data_6310 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C ans 15N assigned chemical shifts and secondary structures for hPPIL1 (peptidylprolyl isomerase -like 1) ; _BMRB_accession_number 6310 _BMRB_flat_file_name bmr6310.str _Entry_type original _Submission_date 2004-08-30 _Accession_date 2004-08-31 _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 Xu Chao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 738 "13C chemical shifts" 615 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-18 original author . stop_ _Original_release_date 2005-03-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone and side chain assignments of human Peptidylprolyl Isomerase Like 1 (hPPIL1) ; _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 Xu Chao . . 2 Xu Yingqi . . 3 Tang Yajun . . 4 Wu Jihui . . 5 Shi Yunyu . . 6 Huang Qiuhua . . 7 Zhang Qinghua . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 179 _Page_last 180 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_hPPIL1_monomer _Saveframe_category molecular_system _Mol_system_name 'hPPIL1 monomer' _Abbreviation_common 'hPPIL1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hPPIL1 monomer' $hPPIL1_monomer 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_hPPIL1_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Homo sapiens peptidylprolyl isomerase (cyclophilin)-like 1' _Abbreviation_common PPIL1 _Molecular_mass . _Mol_thiol_state 'all free' _Details ; The monomer protein has 174 amino acids and the last 8 aa belong to his-tag. The protein coded by PPIL1 gene has 166 amino acids. The assignments ended at the 167th LEU, Which is the first aa of the his tag. ; ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MAAIPPDSWQPPNVYLETSM GIIVLELYWKHAPKTCKNFA ELARRGYYNGTKFHRIIKDF MIQGGDPTGTGRGGASIYGK QFEDELHPDLKFTGAGILAM ANAGPDTNGSQFFVTLAPTQ WLDGKHTIFGRVCQGIGMVN RVGMVETNSQDRPVDDVKII KAYPSGLHHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 ILE 5 PRO 6 PRO 7 ASP 8 SER 9 TRP 10 GLN 11 PRO 12 PRO 13 ASN 14 VAL 15 TYR 16 LEU 17 GLU 18 THR 19 SER 20 MET 21 GLY 22 ILE 23 ILE 24 VAL 25 LEU 26 GLU 27 LEU 28 TYR 29 TRP 30 LYS 31 HIS 32 ALA 33 PRO 34 LYS 35 THR 36 CYS 37 LYS 38 ASN 39 PHE 40 ALA 41 GLU 42 LEU 43 ALA 44 ARG 45 ARG 46 GLY 47 TYR 48 TYR 49 ASN 50 GLY 51 THR 52 LYS 53 PHE 54 HIS 55 ARG 56 ILE 57 ILE 58 LYS 59 ASP 60 PHE 61 MET 62 ILE 63 GLN 64 GLY 65 GLY 66 ASP 67 PRO 68 THR 69 GLY 70 THR 71 GLY 72 ARG 73 GLY 74 GLY 75 ALA 76 SER 77 ILE 78 TYR 79 GLY 80 LYS 81 GLN 82 PHE 83 GLU 84 ASP 85 GLU 86 LEU 87 HIS 88 PRO 89 ASP 90 LEU 91 LYS 92 PHE 93 THR 94 GLY 95 ALA 96 GLY 97 ILE 98 LEU 99 ALA 100 MET 101 ALA 102 ASN 103 ALA 104 GLY 105 PRO 106 ASP 107 THR 108 ASN 109 GLY 110 SER 111 GLN 112 PHE 113 PHE 114 VAL 115 THR 116 LEU 117 ALA 118 PRO 119 THR 120 GLN 121 TRP 122 LEU 123 ASP 124 GLY 125 LYS 126 HIS 127 THR 128 ILE 129 PHE 130 GLY 131 ARG 132 VAL 133 CYS 134 GLN 135 GLY 136 ILE 137 GLY 138 MET 139 VAL 140 ASN 141 ARG 142 VAL 143 GLY 144 MET 145 VAL 146 GLU 147 THR 148 ASN 149 SER 150 GLN 151 ASP 152 ARG 153 PRO 154 VAL 155 ASP 156 ASP 157 VAL 158 LYS 159 ILE 160 ILE 161 LYS 162 ALA 163 TYR 164 PRO 165 SER 166 GLY 167 LEU 168 HIS 169 HIS 170 HIS 171 HIS 172 HIS 173 HIS 174 HIS 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 15922 PPIL1/SKIP 95.40 203 100.00 100.00 2.96e-119 PDB 1XWN "Solution Structure Of Cyclophilin Like 1(Ppil1) And Insights Into Its Interaction With Skip" 100.00 174 99.43 99.43 8.06e-126 PDB 2K7N "Solution Structure Of The Ppil1 Bound To A Fragment Of Skip" 95.40 203 100.00 100.00 2.96e-119 PDB 2X7K "The Crystal Structure Of Ppil1 In Complex With Cyclosporine A Suggests A Binding Mode For Skip" 95.40 166 100.00 100.00 9.93e-120 DBJ BAB23265 "unnamed protein product [Mus musculus]" 95.40 166 98.19 100.00 8.65e-119 DBJ BAE00661 "unnamed protein product [Macaca fascicularis]" 88.51 156 99.35 100.00 3.75e-110 DBJ BAE29731 "unnamed protein product [Mus musculus]" 95.40 166 98.19 100.00 8.65e-119 DBJ BAE30513 "unnamed protein product [Mus musculus]" 95.40 166 98.19 100.00 8.65e-119 DBJ BAE33862 "unnamed protein product [Mus musculus]" 95.40 166 98.19 100.00 5.23e-119 GB AAD34119 "CGI-124 protein [Homo sapiens]" 95.40 166 100.00 100.00 9.93e-120 GB AAH03048 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Homo sapiens]" 95.40 166 100.00 100.00 9.93e-120 GB AAH58369 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Mus musculus]" 95.40 166 98.19 100.00 8.65e-119 GB AAH99188 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Rattus norvegicus]" 95.40 166 98.80 100.00 6.37e-119 GB AAI02397 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Bos taurus]" 95.40 166 100.00 100.00 9.93e-120 REF NP_001014869 "peptidyl-prolyl cis-trans isomerase-like 1 [Bos taurus]" 95.40 166 100.00 100.00 9.93e-120 REF NP_001029360 "peptidyl-prolyl cis-trans isomerase-like 1 [Rattus norvegicus]" 95.40 166 98.80 100.00 6.37e-119 REF NP_001233365 "peptidyl-prolyl cis-trans isomerase-like 1 [Pan troglodytes]" 95.40 166 100.00 100.00 9.93e-120 REF NP_001271748 "uncharacterized protein LOC101866933 [Macaca fascicularis]" 88.51 156 99.35 100.00 3.75e-110 REF NP_057143 "peptidyl-prolyl cis-trans isomerase-like 1 [Homo sapiens]" 95.40 166 100.00 100.00 9.93e-120 SP Q5E992 "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1 [Bos taurus]" 95.40 166 100.00 100.00 9.93e-120 SP Q9D0W5 "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1 [Mus musculus]" 95.40 166 98.19 100.00 8.65e-119 SP Q9Y3C6 "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1 [Homo sapiens]" 95.40 166 100.00 100.00 9.93e-120 TPG DAA16620 "TPA: peptidylprolyl isomerase-like 1 [Bos taurus]" 95.40 166 100.00 100.00 9.93e-120 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hPPIL1_monomer 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_name $hPPIL1_monomer '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 $hPPIL1_monomer 0.5 mM . NaCl 50 mM . 'phosphate buffer' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.8 0.2 n/a temperature 295 1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label H2O C 13 protons ppm . external indirect . . . . $entry_citation $entry_citation H2O H 1 protons ppm . internal direct . . . 1.0 $entry_citation $entry_citation H2O N 15 protons ppm . external indirect . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'hPPIL1 monomer' _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 . 7 ASP CA C 56.833 0.100 . 2 . 7 ASP CB C 39.817 0.100 . 3 . 7 ASP C C 175.725 0.500 . 4 . 8 SER CA C 58.529 0.060 . 5 . 8 SER CB C 62.865 0.111 . 6 . 8 SER C C 174.046 0.100 . 7 . 8 SER HA H 3.977 0.012 . 8 . 8 SER HB2 H 3.709 0.004 . 9 . 8 SER H H 7.528 0.004 . 10 . 8 SER N N 109.878 0.017 . 11 . 9 TRP CA C 58.470 0.085 . 12 . 9 TRP CB C 27.114 0.074 . 13 . 9 TRP C C 172.059 0.037 . 14 . 9 TRP HA H 4.280 0.010 . 15 . 9 TRP HB2 H 3.502 0.006 . 16 . 9 TRP HB3 H 2.755 0.017 . 17 . 9 TRP H H 7.476 0.008 . 18 . 9 TRP N N 126.438 0.056 . 19 . 10 GLN CA C 51.555 0.100 . 20 . 10 GLN CB C 28.085 0.100 . 21 . 10 GLN C C 171.531 0.100 . 22 . 10 GLN H H 7.387 0.006 . 23 . 10 GLN N N 123.151 0.058 . 24 . 12 PRO CA C 65.123 0.143 . 25 . 12 PRO CB C 32.971 0.081 . 26 . 12 PRO C C 177.148 0.026 . 27 . 12 PRO HA H 4.396 0.008 . 28 . 12 PRO HB2 H 2.382 0.019 . 29 . 12 PRO HB3 H 1.943 0.008 . 30 . 13 ASN CA C 51.400 0.101 . 31 . 13 ASN CB C 44.354 0.025 . 32 . 13 ASN C C 174.178 0.030 . 33 . 13 ASN HA H 6.054 0.010 . 34 . 13 ASN HB2 H 2.264 0.011 . 35 . 13 ASN HB3 H 2.171 0.013 . 36 . 13 ASN HD21 H 6.803 0.003 . 37 . 13 ASN HD22 H 7.473 0.001 . 38 . 13 ASN H H 7.718 0.009 . 39 . 13 ASN N N 110.639 0.046 . 40 . 13 ASN ND2 N 109.889 0.042 . 41 . 14 VAL CA C 61.785 0.111 . 42 . 14 VAL CB C 36.874 0.129 . 43 . 14 VAL CG1 C 22.418 0.100 . 44 . 14 VAL CG2 C 20.466 0.100 . 45 . 14 VAL C C 173.077 0.053 . 46 . 14 VAL HA H 4.387 0.011 . 47 . 14 VAL HB H 1.531 0.022 . 48 . 14 VAL HG1 H 0.839 0.007 . 49 . 14 VAL HG2 H 0.534 0.007 . 50 . 14 VAL H H 7.967 0.014 . 51 . 14 VAL N N 116.943 0.054 . 52 . 15 TYR CA C 57.195 0.136 . 53 . 15 TYR CB C 39.846 0.136 . 54 . 15 TYR C C 174.108 0.017 . 55 . 15 TYR HA H 4.318 0.012 . 56 . 15 TYR HB2 H 2.045 0.015 . 57 . 15 TYR HB3 H 1.787 0.021 . 58 . 15 TYR HD1 H 6.609 0.016 . 59 . 15 TYR HE1 H 6.776 0.005 . 60 . 15 TYR H H 8.835 0.011 . 61 . 15 TYR N N 128.133 0.067 . 62 . 16 LEU CA C 52.970 0.222 . 63 . 16 LEU CB C 43.320 0.067 . 64 . 16 LEU CD1 C 23.720 0.100 . 65 . 16 LEU CD2 C 22.132 0.100 . 66 . 16 LEU CG C 25.368 0.100 . 67 . 16 LEU C C 175.196 0.038 . 68 . 16 LEU HA H 4.740 0.016 . 69 . 16 LEU HB2 H 2.045 0.015 . 70 . 16 LEU HB3 H 1.028 0.016 . 71 . 16 LEU HD1 H 0.723 0.006 . 72 . 16 LEU HD2 H 0.614 0.007 . 73 . 16 LEU HG H 1.452 0.012 . 74 . 16 LEU H H 9.127 0.013 . 75 . 16 LEU N N 119.210 0.047 . 76 . 17 GLU CA C 56.461 0.040 . 77 . 17 GLU CB C 28.578 0.097 . 78 . 17 GLU CG C 36.204 0.100 . 79 . 17 GLU C C 175.856 0.032 . 80 . 17 GLU HA H 4.519 0.014 . 81 . 17 GLU HB2 H 2.145 0.017 . 82 . 17 GLU HG2 H 2.280 0.015 . 83 . 17 GLU H H 9.371 0.016 . 84 . 17 GLU N N 124.078 0.063 . 85 . 18 THR CA C 60.596 0.068 . 86 . 18 THR CB C 73.229 0.066 . 87 . 18 THR CG2 C 21.608 0.100 . 88 . 18 THR C C 176.935 0.017 . 89 . 18 THR HA H 5.731 0.012 . 90 . 18 THR HB H 4.501 0.011 . 91 . 18 THR HG2 H 1.241 0.014 . 92 . 18 THR H H 8.023 0.013 . 93 . 18 THR N N 115.483 0.053 . 94 . 19 SER CA C 60.980 0.173 . 95 . 19 SER CB C 63.068 0.069 . 96 . 19 SER C C 174.095 0.100 . 97 . 19 SER HA H 4.238 0.010 . 98 . 19 SER HB2 H 3.917 0.024 . 99 . 19 SER H H 9.470 0.009 . 100 . 19 SER N N 115.877 0.039 . 101 . 20 MET CA C 55.266 0.125 . 102 . 20 MET CB C 34.265 0.073 . 103 . 20 MET CE C 17.065 0.005 . 104 . 20 MET CG C 33.382 0.037 . 105 . 20 MET C C 174.103 0.037 . 106 . 20 MET HA H 4.569 0.009 . 107 . 20 MET HB2 H 2.283 0.011 . 108 . 20 MET HB3 H 1.360 0.008 . 109 . 20 MET HE H 1.887 0.009 . 110 . 20 MET HG2 H 2.421 0.013 . 111 . 20 MET H H 8.188 0.007 . 112 . 20 MET N N 118.755 0.074 . 113 . 21 GLY CA C 43.971 0.083 . 114 . 21 GLY C C 174.785 0.023 . 115 . 21 GLY HA2 H 3.830 0.012 . 116 . 21 GLY H H 7.144 0.009 . 117 . 21 GLY N N 106.311 0.039 . 118 . 22 ILE CA C 61.800 0.154 . 119 . 22 ILE CB C 39.044 0.108 . 120 . 22 ILE CD1 C 13.180 0.100 . 121 . 22 ILE CG1 C 29.358 0.100 . 122 . 22 ILE CG2 C 23.399 0.100 . 123 . 22 ILE C C 174.635 0.012 . 124 . 22 ILE HA H 4.798 0.013 . 125 . 22 ILE HB H 1.725 0.016 . 126 . 22 ILE HD1 H 0.904 0.010 . 127 . 22 ILE HG12 H 1.761 0.010 . 128 . 22 ILE HG13 H 1.031 0.013 . 129 . 22 ILE HG2 H 0.768 0.008 . 130 . 22 ILE H H 8.719 0.006 . 131 . 22 ILE N N 123.358 0.073 . 132 . 23 ILE CA C 60.276 0.130 . 133 . 23 ILE CB C 42.339 0.056 . 134 . 23 ILE CD1 C 13.763 0.100 . 135 . 23 ILE CG1 C 27.308 0.100 . 136 . 23 ILE CG2 C 17.959 0.045 . 137 . 23 ILE C C 173.706 0.030 . 138 . 23 ILE HA H 4.306 0.006 . 139 . 23 ILE HB H 1.583 0.015 . 140 . 23 ILE HD1 H 0.589 0.003 . 141 . 23 ILE HG12 H 0.859 0.011 . 142 . 23 ILE HG13 H 0.952 0.100 . 143 . 23 ILE HG2 H 0.696 0.007 . 144 . 23 ILE H H 8.909 0.015 . 145 . 23 ILE N N 127.663 0.075 . 146 . 24 VAL CA C 61.231 0.158 . 147 . 24 VAL CB C 32.350 0.068 . 148 . 24 VAL CG1 C 21.218 0.100 . 149 . 24 VAL CG2 C 21.342 0.100 . 150 . 24 VAL C C 174.545 0.034 . 151 . 24 VAL HA H 4.282 0.009 . 152 . 24 VAL HB H 1.709 0.015 . 153 . 24 VAL HG1 H 0.388 0.019 . 154 . 24 VAL HG2 H 0.175 0.023 . 155 . 24 VAL H H 8.606 0.010 . 156 . 24 VAL N N 125.404 0.049 . 157 . 25 LEU CA C 52.468 0.161 . 158 . 25 LEU CB C 42.887 0.100 . 159 . 25 LEU CD1 C 25.783 0.032 . 160 . 25 LEU CD2 C 24.118 0.017 . 161 . 25 LEU CG C 26.812 0.049 . 162 . 25 LEU C C 176.220 0.017 . 163 . 25 LEU HA H 4.898 0.016 . 164 . 25 LEU HB2 H 1.576 0.010 . 165 . 25 LEU HB3 H 0.837 0.002 . 166 . 25 LEU HD1 H 0.515 0.013 . 167 . 25 LEU HD2 H 0.442 0.011 . 168 . 25 LEU HG H 1.417 0.020 . 169 . 25 LEU H H 8.968 0.017 . 170 . 25 LEU N N 127.423 0.061 . 171 . 26 GLU CA C 54.621 0.098 . 172 . 26 GLU CB C 32.281 0.096 . 173 . 26 GLU CG C 36.304 0.059 . 174 . 26 GLU C C 174.181 0.024 . 175 . 26 GLU HA H 4.800 0.009 . 176 . 26 GLU HB2 H 1.914 0.008 . 177 . 26 GLU HB3 H 1.808 0.004 . 178 . 26 GLU HG2 H 2.198 0.008 . 179 . 26 GLU HG3 H 1.924 0.001 . 180 . 26 GLU H H 9.269 0.015 . 181 . 26 GLU N N 125.117 0.133 . 182 . 27 LEU CA C 53.845 0.230 . 183 . 27 LEU CB C 42.287 0.055 . 184 . 27 LEU CD1 C 23.244 0.013 . 185 . 27 LEU CD2 C 25.550 0.083 . 186 . 27 LEU CG C 27.765 0.100 . 187 . 27 LEU C C 177.247 0.037 . 188 . 27 LEU HA H 4.457 0.015 . 189 . 27 LEU HB2 H 1.447 0.010 . 190 . 27 LEU HB3 H 1.242 0.229 . 191 . 27 LEU HD1 H 0.488 0.007 . 192 . 27 LEU HD2 H 0.756 0.010 . 193 . 27 LEU HG H 1.387 0.011 . 194 . 27 LEU H H 7.434 0.012 . 195 . 27 LEU N N 122.907 0.056 . 196 . 28 TYR CA C 51.976 0.099 . 197 . 28 TYR CB C 35.077 0.078 . 198 . 28 TYR C C 176.156 0.029 . 199 . 28 TYR HA H 5.254 0.017 . 200 . 28 TYR HB2 H 3.287 0.010 . 201 . 28 TYR HB3 H 2.441 0.018 . 202 . 28 TYR H H 8.458 0.011 . 203 . 28 TYR N N 125.525 0.089 . 204 . 29 TRP CA C 61.333 0.105 . 205 . 29 TRP CB C 30.309 0.033 . 206 . 29 TRP C C 178.103 0.014 . 207 . 29 TRP HA H 3.907 0.010 . 208 . 29 TRP HB2 H 3.205 0.022 . 209 . 29 TRP HB3 H 2.902 0.011 . 210 . 29 TRP HE1 H 10.041 0.001 . 211 . 29 TRP H H 7.324 0.009 . 212 . 29 TRP N N 123.674 0.042 . 213 . 29 TRP NE1 N 130.849 0.034 . 214 . 30 LYS CA C 57.654 0.123 . 215 . 30 LYS CB C 31.445 0.113 . 216 . 30 LYS CD C 27.259 0.100 . 217 . 30 LYS CE C 41.825 0.089 . 218 . 30 LYS CG C 24.996 0.100 . 219 . 30 LYS C C 177.661 0.010 . 220 . 30 LYS HA H 4.029 0.009 . 221 . 30 LYS HB2 H 1.605 0.012 . 222 . 30 LYS HB3 H 1.475 0.014 . 223 . 30 LYS HD2 H 1.759 0.197 . 224 . 30 LYS HE2 H 2.802 0.007 . 225 . 30 LYS HG2 H 1.309 0.010 . 226 . 30 LYS HG3 H 1.158 0.009 . 227 . 30 LYS H H 8.743 0.004 . 228 . 30 LYS N N 114.543 0.046 . 229 . 31 HIS CA C 59.054 0.174 . 230 . 31 HIS CB C 33.363 0.014 . 231 . 31 HIS C C 174.653 0.009 . 232 . 31 HIS HA H 4.219 0.013 . 233 . 31 HIS HB2 H 2.790 0.013 . 234 . 31 HIS HB3 H 2.572 0.024 . 235 . 31 HIS H H 7.132 0.013 . 236 . 31 HIS N N 116.326 0.049 . 237 . 32 ALA CA C 50.153 0.100 . 238 . 32 ALA CB C 19.130 0.100 . 239 . 32 ALA C C 173.636 0.100 . 240 . 32 ALA HA H 3.856 0.007 . 241 . 32 ALA HB H 1.301 0.009 . 242 . 32 ALA H H 7.729 0.009 . 243 . 32 ALA N N 118.636 0.071 . 244 . 33 PRO CA C 66.739 0.088 . 245 . 33 PRO CB C 31.781 0.100 . 246 . 33 PRO CD C 50.684 0.056 . 247 . 33 PRO CG C 27.376 0.055 . 248 . 33 PRO C C 180.734 0.010 . 249 . 33 PRO HA H 4.384 0.014 . 250 . 33 PRO HB2 H 2.184 0.019 . 251 . 33 PRO HD2 H 3.690 0.010 . 252 . 33 PRO HD3 H 3.585 0.070 . 253 . 33 PRO HG2 H 1.910 0.017 . 254 . 34 LYS CA C 60.051 0.119 . 255 . 34 LYS CB C 32.189 0.026 . 256 . 34 LYS CD C 26.358 0.008 . 257 . 34 LYS CE C 41.247 0.022 . 258 . 34 LYS CG C 26.146 0.008 . 259 . 34 LYS C C 181.624 0.015 . 260 . 34 LYS HA H 3.995 0.009 . 261 . 34 LYS HB2 H 1.772 0.014 . 262 . 34 LYS HB3 H 1.427 0.013 . 263 . 34 LYS HD2 H 1.383 0.010 . 264 . 34 LYS HE2 H 2.331 0.006 . 265 . 34 LYS HG2 H 1.108 0.003 . 266 . 34 LYS HG3 H 1.356 0.003 . 267 . 34 LYS H H 10.416 0.012 . 268 . 34 LYS N N 124.413 0.047 . 269 . 35 THR CA C 67.081 0.752 . 270 . 35 THR CB C 67.966 0.100 . 271 . 35 THR CG2 C 22.620 0.100 . 272 . 35 THR C C 178.224 0.100 . 273 . 35 THR HA H 3.903 0.013 . 274 . 35 THR HB H 3.951 0.006 . 275 . 35 THR HG2 H 0.277 0.009 . 276 . 35 THR H H 10.042 0.014 . 277 . 35 THR N N 123.650 0.043 . 278 . 36 CYS CA C 65.636 0.006 . 279 . 36 CYS CB C 24.347 0.113 . 280 . 36 CYS C C 175.037 0.004 . 281 . 36 CYS HA H 3.504 0.017 . 282 . 36 CYS HB2 H 2.877 0.025 . 283 . 36 CYS H H 8.649 0.017 . 284 . 36 CYS N N 123.970 0.060 . 285 . 37 LYS CA C 61.135 0.071 . 286 . 37 LYS CB C 31.312 0.095 . 287 . 37 LYS CE C 42.559 0.100 . 288 . 37 LYS C C 177.424 0.033 . 289 . 37 LYS HA H 4.103 0.017 . 290 . 37 LYS HB2 H 1.757 0.007 . 291 . 37 LYS HB3 H 1.628 0.010 . 292 . 37 LYS HE2 H 3.098 0.010 . 293 . 37 LYS H H 8.045 0.013 . 294 . 37 LYS N N 120.088 0.033 . 295 . 38 ASN CA C 56.950 0.069 . 296 . 38 ASN CB C 40.471 0.114 . 297 . 38 ASN C C 174.668 0.027 . 298 . 38 ASN HA H 3.948 0.016 . 299 . 38 ASN HB2 H 2.202 0.019 . 300 . 38 ASN H H 7.224 0.009 . 301 . 38 ASN N N 114.139 0.054 . 302 . 39 PHE CA C 61.566 0.159 . 303 . 39 PHE CB C 41.586 0.137 . 304 . 39 PHE C C 178.689 0.018 . 305 . 39 PHE HA H 4.316 0.013 . 306 . 39 PHE HB2 H 3.474 0.013 . 307 . 39 PHE HB3 H 2.604 0.027 . 308 . 39 PHE HD1 H 6.466 0.017 . 309 . 39 PHE HE1 H 6.774 0.021 . 310 . 39 PHE H H 7.715 0.008 . 311 . 39 PHE N N 118.266 0.088 . 312 . 40 ALA CA C 55.743 0.063 . 313 . 40 ALA CB C 18.730 0.050 . 314 . 40 ALA C C 179.621 0.023 . 315 . 40 ALA HA H 3.837 0.017 . 316 . 40 ALA HB H 1.485 0.008 . 317 . 40 ALA H H 9.120 0.013 . 318 . 40 ALA N N 121.238 0.058 . 319 . 41 GLU CA C 58.124 0.070 . 320 . 41 GLU CB C 28.510 0.046 . 321 . 41 GLU CG C 36.105 0.100 . 322 . 41 GLU C C 178.587 0.009 . 323 . 41 GLU HA H 5.021 0.016 . 324 . 41 GLU HB2 H 2.017 0.019 . 325 . 41 GLU HG2 H 2.332 0.001 . 326 . 41 GLU H H 8.892 0.014 . 327 . 41 GLU N N 120.394 0.046 . 328 . 42 LEU CA C 58.614 0.149 . 329 . 42 LEU CB C 40.969 0.147 . 330 . 42 LEU CD1 C 25.953 0.016 . 331 . 42 LEU CD2 C 21.334 0.012 . 332 . 42 LEU CG C 27.113 0.100 . 333 . 42 LEU C C 179.744 0.027 . 334 . 42 LEU HA H 3.570 0.019 . 335 . 42 LEU HB2 H 1.603 0.008 . 336 . 42 LEU HD1 H 0.573 0.020 . 337 . 42 LEU HD2 H -0.200 0.003 . 338 . 42 LEU HG H 0.612 0.015 . 339 . 42 LEU H H 8.727 0.013 . 340 . 42 LEU N N 121.441 0.059 . 341 . 43 ALA CA C 53.986 0.042 . 342 . 43 ALA CB C 20.383 0.044 . 343 . 43 ALA C C 177.135 0.023 . 344 . 43 ALA HA H 3.504 0.008 . 345 . 43 ALA HB H 0.905 0.009 . 346 . 43 ALA H H 7.783 0.007 . 347 . 43 ALA N N 113.227 0.070 . 348 . 44 ARG CA C 59.791 0.119 . 349 . 44 ARG CB C 30.729 0.044 . 350 . 44 ARG C C 178.115 0.012 . 351 . 44 ARG HA H 3.948 0.005 . 352 . 44 ARG HB2 H 1.926 0.001 . 353 . 44 ARG H H 8.483 0.009 . 354 . 44 ARG N N 125.118 0.096 . 355 . 45 ARG CA C 57.614 0.091 . 356 . 45 ARG CB C 31.593 0.077 . 357 . 45 ARG CD C 41.901 0.100 . 358 . 45 ARG CG C 24.294 0.100 . 359 . 45 ARG C C 176.745 0.019 . 360 . 45 ARG HA H 4.059 0.011 . 361 . 45 ARG HB2 H 1.770 0.010 . 362 . 45 ARG HB3 H 2.027 0.010 . 363 . 45 ARG HD2 H 2.896 0.008 . 364 . 45 ARG HG2 H 1.299 0.010 . 365 . 45 ARG H H 8.497 0.007 . 366 . 45 ARG N N 115.881 0.025 . 367 . 46 GLY CA C 45.664 0.099 . 368 . 46 GLY C C 176.491 0.033 . 369 . 46 GLY HA2 H 4.313 0.010 . 370 . 46 GLY HA3 H 3.944 0.008 . 371 . 46 GLY H H 8.057 0.011 . 372 . 46 GLY N N 107.843 0.044 . 373 . 47 TYR CA C 60.928 0.113 . 374 . 47 TYR CB C 41.322 0.066 . 375 . 47 TYR C C 175.549 0.014 . 376 . 47 TYR HA H 3.859 0.014 . 377 . 47 TYR HB2 H 2.638 0.016 . 378 . 47 TYR HB3 H 2.034 0.017 . 379 . 47 TYR H H 7.886 0.006 . 380 . 47 TYR N N 121.963 0.076 . 381 . 48 TYR CA C 55.817 0.037 . 382 . 48 TYR CB C 37.942 0.017 . 383 . 48 TYR C C 177.608 0.041 . 384 . 48 TYR HA H 4.710 0.026 . 385 . 48 TYR HB2 H 3.079 0.019 . 386 . 48 TYR HB3 H 2.647 0.015 . 387 . 48 TYR H H 7.778 0.008 . 388 . 48 TYR N N 108.639 0.070 . 389 . 49 ASN CA C 54.986 0.086 . 390 . 49 ASN CB C 36.214 0.057 . 391 . 49 ASN C C 176.172 0.017 . 392 . 49 ASN HA H 4.035 0.013 . 393 . 49 ASN HB2 H 3.115 0.007 . 394 . 49 ASN HB3 H 2.842 0.005 . 395 . 49 ASN H H 7.689 0.006 . 396 . 49 ASN N N 124.809 0.066 . 397 . 50 GLY CA C 45.907 0.106 . 398 . 50 GLY C C 174.974 0.019 . 399 . 50 GLY HA2 H 4.148 0.015 . 400 . 50 GLY HA3 H 3.672 0.014 . 401 . 50 GLY H H 9.118 0.009 . 402 . 50 GLY N N 114.476 0.045 . 403 . 51 THR CA C 61.270 0.063 . 404 . 51 THR CB C 70.969 0.043 . 405 . 51 THR CG2 C 22.357 0.100 . 406 . 51 THR C C 172.534 0.029 . 407 . 51 THR HA H 4.457 0.011 . 408 . 51 THR HB H 4.146 0.015 . 409 . 51 THR HG2 H 1.050 0.014 . 410 . 51 THR H H 7.634 0.010 . 411 . 51 THR N N 109.928 0.033 . 412 . 52 LYS CA C 54.722 0.071 . 413 . 52 LYS CB C 34.877 0.091 . 414 . 52 LYS CD C 29.317 0.100 . 415 . 52 LYS CE C 41.826 0.002 . 416 . 52 LYS CG C 24.740 0.100 . 417 . 52 LYS C C 178.335 0.012 . 418 . 52 LYS HA H 5.056 0.013 . 419 . 52 LYS HB2 H 1.784 0.012 . 420 . 52 LYS HD2 H 1.598 0.010 . 421 . 52 LYS HE2 H 2.792 0.014 . 422 . 52 LYS HG2 H 1.326 0.010 . 423 . 52 LYS H H 9.199 0.010 . 424 . 52 LYS N N 117.377 0.046 . 425 . 53 PHE CA C 58.943 0.100 . 426 . 53 PHE CB C 38.094 0.095 . 427 . 53 PHE C C 175.302 0.029 . 428 . 53 PHE HA H 4.908 0.004 . 429 . 53 PHE HB2 H 2.659 0.012 . 430 . 53 PHE HD1 H 6.809 0.013 . 431 . 53 PHE H H 8.247 0.011 . 432 . 53 PHE N N 121.201 0.084 . 433 . 54 HIS CA C 57.163 0.098 . 434 . 54 HIS CB C 31.776 0.104 . 435 . 54 HIS C C 173.783 0.043 . 436 . 54 HIS HA H 4.479 0.009 . 437 . 54 HIS HB2 H 3.222 0.016 . 438 . 54 HIS HB3 H 2.588 0.025 . 439 . 54 HIS H H 7.763 0.008 . 440 . 54 HIS N N 121.446 0.094 . 441 . 55 ARG CA C 55.054 0.063 . 442 . 55 ARG CB C 33.459 0.049 . 443 . 55 ARG CD C 43.463 0.104 . 444 . 55 ARG CG C 27.784 0.042 . 445 . 55 ARG C C 172.988 0.036 . 446 . 55 ARG HA H 4.781 0.012 . 447 . 55 ARG HB2 H 1.236 0.020 . 448 . 55 ARG HD2 H 2.968 0.015 . 449 . 55 ARG HG2 H 0.980 0.012 . 450 . 55 ARG HG3 H 1.411 0.004 . 451 . 55 ARG H H 6.905 0.009 . 452 . 55 ARG N N 121.765 0.038 . 453 . 56 ILE CA C 61.384 0.180 . 454 . 56 ILE CB C 42.161 0.110 . 455 . 56 ILE CD1 C 14.648 0.015 . 456 . 56 ILE CG1 C 27.750 0.100 . 457 . 56 ILE CG2 C 16.860 0.100 . 458 . 56 ILE C C 173.840 0.021 . 459 . 56 ILE HA H 4.376 0.009 . 460 . 56 ILE HB H 1.300 0.016 . 461 . 56 ILE HD1 H 0.676 0.013 . 462 . 56 ILE HG12 H 1.322 0.011 . 463 . 56 ILE HG13 H 0.811 0.010 . 464 . 56 ILE HG2 H 0.738 0.016 . 465 . 56 ILE H H 8.735 0.011 . 466 . 56 ILE N N 126.801 0.056 . 467 . 57 ILE CA C 60.564 0.114 . 468 . 57 ILE CB C 40.525 0.145 . 469 . 57 ILE CD1 C 14.021 0.100 . 470 . 57 ILE CG1 C 27.620 0.100 . 471 . 57 ILE CG2 C 17.966 0.100 . 472 . 57 ILE C C 174.305 0.051 . 473 . 57 ILE HA H 4.159 0.015 . 474 . 57 ILE HB H 1.605 0.014 . 475 . 57 ILE HD1 H 0.714 0.013 . 476 . 57 ILE HG12 H 1.229 0.009 . 477 . 57 ILE HG13 H 0.930 0.003 . 478 . 57 ILE HG2 H 1.005 0.014 . 479 . 57 ILE H H 8.576 0.014 . 480 . 57 ILE N N 126.146 0.084 . 481 . 58 LYS CA C 58.470 0.031 . 482 . 58 LYS CB C 32.318 0.078 . 483 . 58 LYS CD C 28.982 0.100 . 484 . 58 LYS CE C 41.869 0.139 . 485 . 58 LYS CG C 24.313 0.100 . 486 . 58 LYS C C 175.814 0.100 . 487 . 58 LYS HA H 3.760 0.012 . 488 . 58 LYS HB2 H 1.728 0.012 . 489 . 58 LYS HB3 H 1.605 0.013 . 490 . 58 LYS HD2 H 1.604 0.010 . 491 . 58 LYS HE2 H 2.918 0.011 . 492 . 58 LYS HG2 H 1.333 0.017 . 493 . 58 LYS H H 8.801 0.007 . 494 . 58 LYS N N 129.743 0.064 . 495 . 59 ASP CA C 56.898 0.096 . 496 . 59 ASP CB C 39.623 0.042 . 497 . 59 ASP C C 173.346 0.100 . 498 . 59 ASP HA H 3.961 0.013 . 499 . 59 ASP HB2 H 2.823 0.011 . 500 . 59 ASP H H 8.710 0.008 . 501 . 59 ASP N N 118.062 0.049 . 502 . 60 PHE CA C 57.358 0.100 . 503 . 60 PHE CB C 39.051 0.103 . 504 . 60 PHE C C 174.111 0.049 . 505 . 60 PHE HA H 5.100 0.012 . 506 . 60 PHE HB2 H 3.004 0.021 . 507 . 60 PHE HD1 H 7.132 0.001 . 508 . 60 PHE H H 8.163 0.007 . 509 . 60 PHE N N 114.890 0.072 . 510 . 61 MET CA C 55.298 0.069 . 511 . 61 MET CB C 35.303 0.047 . 512 . 61 MET CG C 28.402 0.100 . 513 . 61 MET CE C 17.059 0.002 . 514 . 61 MET C C 172.343 0.012 . 515 . 61 MET HA H 5.094 0.007 . 516 . 61 MET HB2 H 1.686 0.017 . 517 . 61 MET HE H 1.883 0.010 . 518 . 61 MET HG2 H 1.043 0.009 . 519 . 61 MET HG3 H 0.940 0.007 . 520 . 61 MET H H 8.251 0.014 . 521 . 61 MET N N 114.789 0.136 . 522 . 62 ILE CA C 59.829 0.102 . 523 . 62 ILE CB C 40.502 0.069 . 524 . 62 ILE CG1 C 26.234 0.100 . 525 . 62 ILE CG2 C 17.851 0.011 . 526 . 62 ILE CD1 C 13.801 0.007 . 527 . 62 ILE C C 173.052 0.034 . 528 . 62 ILE HA H 4.512 0.012 . 529 . 62 ILE HB H 1.179 0.013 . 530 . 62 ILE HD1 H 0.155 0.009 . 531 . 62 ILE HG12 H 1.427 0.011 . 532 . 62 ILE HG13 H 0.823 0.017 . 533 . 62 ILE HG2 H 0.418 0.010 . 534 . 62 ILE H H 8.275 0.011 . 535 . 62 ILE N N 114.426 0.101 . 536 . 63 GLN CA C 54.233 0.103 . 537 . 63 GLN CB C 31.957 0.061 . 538 . 63 GLN CG C 33.570 0.127 . 539 . 63 GLN C C 174.373 0.020 . 540 . 63 GLN HA H 5.089 0.011 . 541 . 63 GLN HB2 H 1.840 0.006 . 542 . 63 GLN HB3 H 1.622 0.009 . 543 . 63 GLN HG2 H 2.132 0.007 . 544 . 63 GLN HG3 H 2.349 0.018 . 545 . 63 GLN H H 8.936 0.009 . 546 . 63 GLN N N 125.602 0.049 . 547 . 64 GLY CA C 45.150 0.087 . 548 . 64 GLY C C 173.172 0.035 . 549 . 64 GLY HA2 H 5.011 0.025 . 550 . 64 GLY HA3 H 3.090 0.009 . 551 . 64 GLY H H 7.950 0.009 . 552 . 64 GLY N N 110.505 0.061 . 553 . 65 GLY CA C 46.602 0.110 . 554 . 65 GLY C C 172.852 0.075 . 555 . 65 GLY HA2 H 4.648 0.004 . 556 . 65 GLY HA3 H 3.868 0.016 . 557 . 65 GLY H H 9.644 0.010 . 558 . 65 GLY N N 107.562 0.093 . 559 . 66 ASP CA C 48.904 0.011 . 560 . 66 ASP CB C 42.054 0.100 . 561 . 66 ASP C C 175.992 0.100 . 562 . 66 ASP HA H 5.052 0.014 . 563 . 66 ASP HB2 H 2.843 0.009 . 564 . 66 ASP H H 9.597 0.008 . 565 . 66 ASP N N 121.338 0.050 . 566 . 67 PRO CA C 64.899 0.038 . 567 . 67 PRO CB C 32.063 0.029 . 568 . 67 PRO CD C 50.404 0.084 . 569 . 67 PRO C C 177.625 0.012 . 570 . 67 PRO HA H 4.157 0.015 . 571 . 67 PRO HB2 H 1.913 0.013 . 572 . 67 PRO HB3 H 1.785 0.027 . 573 . 67 PRO HD2 H 3.559 0.010 . 574 . 67 PRO HD3 H 3.689 0.010 . 575 . 67 PRO HG2 H 1.908 0.015 . 576 . 68 THR CA C 62.834 0.046 . 577 . 68 THR CB C 70.772 0.066 . 578 . 68 THR CG2 C 21.630 0.100 . 579 . 68 THR C C 177.136 0.035 . 580 . 68 THR HA H 4.304 0.010 . 581 . 68 THR HB H 4.296 0.008 . 582 . 68 THR HG2 H 1.247 0.012 . 583 . 68 THR H H 8.594 0.008 . 584 . 68 THR N N 108.171 0.059 . 585 . 69 GLY CA C 45.906 0.145 . 586 . 69 GLY C C 173.342 0.043 . 587 . 69 GLY HA2 H 4.025 0.013 . 588 . 69 GLY HA3 H 3.671 0.006 . 589 . 69 GLY H H 7.713 0.007 . 590 . 69 GLY N N 108.069 0.084 . 591 . 70 THR CA C 63.323 0.030 . 592 . 70 THR CB C 71.920 0.036 . 593 . 70 THR CG2 C 21.262 0.100 . 594 . 70 THR C C 176.097 0.022 . 595 . 70 THR HA H 4.093 0.012 . 596 . 70 THR HB H 4.079 0.010 . 597 . 70 THR HG2 H 1.092 0.016 . 598 . 70 THR H H 7.539 0.011 . 599 . 70 THR N N 108.743 0.050 . 600 . 71 GLY CA C 45.324 0.100 . 601 . 71 GLY C C 174.952 0.001 . 602 . 71 GLY HA2 H 4.302 0.016 . 603 . 71 GLY HA3 H 2.889 0.017 . 604 . 71 GLY H H 8.710 0.008 . 605 . 71 GLY N N 111.888 0.034 . 606 . 72 ARG CA C 55.070 0.056 . 607 . 72 ARG CB C 31.387 0.163 . 608 . 72 ARG CD C 43.097 0.100 . 609 . 72 ARG CG C 27.489 0.100 . 610 . 72 ARG C C 176.945 0.017 . 611 . 72 ARG HA H 4.513 0.009 . 612 . 72 ARG HB2 H 1.884 0.013 . 613 . 72 ARG HB3 H 1.484 0.020 . 614 . 72 ARG HD2 H 3.103 0.021 . 615 . 72 ARG HD3 H 3.042 0.001 . 616 . 72 ARG HG2 H 1.607 0.002 . 617 . 72 ARG H H 8.067 0.013 . 618 . 72 ARG N N 120.037 0.051 . 619 . 73 GLY CA C 45.013 0.126 . 620 . 73 GLY C C 174.659 0.004 . 621 . 73 GLY HA2 H 4.576 0.019 . 622 . 73 GLY HA3 H 3.732 0.008 . 623 . 73 GLY H H 8.645 0.009 . 624 . 73 GLY N N 110.457 0.054 . 625 . 74 GLY CA C 44.555 0.136 . 626 . 74 GLY C C 173.543 0.033 . 627 . 74 GLY HA2 H 5.071 0.013 . 628 . 74 GLY HA3 H 3.987 0.017 . 629 . 74 GLY H H 8.347 0.007 . 630 . 74 GLY N N 107.031 0.067 . 631 . 75 ALA CA C 51.214 0.072 . 632 . 75 ALA CB C 22.690 0.094 . 633 . 75 ALA C C 175.147 0.023 . 634 . 75 ALA HA H 4.654 0.008 . 635 . 75 ALA HB H 1.316 0.009 . 636 . 75 ALA H H 7.973 0.007 . 637 . 75 ALA N N 124.302 0.070 . 638 . 76 SER CA C 57.637 0.068 . 639 . 76 SER CB C 68.206 0.062 . 640 . 76 SER C C 176.698 0.065 . 641 . 76 SER HA H 4.675 0.005 . 642 . 76 SER HB2 H 4.330 0.010 . 643 . 76 SER HG H 5.042 0.015 . 644 . 76 SER H H 8.793 0.014 . 645 . 76 SER N N 115.362 0.035 . 646 . 77 ILE CA C 63.294 0.050 . 647 . 77 ILE CB C 38.095 0.079 . 648 . 77 ILE CD1 C 14.211 0.100 . 649 . 77 ILE CG1 C 29.274 0.100 . 650 . 77 ILE CG2 C 16.564 0.100 . 651 . 77 ILE C C 176.227 0.015 . 652 . 77 ILE HA H 3.874 0.018 . 653 . 77 ILE HB H 1.541 0.014 . 654 . 77 ILE HD1 H 0.439 0.011 . 655 . 77 ILE HG12 H -0.199 0.010 . 656 . 77 ILE HG13 H -0.365 0.008 . 657 . 77 ILE HG2 H 0.654 0.010 . 658 . 77 ILE H H 8.792 0.009 . 659 . 77 ILE N N 112.129 0.051 . 660 . 78 TYR CA C 58.248 0.071 . 661 . 78 TYR CB C 38.314 0.031 . 662 . 78 TYR C C 175.676 0.045 . 663 . 78 TYR HA H 4.277 0.018 . 664 . 78 TYR HB2 H 3.333 0.013 . 665 . 78 TYR HB3 H 2.551 0.030 . 666 . 78 TYR HD1 H 6.762 0.017 . 667 . 78 TYR H H 7.609 0.012 . 668 . 78 TYR N N 118.279 0.065 . 669 . 79 GLY CA C 45.459 0.077 . 670 . 79 GLY C C 172.675 0.023 . 671 . 79 GLY HA2 H 3.589 0.020 . 672 . 79 GLY H H 7.387 0.010 . 673 . 79 GLY N N 107.388 0.090 . 674 . 80 LYS CA C 55.797 0.039 . 675 . 80 LYS CB C 33.759 0.072 . 676 . 80 LYS CD C 28.858 0.001 . 677 . 80 LYS CE C 41.875 0.145 . 678 . 80 LYS CG C 23.059 0.100 . 679 . 80 LYS C C 175.820 0.073 . 680 . 80 LYS HA H 4.383 0.014 . 681 . 80 LYS HB2 H 1.963 0.013 . 682 . 80 LYS HB3 H 1.788 0.012 . 683 . 80 LYS HD2 H 1.628 0.010 . 684 . 80 LYS HE2 H 2.921 0.006 . 685 . 80 LYS HG2 H 1.265 0.015 . 686 . 80 LYS H H 7.725 0.009 . 687 . 80 LYS N N 117.363 0.108 . 688 . 81 GLN CA C 55.732 0.065 . 689 . 81 GLN CB C 29.474 0.093 . 690 . 81 GLN CG C 33.592 0.166 . 691 . 81 GLN C C 176.011 0.035 . 692 . 81 GLN HA H 5.084 0.005 . 693 . 81 GLN HB2 H 1.870 0.014 . 694 . 81 GLN HE21 H 6.773 0.008 . 695 . 81 GLN HE22 H 7.316 0.005 . 696 . 81 GLN HG2 H 2.338 0.016 . 697 . 81 GLN HG3 H 2.141 0.020 . 698 . 81 GLN H H 8.412 0.012 . 699 . 81 GLN N N 119.164 0.070 . 700 . 81 GLN NE2 N 110.285 0.186 . 701 . 82 PHE CA C 55.355 0.009 . 702 . 82 PHE CB C 42.025 0.083 . 703 . 82 PHE C C 174.234 0.011 . 704 . 82 PHE HA H 5.105 0.014 . 705 . 82 PHE HB2 H 2.991 0.020 . 706 . 82 PHE HB3 H 2.737 0.024 . 707 . 82 PHE HD1 H 7.229 0.010 . 708 . 82 PHE HE1 H 7.497 0.010 . 709 . 82 PHE H H 8.710 0.009 . 710 . 82 PHE N N 117.977 0.053 . 711 . 83 GLU CA C 57.013 0.101 . 712 . 83 GLU CB C 30.117 0.034 . 713 . 83 GLU CG C 35.990 0.085 . 714 . 83 GLU C C 176.342 0.012 . 715 . 83 GLU HA H 3.913 0.008 . 716 . 83 GLU HB2 H 2.027 0.008 . 717 . 83 GLU HG2 H 2.348 0.013 . 718 . 83 GLU HG3 H 2.199 0.023 . 719 . 83 GLU H H 9.581 0.013 . 720 . 83 GLU N N 120.571 0.043 . 721 . 84 ASP CA C 55.188 0.013 . 722 . 84 ASP CB C 41.454 0.013 . 723 . 84 ASP C C 175.877 0.028 . 724 . 84 ASP HA H 4.205 0.020 . 725 . 84 ASP HB2 H 2.456 0.021 . 726 . 84 ASP H H 8.843 0.011 . 727 . 84 ASP N N 117.866 0.059 . 728 . 85 GLU CA C 55.480 0.030 . 729 . 85 GLU CB C 31.848 0.086 . 730 . 85 GLU CG C 37.514 0.005 . 731 . 85 GLU C C 174.282 0.028 . 732 . 85 GLU HA H 4.551 0.011 . 733 . 85 GLU HB2 H 2.265 0.015 . 734 . 85 GLU HB3 H 2.099 0.025 . 735 . 85 GLU HG2 H 2.404 0.012 . 736 . 85 GLU H H 8.177 0.012 . 737 . 85 GLU N N 123.664 0.079 . 738 . 86 LEU CA C 54.493 0.028 . 739 . 86 LEU CB C 41.414 0.143 . 740 . 86 LEU CD1 C 25.675 0.004 . 741 . 86 LEU CD2 C 21.747 0.037 . 742 . 86 LEU CG C 26.656 0.100 . 743 . 86 LEU C C 176.758 0.009 . 744 . 86 LEU HA H 4.390 0.010 . 745 . 86 LEU HB2 H 1.719 0.014 . 746 . 86 LEU HB3 H 1.346 0.016 . 747 . 86 LEU HD1 H 0.776 0.015 . 748 . 86 LEU HD2 H 0.555 0.009 . 749 . 86 LEU HG H 1.486 0.019 . 750 . 86 LEU H H 8.450 0.007 . 751 . 86 LEU N N 122.029 0.041 . 752 . 87 HIS CA C 55.725 0.100 . 753 . 87 HIS CB C 34.800 0.140 . 754 . 87 HIS C C 175.149 0.100 . 755 . 87 HIS HA H 4.821 0.010 . 756 . 87 HIS HB2 H 3.065 0.013 . 757 . 87 HIS HB3 H 2.891 0.010 . 758 . 87 HIS H H 8.497 0.009 . 759 . 87 HIS N N 124.471 0.106 . 760 . 88 PRO CA C 64.320 0.201 . 761 . 88 PRO CB C 32.402 0.006 . 762 . 88 PRO CD C 50.093 0.100 . 763 . 88 PRO HA H 4.257 0.004 . 764 . 88 PRO HB2 H 2.211 0.010 . 765 . 88 PRO HB3 H 1.869 0.010 . 766 . 89 ASP CA C 54.995 0.104 . 767 . 89 ASP CB C 40.879 0.031 . 768 . 89 ASP C C 176.486 0.048 . 769 . 89 ASP HA H 4.599 0.013 . 770 . 89 ASP HB2 H 2.667 0.007 . 771 . 89 ASP H H 10.317 0.015 . 772 . 89 ASP N N 118.104 0.069 . 773 . 90 LEU CA C 54.347 0.018 . 774 . 90 LEU CB C 41.894 0.091 . 775 . 90 LEU CD1 C 22.169 0.100 . 776 . 90 LEU CD2 C 26.100 0.100 . 777 . 90 LEU CG C 26.587 0.100 . 778 . 90 LEU C C 173.797 0.033 . 779 . 90 LEU HA H 4.421 0.010 . 780 . 90 LEU HB2 H 1.770 0.012 . 781 . 90 LEU HB3 H 0.969 0.019 . 782 . 90 LEU HD1 H 0.031 0.010 . 783 . 90 LEU HD2 H 0.459 0.009 . 784 . 90 LEU HG H 0.980 0.009 . 785 . 90 LEU H H 7.618 0.009 . 786 . 90 LEU N N 121.139 0.033 . 787 . 91 LYS CA C 54.140 0.057 . 788 . 91 LYS CB C 37.290 0.073 . 789 . 91 LYS CD C 28.812 0.100 . 790 . 91 LYS CE C 42.140 0.045 . 791 . 91 LYS CG C 25.550 0.100 . 792 . 91 LYS C C 176.485 0.013 . 793 . 91 LYS HA H 4.369 0.007 . 794 . 91 LYS HB2 H 2.112 0.016 . 795 . 91 LYS HB3 H 1.443 0.016 . 796 . 91 LYS HD2 H 1.730 0.010 . 797 . 91 LYS HE2 H 2.907 0.005 . 798 . 91 LYS HG2 H 1.160 0.010 . 799 . 91 LYS H H 7.766 0.010 . 800 . 91 LYS N N 122.957 0.059 . 801 . 92 PHE CA C 58.997 0.065 . 802 . 92 PHE CB C 37.154 0.077 . 803 . 92 PHE C C 178.055 0.017 . 804 . 92 PHE HA H 4.480 0.007 . 805 . 92 PHE HB2 H 3.088 0.023 . 806 . 92 PHE HB3 H 2.497 0.007 . 807 . 92 PHE H H 10.272 0.011 . 808 . 92 PHE N N 123.572 0.081 . 809 . 93 THR CA C 61.913 0.141 . 810 . 93 THR CB C 69.572 0.091 . 811 . 93 THR CG2 C 21.936 0.100 . 812 . 93 THR C C 175.269 0.041 . 813 . 93 THR HA H 4.079 0.014 . 814 . 93 THR HB H 4.406 0.006 . 815 . 93 THR HG2 H 1.042 0.007 . 816 . 93 THR H H 7.727 0.007 . 817 . 93 THR N N 109.302 0.074 . 818 . 94 GLY CA C 45.129 0.114 . 819 . 94 GLY C C 170.303 0.019 . 820 . 94 GLY HA2 H 3.875 0.016 . 821 . 94 GLY H H 7.200 0.010 . 822 . 94 GLY N N 106.753 0.081 . 823 . 95 ALA CA C 52.407 0.081 . 824 . 95 ALA CB C 19.962 0.092 . 825 . 95 ALA C C 177.943 0.013 . 826 . 95 ALA HA H 3.689 0.011 . 827 . 95 ALA HB H 1.091 0.009 . 828 . 95 ALA H H 8.398 0.005 . 829 . 95 ALA N N 119.218 0.063 . 830 . 96 GLY CA C 45.418 0.074 . 831 . 96 GLY C C 172.490 0.020 . 832 . 96 GLY HA2 H 4.051 0.017 . 833 . 96 GLY HA3 H 3.080 0.007 . 834 . 96 GLY H H 8.753 0.007 . 835 . 96 GLY N N 107.755 0.031 . 836 . 97 ILE CA C 62.311 0.102 . 837 . 97 ILE CB C 37.638 0.091 . 838 . 97 ILE CD1 C 14.282 0.004 . 839 . 97 ILE CG1 C 26.380 0.100 . 840 . 97 ILE CG2 C 19.507 0.100 . 841 . 97 ILE C C 172.737 0.015 . 842 . 97 ILE HA H 3.729 0.010 . 843 . 97 ILE HB H 1.960 0.010 . 844 . 97 ILE HD1 H 1.016 0.009 . 845 . 97 ILE HG12 H 1.423 0.010 . 846 . 97 ILE HG2 H 0.640 0.007 . 847 . 97 ILE H H 7.726 0.006 . 848 . 97 ILE N N 122.055 0.079 . 849 . 98 LEU CA C 53.029 0.137 . 850 . 98 LEU CB C 44.067 0.027 . 851 . 98 LEU CD1 C 22.620 0.100 . 852 . 98 LEU CD2 C 22.573 0.018 . 853 . 98 LEU CG C 25.486 0.041 . 854 . 98 LEU C C 172.929 0.031 . 855 . 98 LEU HA H 4.584 0.016 . 856 . 98 LEU HB2 H 0.457 0.015 . 857 . 98 LEU HB3 H 0.101 0.020 . 858 . 98 LEU HD1 H 0.030 0.009 . 859 . 98 LEU HD2 H -0.802 0.005 . 860 . 98 LEU HG H -0.654 0.008 . 861 . 98 LEU H H 7.457 0.013 . 862 . 98 LEU N N 128.929 0.049 . 863 . 99 ALA CA C 49.804 0.070 . 864 . 99 ALA CB C 24.855 0.044 . 865 . 99 ALA C C 175.920 0.020 . 866 . 99 ALA HA H 5.313 0.012 . 867 . 99 ALA HB H 0.539 0.010 . 868 . 99 ALA H H 8.502 0.014 . 869 . 99 ALA N N 128.480 0.066 . 870 . 100 MET CA C 52.814 0.050 . 871 . 100 MET CB C 31.796 0.100 . 872 . 100 MET CE C 16.291 0.014 . 873 . 100 MET CG C 31.812 0.100 . 874 . 100 MET C C 177.923 0.010 . 875 . 100 MET HA H 5.325 0.009 . 876 . 100 MET HB2 H 2.315 0.010 . 877 . 100 MET HE H 2.030 0.007 . 878 . 100 MET HG2 H 2.044 0.014 . 879 . 100 MET H H 8.101 0.013 . 880 . 100 MET N N 116.120 0.070 . 881 . 101 ALA CA C 51.441 0.082 . 882 . 101 ALA CB C 20.342 0.083 . 883 . 101 ALA C C 175.437 0.043 . 884 . 101 ALA HA H 4.507 0.017 . 885 . 101 ALA HB H 1.300 0.007 . 886 . 101 ALA H H 8.049 0.008 . 887 . 101 ALA N N 125.460 0.054 . 888 . 102 ASN CA C 54.145 0.052 . 889 . 102 ASN CB C 40.569 0.079 . 890 . 102 ASN C C 174.044 0.064 . 891 . 102 ASN HA H 4.583 0.014 . 892 . 102 ASN HB2 H 3.243 0.012 . 893 . 102 ASN HB3 H 2.867 0.006 . 894 . 102 ASN HD21 H 6.639 0.004 . 895 . 102 ASN HD22 H 7.987 0.005 . 896 . 102 ASN H H 8.536 0.006 . 897 . 102 ASN N N 114.060 0.056 . 898 . 102 ASN ND2 N 120.147 0.044 . 899 . 103 ALA CA C 50.318 0.069 . 900 . 103 ALA CB C 19.321 0.054 . 901 . 103 ALA C C 176.911 0.026 . 902 . 103 ALA HA H 4.727 0.018 . 903 . 103 ALA HB H 1.262 0.013 . 904 . 103 ALA H H 8.704 0.009 . 905 . 103 ALA N N 123.368 0.042 . 906 . 104 GLY CA C 43.466 0.063 . 907 . 104 GLY C C 171.738 0.100 . 908 . 104 GLY HA2 H 4.578 0.023 . 909 . 104 GLY HA3 H 3.640 0.009 . 910 . 104 GLY H H 8.025 0.007 . 911 . 104 GLY N N 109.554 0.048 . 912 . 105 PRO CA C 63.968 0.108 . 913 . 105 PRO CB C 31.997 0.114 . 914 . 105 PRO CD C 51.035 0.041 . 915 . 105 PRO C C 175.834 0.039 . 916 . 105 PRO HA H 4.236 0.004 . 917 . 105 PRO HB2 H 2.176 0.017 . 918 . 105 PRO HB3 H 1.686 0.014 . 919 . 105 PRO HD2 H 3.410 0.010 . 920 . 105 PRO HG2 H 2.484 0.012 . 921 . 106 ASP CA C 55.155 0.100 . 922 . 106 ASP CB C 39.377 0.054 . 923 . 106 ASP C C 175.236 0.034 . 924 . 106 ASP HA H 3.929 0.010 . 925 . 106 ASP HB2 H 2.768 0.009 . 926 . 106 ASP HB3 H 2.529 0.016 . 927 . 106 ASP H H 8.442 0.013 . 928 . 106 ASP N N 120.576 0.070 . 929 . 107 THR CA C 59.748 0.116 . 930 . 107 THR CB C 68.875 0.016 . 931 . 107 THR CG2 C 20.920 0.100 . 932 . 107 THR C C 173.765 0.048 . 933 . 107 THR HA H 4.398 0.008 . 934 . 107 THR HB H 4.313 0.014 . 935 . 107 THR HG2 H 0.812 0.009 . 936 . 107 THR H H 9.634 0.007 . 937 . 107 THR N N 109.575 0.062 . 938 . 108 ASN CA C 56.288 0.061 . 939 . 108 ASN CB C 39.487 0.067 . 940 . 108 ASN C C 174.028 0.013 . 941 . 108 ASN HA H 4.057 0.009 . 942 . 108 ASN HB2 H 1.367 0.008 . 943 . 108 ASN HB3 H 0.620 0.016 . 944 . 108 ASN HD21 H 6.436 0.006 . 945 . 108 ASN HD22 H 7.261 0.012 . 946 . 108 ASN H H 7.268 0.010 . 947 . 108 ASN N N 120.551 0.064 . 948 . 108 ASN ND2 N 113.440 0.113 . 949 . 109 GLY CA C 45.719 0.090 . 950 . 109 GLY C C 171.030 0.041 . 951 . 109 GLY HA2 H 4.567 0.013 . 952 . 109 GLY HA3 H 3.572 0.014 . 953 . 109 GLY H H 8.888 0.012 . 954 . 109 GLY N N 110.827 0.078 . 955 . 110 SER CA C 58.381 0.038 . 956 . 110 SER CB C 67.475 0.075 . 957 . 110 SER C C 175.672 0.025 . 958 . 110 SER HA H 4.630 0.010 . 959 . 110 SER HB2 H 4.483 0.010 . 960 . 110 SER H H 9.076 0.012 . 961 . 110 SER N N 119.066 0.057 . 962 . 111 GLN CA C 57.796 0.005 . 963 . 111 GLN CB C 32.576 0.103 . 964 . 111 GLN CG C 35.439 0.100 . 965 . 111 GLN C C 175.156 0.014 . 966 . 111 GLN HA H 5.086 0.011 . 967 . 111 GLN HB2 H 2.045 0.007 . 968 . 111 GLN HG2 H 2.809 0.010 . 969 . 111 GLN H H 8.335 0.008 . 970 . 111 GLN N N 124.533 0.044 . 971 . 112 PHE CA C 55.004 0.100 . 972 . 112 PHE CB C 43.141 0.025 . 973 . 112 PHE C C 171.741 0.053 . 974 . 112 PHE HA H 5.789 0.008 . 975 . 112 PHE HB2 H 3.032 0.030 . 976 . 112 PHE H H 8.129 0.014 . 977 . 112 PHE N N 117.907 0.137 . 978 . 113 PHE CA C 54.969 0.135 . 979 . 113 PHE CB C 44.175 0.095 . 980 . 113 PHE C C 172.234 0.036 . 981 . 113 PHE HA H 5.663 0.027 . 982 . 113 PHE HB2 H 2.832 0.022 . 983 . 113 PHE HB3 H 2.487 0.021 . 984 . 113 PHE HD1 H 6.446 0.011 . 985 . 113 PHE H H 9.620 0.013 . 986 . 113 PHE N N 115.815 0.047 . 987 . 114 VAL CA C 59.228 0.086 . 988 . 114 VAL CB C 34.562 0.061 . 989 . 114 VAL CG1 C 22.058 0.100 . 990 . 114 VAL CG2 C 20.728 0.100 . 991 . 114 VAL C C 177.182 0.029 . 992 . 114 VAL HA H 5.283 0.014 . 993 . 114 VAL HB H 1.542 0.015 . 994 . 114 VAL HG1 H 0.634 0.008 . 995 . 114 VAL HG2 H 0.647 0.006 . 996 . 114 VAL H H 8.710 0.013 . 997 . 114 VAL N N 117.330 0.079 . 998 . 115 THR CA C 62.039 0.117 . 999 . 115 THR CB C 71.591 0.014 . 1000 . 115 THR CG2 C 24.241 0.100 . 1001 . 115 THR C C 176.344 0.036 . 1002 . 115 THR HA H 4.640 0.016 . 1003 . 115 THR HB H 4.805 0.014 . 1004 . 115 THR HG2 H 1.474 0.008 . 1005 . 115 THR H H 8.966 0.015 . 1006 . 115 THR N N 116.368 0.041 . 1007 . 116 LEU CA C 53.671 0.144 . 1008 . 116 LEU CB C 43.023 0.022 . 1009 . 116 LEU CD1 C 26.187 0.028 . 1010 . 116 LEU CD2 C 23.572 0.010 . 1011 . 116 LEU CG C 27.135 0.100 . 1012 . 116 LEU C C 175.537 0.008 . 1013 . 116 LEU HA H 4.498 0.016 . 1014 . 116 LEU HB2 H 1.730 0.010 . 1015 . 116 LEU HB3 H 1.131 0.009 . 1016 . 116 LEU HD1 H 0.825 0.014 . 1017 . 116 LEU HD2 H 0.701 0.009 . 1018 . 116 LEU HG H 1.178 0.012 . 1019 . 116 LEU H H 8.102 0.010 . 1020 . 116 LEU N N 118.460 0.082 . 1021 . 117 ALA CA C 50.647 0.099 . 1022 . 117 ALA CB C 19.767 0.100 . 1023 . 117 ALA C C 172.610 0.100 . 1024 . 117 ALA HA H 4.449 0.018 . 1025 . 117 ALA HB H 1.312 0.013 . 1026 . 117 ALA H H 7.951 0.010 . 1027 . 117 ALA N N 123.170 0.057 . 1028 . 118 PRO CA C 63.996 0.094 . 1029 . 118 PRO CB C 31.487 0.022 . 1030 . 118 PRO C C 176.314 0.020 . 1031 . 118 PRO HA H 4.005 0.010 . 1032 . 118 PRO HB2 H 2.143 0.015 . 1033 . 119 THR CA C 57.355 0.136 . 1034 . 119 THR CB C 69.995 0.087 . 1035 . 119 THR CG2 C 20.030 0.100 . 1036 . 119 THR C C 177.135 0.041 . 1037 . 119 THR HA H 3.534 0.011 . 1038 . 119 THR HB H 2.680 0.013 . 1039 . 119 THR HG2 H 0.909 0.011 . 1040 . 119 THR H H 7.582 0.009 . 1041 . 119 THR N N 115.939 0.048 . 1042 . 120 GLN CA C 60.055 0.089 . 1043 . 120 GLN CB C 29.012 0.108 . 1044 . 120 GLN CG C 35.760 0.070 . 1045 . 120 GLN C C 176.981 0.028 . 1046 . 120 GLN HA H 4.099 0.012 . 1047 . 120 GLN HB2 H 2.240 0.011 . 1048 . 120 GLN HB3 H 1.994 0.014 . 1049 . 120 GLN HE21 H 8.307 0.005 . 1050 . 120 GLN HE22 H 6.936 0.004 . 1051 . 120 GLN HG2 H 2.505 0.016 . 1052 . 120 GLN HG3 H 2.379 0.012 . 1053 . 120 GLN H H 9.335 0.011 . 1054 . 120 GLN N N 123.571 0.038 . 1055 . 120 GLN NE2 N 111.990 0.187 . 1056 . 121 TRP CA C 59.934 0.099 . 1057 . 121 TRP CB C 26.949 0.032 . 1058 . 121 TRP C C 176.787 0.038 . 1059 . 121 TRP HA H 4.604 0.013 . 1060 . 121 TRP HB2 H 3.264 0.015 . 1061 . 121 TRP HD1 H 7.040 0.002 . 1062 . 121 TRP HE1 H 9.562 0.002 . 1063 . 121 TRP H H 7.228 0.012 . 1064 . 121 TRP N N 117.154 0.053 . 1065 . 121 TRP NE1 N 130.294 0.046 . 1066 . 122 LEU CA C 54.317 0.154 . 1067 . 122 LEU CB C 42.355 0.078 . 1068 . 122 LEU CD1 C 21.856 0.038 . 1069 . 122 LEU CD2 C 24.860 0.030 . 1070 . 122 LEU CG C 25.297 0.102 . 1071 . 122 LEU C C 176.606 0.049 . 1072 . 122 LEU HA H 4.241 0.012 . 1073 . 122 LEU HB2 H 1.201 0.018 . 1074 . 122 LEU HB3 H 0.819 0.013 . 1075 . 122 LEU HD1 H 0.775 0.013 . 1076 . 122 LEU HD2 H 0.092 0.013 . 1077 . 122 LEU HG H 0.357 0.013 . 1078 . 122 LEU H H 7.414 0.006 . 1079 . 122 LEU N N 120.698 0.041 . 1080 . 123 ASP CA C 57.113 0.143 . 1081 . 123 ASP CB C 40.294 0.058 . 1082 . 123 ASP C C 178.604 0.028 . 1083 . 123 ASP HA H 4.759 0.008 . 1084 . 123 ASP HB2 H 2.829 0.012 . 1085 . 123 ASP HB3 H 2.640 0.011 . 1086 . 123 ASP H H 7.694 0.010 . 1087 . 123 ASP N N 121.449 0.078 . 1088 . 124 GLY CA C 45.694 0.141 . 1089 . 124 GLY C C 174.677 0.020 . 1090 . 124 GLY HA2 H 4.207 0.019 . 1091 . 124 GLY HA3 H 3.801 0.014 . 1092 . 124 GLY H H 9.418 0.015 . 1093 . 124 GLY N N 111.674 0.044 . 1094 . 125 LYS CA C 56.240 0.071 . 1095 . 125 LYS CB C 34.630 0.028 . 1096 . 125 LYS CD C 29.164 0.100 . 1097 . 125 LYS CE C 42.482 0.100 . 1098 . 125 LYS CG C 25.382 0.100 . 1099 . 125 LYS C C 175.745 0.030 . 1100 . 125 LYS HA H 4.368 0.006 . 1101 . 125 LYS HB2 H 1.880 0.020 . 1102 . 125 LYS HB3 H 1.723 0.012 . 1103 . 125 LYS HD2 H 1.273 0.024 . 1104 . 125 LYS HE2 H 2.975 0.017 . 1105 . 125 LYS HG2 H 1.170 0.010 . 1106 . 125 LYS H H 8.343 0.006 . 1107 . 125 LYS N N 115.620 0.049 . 1108 . 126 HIS CA C 54.332 0.018 . 1109 . 126 HIS CB C 34.127 0.067 . 1110 . 126 HIS C C 173.954 0.046 . 1111 . 126 HIS HA H 4.598 0.008 . 1112 . 126 HIS HB2 H 3.563 0.022 . 1113 . 126 HIS HB3 H 2.913 0.027 . 1114 . 126 HIS HD2 H 6.061 0.007 . 1115 . 126 HIS H H 7.042 0.012 . 1116 . 126 HIS N N 114.499 0.060 . 1117 . 127 THR CA C 64.406 0.202 . 1118 . 127 THR CB C 70.313 0.074 . 1119 . 127 THR C C 174.436 0.021 . 1120 . 127 THR HA H 3.819 0.012 . 1121 . 127 THR HB H 3.882 0.016 . 1122 . 127 THR HG2 H 1.442 0.008 . 1123 . 127 THR H H 9.675 0.009 . 1124 . 127 THR N N 121.601 0.061 . 1125 . 128 ILE CA C 61.893 0.150 . 1126 . 128 ILE CB C 38.895 0.145 . 1127 . 128 ILE CD1 C 11.599 0.002 . 1128 . 128 ILE CG1 C 29.480 0.029 . 1129 . 128 ILE CG2 C 17.763 0.100 . 1130 . 128 ILE C C 175.622 0.023 . 1131 . 128 ILE HA H 4.106 0.016 . 1132 . 128 ILE HB H 1.312 0.012 . 1133 . 128 ILE HD1 H -0.412 0.006 . 1134 . 128 ILE HG12 H 1.278 0.014 . 1135 . 128 ILE HG13 H -0.155 0.018 . 1136 . 128 ILE HG2 H 0.777 0.008 . 1137 . 128 ILE H H 8.426 0.007 . 1138 . 128 ILE N N 131.845 0.083 . 1139 . 129 PHE CA C 55.066 0.114 . 1140 . 129 PHE CB C 39.695 0.097 . 1141 . 129 PHE C C 171.226 0.055 . 1142 . 129 PHE HA H 4.982 0.024 . 1143 . 129 PHE HB2 H 3.368 0.031 . 1144 . 129 PHE HB3 H 2.201 0.015 . 1145 . 129 PHE H H 8.523 0.006 . 1146 . 129 PHE N N 120.438 0.057 . 1147 . 130 GLY CA C 46.070 0.099 . 1148 . 130 GLY C C 170.859 0.044 . 1149 . 130 GLY HA2 H 3.454 0.021 . 1150 . 130 GLY HA3 H 1.989 0.025 . 1151 . 130 GLY H H 6.932 0.014 . 1152 . 130 GLY N N 109.837 0.049 . 1153 . 131 ARG CA C 54.016 0.103 . 1154 . 131 ARG CB C 32.980 0.048 . 1155 . 131 ARG CD C 43.289 0.100 . 1156 . 131 ARG CG C 27.750 0.100 . 1157 . 131 ARG C C 174.875 0.033 . 1158 . 131 ARG HA H 4.986 0.013 . 1159 . 131 ARG HB2 H 1.725 0.006 . 1160 . 131 ARG HB3 H 1.528 0.007 . 1161 . 131 ARG HD2 H 2.905 0.004 . 1162 . 131 ARG HG2 H 1.601 0.010 . 1163 . 131 ARG H H 8.035 0.010 . 1164 . 131 ARG N N 113.407 0.076 . 1165 . 132 VAL CA C 63.127 0.103 . 1166 . 132 VAL CB C 32.014 0.028 . 1167 . 132 VAL CG1 C 21.561 0.100 . 1168 . 132 VAL CG2 C 22.778 0.100 . 1169 . 132 VAL C C 175.657 0.028 . 1170 . 132 VAL HA H 4.015 0.013 . 1171 . 132 VAL HB H 1.848 0.012 . 1172 . 132 VAL HG1 H 0.639 0.009 . 1173 . 132 VAL HG2 H 0.669 0.008 . 1174 . 132 VAL H H 9.076 0.014 . 1175 . 132 VAL N N 122.133 0.059 . 1176 . 133 CYS CA C 56.635 0.056 . 1177 . 133 CYS CB C 29.782 0.010 . 1178 . 133 CYS C C 173.884 0.067 . 1179 . 133 CYS HA H 4.907 0.009 . 1180 . 133 CYS HB2 H 3.177 0.014 . 1181 . 133 CYS HB3 H 2.424 0.009 . 1182 . 133 CYS H H 9.266 0.010 . 1183 . 133 CYS N N 125.728 0.062 . 1184 . 134 GLN CA C 56.843 0.100 . 1185 . 134 GLN CB C 32.107 0.050 . 1186 . 134 GLN CG C 34.162 0.003 . 1187 . 134 GLN C C 174.644 0.100 . 1188 . 134 GLN HA H 4.540 0.006 . 1189 . 134 GLN HB2 H 1.848 0.002 . 1190 . 134 GLN HE21 H 7.541 0.006 . 1191 . 134 GLN HE22 H 6.841 0.005 . 1192 . 134 GLN HG2 H 2.307 0.016 . 1193 . 134 GLN H H 7.709 0.009 . 1194 . 134 GLN N N 123.460 0.048 . 1195 . 134 GLN NE2 N 111.232 0.191 . 1196 . 135 GLY CA C 45.934 0.147 . 1197 . 135 GLY C C 176.657 0.100 . 1198 . 135 GLY HA2 H 4.729 0.011 . 1199 . 136 ILE CA C 61.648 0.129 . 1200 . 136 ILE CB C 37.672 0.152 . 1201 . 136 ILE CD1 C 12.924 0.107 . 1202 . 136 ILE CG1 C 28.365 0.027 . 1203 . 136 ILE CG2 C 18.851 0.111 . 1204 . 136 ILE C C 176.308 0.025 . 1205 . 136 ILE HA H 3.879 0.012 . 1206 . 136 ILE HB H 1.739 0.010 . 1207 . 136 ILE HD1 H 0.652 0.012 . 1208 . 136 ILE HG12 H 1.275 0.011 . 1209 . 136 ILE HG2 H 0.834 0.010 . 1210 . 136 ILE H H 8.724 0.013 . 1211 . 136 ILE N N 123.553 0.112 . 1212 . 137 GLY CA C 46.757 0.120 . 1213 . 137 GLY C C 176.755 0.014 . 1214 . 137 GLY HA2 H 3.809 0.019 . 1215 . 137 GLY H H 8.900 0.014 . 1216 . 137 GLY N N 109.528 0.090 . 1217 . 138 MET CA C 58.096 0.083 . 1218 . 138 MET CB C 31.352 0.114 . 1219 . 138 MET CE C 18.692 0.050 . 1220 . 138 MET CG C 33.433 0.030 . 1221 . 138 MET C C 178.105 0.013 . 1222 . 138 MET HA H 4.159 0.013 . 1223 . 138 MET HB2 H 2.259 0.010 . 1224 . 138 MET HB3 H 1.755 0.014 . 1225 . 138 MET HE H 1.985 0.013 . 1226 . 138 MET HG2 H 2.451 0.009 . 1227 . 138 MET HG3 H 2.635 0.007 . 1228 . 138 MET H H 7.494 0.009 . 1229 . 138 MET N N 121.474 0.099 . 1230 . 139 VAL CA C 66.590 0.101 . 1231 . 139 VAL CB C 31.048 0.105 . 1232 . 139 VAL CG1 C 24.186 0.100 . 1233 . 139 VAL CG2 C 21.503 0.100 . 1234 . 139 VAL C C 177.042 0.024 . 1235 . 139 VAL HA H 3.065 0.013 . 1236 . 139 VAL HB H 2.305 0.010 . 1237 . 139 VAL HG1 H 0.877 0.009 . 1238 . 139 VAL HG2 H 0.624 0.011 . 1239 . 139 VAL H H 7.549 0.010 . 1240 . 139 VAL N N 120.242 0.044 . 1241 . 140 ASN CA C 56.151 0.075 . 1242 . 140 ASN CB C 38.206 0.091 . 1243 . 140 ASN C C 177.758 0.041 . 1244 . 140 ASN HA H 4.241 0.011 . 1245 . 140 ASN HB2 H 2.667 0.018 . 1246 . 140 ASN HD21 H 7.379 0.010 . 1247 . 140 ASN HD22 H 6.617 0.006 . 1248 . 140 ASN H H 8.102 0.010 . 1249 . 140 ASN N N 115.670 0.053 . 1250 . 140 ASN ND2 N 110.129 0.225 . 1251 . 141 ARG CA C 59.359 0.158 . 1252 . 141 ARG CB C 30.299 0.071 . 1253 . 141 ARG CD C 43.543 0.020 . 1254 . 141 ARG CG C 27.816 0.100 . 1255 . 141 ARG C C 179.986 0.017 . 1256 . 141 ARG HA H 3.959 0.011 . 1257 . 141 ARG HB2 H 1.902 0.015 . 1258 . 141 ARG HB3 H 1.830 0.022 . 1259 . 141 ARG HD2 H 3.136 0.006 . 1260 . 141 ARG HG2 H 1.799 0.009 . 1261 . 141 ARG HG3 H 1.578 0.012 . 1262 . 141 ARG H H 7.383 0.009 . 1263 . 141 ARG N N 118.680 0.034 . 1264 . 142 VAL CA C 66.235 0.156 . 1265 . 142 VAL CB C 31.145 0.110 . 1266 . 142 VAL CG1 C 22.676 0.068 . 1267 . 142 VAL CG2 C 23.193 0.035 . 1268 . 142 VAL C C 176.617 0.010 . 1269 . 142 VAL HA H 3.474 0.013 . 1270 . 142 VAL HB H 1.998 0.013 . 1271 . 142 VAL HG1 H 0.839 0.011 . 1272 . 142 VAL HG2 H 0.531 0.007 . 1273 . 142 VAL H H 8.242 0.010 . 1274 . 142 VAL N N 123.124 0.055 . 1275 . 143 GLY CA C 46.762 0.129 . 1276 . 143 GLY C C 173.452 0.033 . 1277 . 143 GLY HA2 H 3.516 0.009 . 1278 . 143 GLY H H 7.868 0.011 . 1279 . 143 GLY N N 101.199 0.067 . 1280 . 144 MET CA C 54.564 0.103 . 1281 . 144 MET CB C 33.797 0.231 . 1282 . 144 MET CG C 32.098 0.054 . 1283 . 144 MET C C 177.103 0.010 . 1284 . 144 MET HA H 4.480 0.013 . 1285 . 144 MET HB2 H 2.262 0.022 . 1286 . 144 MET HB3 H 1.930 0.008 . 1287 . 144 MET HE H 1.990 0.005 . 1288 . 144 MET HG2 H 2.659 0.008 . 1289 . 144 MET HG3 H 2.528 0.011 . 1290 . 144 MET H H 7.080 0.007 . 1291 . 144 MET N N 115.414 0.041 . 1292 . 145 VAL CA C 62.354 0.136 . 1293 . 145 VAL CB C 32.886 0.107 . 1294 . 145 VAL CG1 C 21.407 0.100 . 1295 . 145 VAL CG2 C 18.462 0.080 . 1296 . 145 VAL C C 175.214 0.032 . 1297 . 145 VAL HA H 4.028 0.019 . 1298 . 145 VAL HB H 2.341 0.011 . 1299 . 145 VAL HG1 H 1.090 0.012 . 1300 . 145 VAL HG2 H 0.936 0.010 . 1301 . 145 VAL H H 7.254 0.011 . 1302 . 145 VAL N N 116.155 0.046 . 1303 . 146 GLU CA C 57.212 0.148 . 1304 . 146 GLU CB C 29.863 0.048 . 1305 . 146 GLU CG C 36.181 0.178 . 1306 . 146 GLU C C 177.816 0.010 . 1307 . 146 GLU HA H 4.188 0.010 . 1308 . 146 GLU HB2 H 1.958 0.012 . 1309 . 146 GLU HB3 H 1.873 0.017 . 1310 . 146 GLU HG2 H 2.352 0.012 . 1311 . 146 GLU HG3 H 2.136 0.010 . 1312 . 146 GLU H H 8.395 0.008 . 1313 . 146 GLU N N 121.164 0.053 . 1314 . 147 THR CA C 59.128 0.126 . 1315 . 147 THR CB C 72.491 0.118 . 1316 . 147 THR CG2 C 21.243 0.100 . 1317 . 147 THR C C 174.698 0.007 . 1318 . 147 THR HA H 4.993 0.006 . 1319 . 147 THR HB H 3.888 0.013 . 1320 . 147 THR HG2 H 0.951 0.009 . 1321 . 147 THR H H 8.561 0.011 . 1322 . 147 THR N N 116.335 0.074 . 1323 . 148 ASN CA C 50.344 0.100 . 1324 . 148 ASN CB C 39.124 0.100 . 1325 . 148 ASN HA H 4.813 0.010 . 1326 . 148 ASN HB2 H 2.778 0.010 . 1327 . 148 ASN H H 8.460 0.008 . 1328 . 148 ASN N N 118.651 0.033 . 1329 . 149 SER CA C 61.047 0.106 . 1330 . 149 SER CB C 62.959 0.164 . 1331 . 149 SER C C 175.132 0.100 . 1332 . 149 SER HA H 4.232 0.012 . 1333 . 149 SER HB2 H 3.933 0.010 . 1334 . 150 GLN CA C 55.319 0.072 . 1335 . 150 GLN CB C 28.757 0.057 . 1336 . 150 GLN CG C 34.400 0.183 . 1337 . 150 GLN C C 175.169 0.021 . 1338 . 150 GLN HA H 4.444 0.009 . 1339 . 150 GLN HB2 H 2.379 0.010 . 1340 . 150 GLN HB3 H 1.892 0.018 . 1341 . 150 GLN HE21 H 7.539 0.003 . 1342 . 150 GLN HE22 H 6.819 0.006 . 1343 . 150 GLN HG2 H 2.252 0.021 . 1344 . 150 GLN H H 7.754 0.008 . 1345 . 150 GLN N N 119.997 0.068 . 1346 . 150 GLN NE2 N 112.547 0.157 . 1347 . 151 ASP CA C 56.554 0.259 . 1348 . 151 ASP CB C 39.480 0.077 . 1349 . 151 ASP C C 172.579 0.037 . 1350 . 151 ASP HA H 4.283 0.012 . 1351 . 151 ASP HB2 H 2.969 0.014 . 1352 . 151 ASP H H 8.361 0.012 . 1353 . 151 ASP N N 113.614 0.066 . 1354 . 152 ARG CA C 52.503 0.100 . 1355 . 152 ARG CB C 31.818 0.100 . 1356 . 152 ARG C C 175.125 0.100 . 1357 . 152 ARG H H 7.673 0.012 . 1358 . 152 ARG N N 118.655 0.040 . 1359 . 152 ARG CD C 43.582 0.030 . 1360 . 152 ARG HA H 4.886 0.013 . 1361 . 152 ARG HB2 H 1.638 0.013 . 1362 . 152 ARG HB3 H 1.730 0.014 . 1363 . 152 ARG HD2 H 3.249 0.013 . 1364 . 153 PRO CA C 63.261 0.159 . 1365 . 153 PRO CB C 32.258 0.092 . 1366 . 153 PRO C C 177.305 0.016 . 1367 . 153 PRO HA H 4.546 0.011 . 1368 . 153 PRO HB2 H 2.227 0.006 . 1369 . 154 VAL CA C 65.799 0.068 . 1370 . 154 VAL CB C 31.714 0.091 . 1371 . 154 VAL CG1 C 21.203 0.100 . 1372 . 154 VAL CG2 C 21.022 0.100 . 1373 . 154 VAL C C 176.022 0.018 . 1374 . 154 VAL HA H 3.573 0.007 . 1375 . 154 VAL HB H 1.857 0.008 . 1376 . 154 VAL HG1 H 0.799 0.015 . 1377 . 154 VAL HG2 H 0.756 0.010 . 1378 . 154 VAL H H 8.200 0.010 . 1379 . 154 VAL N N 125.501 0.056 . 1380 . 155 ASP CA C 52.410 0.070 . 1381 . 155 ASP CB C 42.405 0.051 . 1382 . 155 ASP C C 174.884 0.027 . 1383 . 155 ASP HA H 4.821 0.007 . 1384 . 155 ASP HB2 H 2.517 0.009 . 1385 . 155 ASP HB3 H 2.387 0.011 . 1386 . 155 ASP H H 8.150 0.010 . 1387 . 155 ASP N N 120.032 0.034 . 1388 . 156 ASP CA C 55.007 0.131 . 1389 . 156 ASP CB C 41.415 0.161 . 1390 . 156 ASP C C 176.442 0.013 . 1391 . 156 ASP HA H 4.283 0.009 . 1392 . 156 ASP HB2 H 2.494 0.010 . 1393 . 156 ASP HB3 H 2.128 0.008 . 1394 . 156 ASP H H 8.373 0.007 . 1395 . 156 ASP N N 120.226 0.035 . 1396 . 157 VAL CA C 62.285 0.092 . 1397 . 157 VAL CB C 32.662 0.072 . 1398 . 157 VAL CG1 C 21.848 0.100 . 1399 . 157 VAL CG2 C 21.050 0.100 . 1400 . 157 VAL C C 174.814 0.024 . 1401 . 157 VAL HA H 3.997 0.009 . 1402 . 157 VAL HB H 2.153 0.012 . 1403 . 157 VAL HG1 H 1.076 0.009 . 1404 . 157 VAL HG2 H 0.986 0.015 . 1405 . 157 VAL H H 9.403 0.008 . 1406 . 157 VAL N N 124.889 0.050 . 1407 . 158 LYS CA C 54.917 0.114 . 1408 . 158 LYS CB C 36.096 0.115 . 1409 . 158 LYS CD C 29.375 0.100 . 1410 . 158 LYS CE C 41.765 0.100 . 1411 . 158 LYS CG C 25.332 0.100 . 1412 . 158 LYS C C 176.714 0.006 . 1413 . 158 LYS HA H 4.874 0.007 . 1414 . 158 LYS HB2 H 1.492 0.013 . 1415 . 158 LYS HB3 H 1.408 0.025 . 1416 . 158 LYS HD2 H 1.494 0.001 . 1417 . 158 LYS HE2 H 2.771 0.004 . 1418 . 158 LYS HG2 H 1.086 0.019 . 1419 . 158 LYS HG3 H 1.160 0.013 . 1420 . 158 LYS H H 8.185 0.013 . 1421 . 158 LYS N N 123.727 0.067 . 1422 . 159 ILE CA C 62.954 0.054 . 1423 . 159 ILE CB C 37.455 0.045 . 1424 . 159 ILE CD1 C 13.637 0.031 . 1425 . 159 ILE CG1 C 28.695 0.100 . 1426 . 159 ILE CG2 C 18.333 0.100 . 1427 . 159 ILE C C 174.728 0.041 . 1428 . 159 ILE HA H 3.690 0.010 . 1429 . 159 ILE HB H 1.865 0.012 . 1430 . 159 ILE HD1 H 0.492 0.014 . 1431 . 159 ILE HG12 H 1.201 0.028 . 1432 . 159 ILE HG2 H 0.506 0.007 . 1433 . 159 ILE H H 8.917 0.014 . 1434 . 159 ILE N N 121.749 0.074 . 1435 . 160 ILE CA C 63.690 0.223 . 1436 . 160 ILE CB C 37.810 0.173 . 1437 . 160 ILE CD1 C 12.395 0.100 . 1438 . 160 ILE CG1 C 28.529 0.166 . 1439 . 160 ILE CG2 C 17.440 0.100 . 1440 . 160 ILE C C 177.449 0.007 . 1441 . 160 ILE HA H 3.731 0.007 . 1442 . 160 ILE HB H 1.732 0.013 . 1443 . 160 ILE HD1 H 0.684 0.035 . 1444 . 160 ILE HG12 H 1.410 0.004 . 1445 . 160 ILE HG13 H 1.050 0.010 . 1446 . 160 ILE HG2 H 0.850 0.010 . 1447 . 160 ILE H H 9.236 0.015 . 1448 . 160 ILE N N 130.334 0.080 . 1449 . 161 LYS CA C 54.870 0.146 . 1450 . 161 LYS CB C 37.342 0.088 . 1451 . 161 LYS CD C 29.509 0.100 . 1452 . 161 LYS CE C 41.785 0.100 . 1453 . 161 LYS CG C 25.254 0.100 . 1454 . 161 LYS C C 172.837 0.024 . 1455 . 161 LYS HA H 4.492 0.010 . 1456 . 161 LYS HB2 H 1.849 0.013 . 1457 . 161 LYS HB3 H 1.675 0.022 . 1458 . 161 LYS HD2 H 1.600 0.001 . 1459 . 161 LYS HE2 H 2.784 0.003 . 1460 . 161 LYS HG2 H 1.382 0.008 . 1461 . 161 LYS H H 7.674 0.016 . 1462 . 161 LYS N N 115.391 0.046 . 1463 . 162 ALA CA C 50.068 0.052 . 1464 . 162 ALA CB C 22.836 0.079 . 1465 . 162 ALA C C 176.088 0.014 . 1466 . 162 ALA HA H 5.676 0.010 . 1467 . 162 ALA HB H 1.285 0.009 . 1468 . 162 ALA H H 8.231 0.009 . 1469 . 162 ALA N N 125.020 0.102 . 1470 . 163 TYR CA C 54.407 0.100 . 1471 . 163 TYR CB C 36.782 0.048 . 1472 . 163 TYR C C 171.667 0.100 . 1473 . 163 TYR HA H 4.809 0.010 . 1474 . 163 TYR HB2 H 3.299 0.014 . 1475 . 163 TYR HD1 H 6.926 0.017 . 1476 . 163 TYR HE1 H 6.548 0.010 . 1477 . 163 TYR H H 7.994 0.012 . 1478 . 163 TYR N N 113.156 0.037 . 1479 . 164 PRO CA C 61.561 0.048 . 1480 . 164 PRO CB C 32.617 0.019 . 1481 . 164 PRO CD C 50.469 0.119 . 1482 . 164 PRO C C 175.849 0.018 . 1483 . 164 PRO HA H 5.573 0.013 . 1484 . 164 PRO HB2 H 2.133 0.003 . 1485 . 164 PRO HD2 H 3.550 0.029 . 1486 . 164 PRO HD3 H 3.667 0.010 . 1487 . 165 SER CA C 59.189 0.091 . 1488 . 165 SER CB C 65.365 0.057 . 1489 . 165 SER C C 173.463 0.022 . 1490 . 165 SER HA H 4.604 0.011 . 1491 . 165 SER HB2 H 3.850 0.015 . 1492 . 165 SER H H 8.567 0.010 . 1493 . 165 SER N N 113.618 0.069 . 1494 . 166 GLY CA C 45.416 0.041 . 1495 . 166 GLY C C 174.620 0.013 . 1496 . 166 GLY HA2 H 4.192 0.008 . 1497 . 166 GLY HA3 H 3.971 0.004 . 1498 . 166 GLY H H 8.554 0.006 . 1499 . 166 GLY N N 109.236 0.077 . 1500 . 167 LEU CA C 54.877 0.114 . 1501 . 167 LEU CB C 42.528 0.068 . 1502 . 167 LEU CD1 C 25.268 0.100 . 1503 . 167 LEU CD2 C 23.547 0.100 . 1504 . 167 LEU CG C 27.266 0.100 . 1505 . 167 LEU C C 176.148 0.006 . 1506 . 167 LEU HA H 4.419 0.010 . 1507 . 167 LEU HB2 H 1.643 0.011 . 1508 . 167 LEU HD1 H 0.817 0.007 . 1509 . 167 LEU HD2 H 0.764 0.001 . 1510 . 167 LEU HG H 1.522 0.010 . 1511 . 167 LEU H H 8.296 0.008 . 1512 . 167 LEU N N 121.514 0.076 . stop_ save_