 0.02 1 1823 . 173 ARG NE N 84.316 0.1 1 1824 . 173 ARG HE H 6.678 0.02 1 1825 . 173 ARG CZ C 159.400 0.1 1 1826 . 173 ARG C C 173.784 0.1 1 1827 . 174 ARG N N 121.943 0.1 1 1828 . 174 ARG H H 8.482 0.02 1 1829 . 174 ARG CA C 54.728 0.1 1 1830 . 174 ARG HA H 3.599 0.02 1 1831 . 174 ARG CB C 30.030 0.1 1 1832 . 174 ARG HB2 H 0.854 0.02 1 1833 . 174 ARG HB3 H 0.218 0.02 1 1834 . 174 ARG NE N 85.756 0.1 1 1835 . 174 ARG HE H 6.783 0.02 1 1836 . 174 ARG CZ C 159.955 0.1 1 1837 . 174 ARG C C 177.453 0.1 1 1838 . 175 ILE N N 121.412 0.1 1 1839 . 175 ILE H H 7.806 0.02 1 1840 . 175 ILE CA C 62.000 0.1 1 1841 . 175 ILE HA H 4.079 0.02 1 1842 . 175 ILE CB C 36.139 0.1 1 1843 . 175 ILE HB H 1.656 0.02 1 1844 . 175 ILE HG2 H 0.775 0.02 1 1845 . 175 ILE CG2 C 18.007 0.1 1 1846 . 175 ILE CG1 C 27.000 0.1 1 1847 . 175 ILE HG12 H 1.377 0.02 1 1848 . 175 ILE HG13 H 0.890 0.02 1 1849 . 175 ILE HD1 H 0.674 0.02 1 1850 . 175 ILE CD1 C 13.800 0.1 1 1851 . 175 ILE C C 174.548 0.1 1 1852 . 176 VAL N N 124.225 0.1 1 1853 . 176 VAL H H 7.947 0.02 1 1854 . 176 VAL CA C 60.499 0.1 1 1855 . 176 VAL HA H 4.241 0.02 1 1856 . 176 VAL CB C 33.745 0.1 1 1857 . 176 VAL HB H 2.008 0.02 1 1858 . 176 VAL HG1 H 0.591 0.02 1 1859 . 176 VAL HG2 H 0.541 0.02 1 1860 . 176 VAL CG1 C 19.101 0.1 1 1861 . 176 VAL CG2 C 21.000 0.1 1 1862 . 176 VAL C C 174.652 0.1 1 1863 . 177 GLU N N 127.974 0.1 1 1864 . 177 GLU H H 7.852 0.02 1 1865 . 177 GLU CA C 57.753 0.1 1 1866 . 177 GLU HA H 4.094 0.02 1 1867 . 177 GLU CB C 31.620 0.1 1 1868 . 177 GLU HB2 H 1.964 0.02 1 1869 . 177 GLU HB3 H 1.852 0.02 1 1870 . 177 GLU CG C 36.601 0.1 1 1871 . 177 GLU HG2 H 2.141 0.02 1 1872 . 177 GLU CD C 184.493 0.1 1 1873 . 177 GLU C C 174.660 0.1 1 stop_ save_