data_16992 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C,15N backbone and sidechain assignment of human Raf kinase inhibitor protein from Escherichia coli ; _BMRB_accession_number 16992 _BMRB_flat_file_name bmr16992.str _Entry_type original _Submission_date 2010-06-09 _Accession_date 2010-06-09 _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 Cuiying Yi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 979 "13C chemical shifts" 720 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-10-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, ( 13)C, ( 15)N backbone and side-chain resonance assignments of the human Raf-1 kinase inhibitor protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20924725 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yi Cuiying . . 2 Peng Yu . . 3 Guo Chenyun . . 4 Lin Donghai . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 63 _Page_last 66 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RKIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RKIP $RKIP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RKIP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RKIP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 202 _Mol_residue_sequence ; MSYYHHHHHHEGVRTMPVDL SKWSGPLSLQEVDEQPQHPL HVTYAGAAVDELGKVLTPTQ VKNRPTSISWDGLDSGKLYT LVLTDPDAPSRKDPKYREWH HFLVVNMKGNDISSGTVLSD YVGSGPPKGTGLHRYVWLVY EQDRPLKCDEPILSNRSGDH RGKFKVASFRKKYELRAPVA GTCYQAEWDDYVPKLYEQLS GK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -14 MET 2 -13 SER 3 -12 TYR 4 -11 TYR 5 -10 HIS 6 -9 HIS 7 -8 HIS 8 -7 HIS 9 -6 HIS 10 -5 HIS 11 -4 GLU 12 -3 GLY 13 -2 VAL 14 -1 ARG 15 0 THR 16 1 MET 17 2 PRO 18 3 VAL 19 4 ASP 20 5 LEU 21 6 SER 22 7 LYS 23 8 TRP 24 9 SER 25 10 GLY 26 11 PRO 27 12 LEU 28 13 SER 29 14 LEU 30 15 GLN 31 16 GLU 32 17 VAL 33 18 ASP 34 19 GLU 35 20 GLN 36 21 PRO 37 22 GLN 38 23 HIS 39 24 PRO 40 25 LEU 41 26 HIS 42 27 VAL 43 28 THR 44 29 TYR 45 30 ALA 46 31 GLY 47 32 ALA 48 33 ALA 49 34 VAL 50 35 ASP 51 36 GLU 52 37 LEU 53 38 GLY 54 39 LYS 55 40 VAL 56 41 LEU 57 42 THR 58 43 PRO 59 44 THR 60 45 GLN 61 46 VAL 62 47 LYS 63 48 ASN 64 49 ARG 65 50 PRO 66 51 THR 67 52 SER 68 53 ILE 69 54 SER 70 55 TRP 71 56 ASP 72 57 GLY 73 58 LEU 74 59 ASP 75 60 SER 76 61 GLY 77 62 LYS 78 63 LEU 79 64 TYR 80 65 THR 81 66 LEU 82 67 VAL 83 68 LEU 84 69 THR 85 70 ASP 86 71 PRO 87 72 ASP 88 73 ALA 89 74 PRO 90 75 SER 91 76 ARG 92 77 LYS 93 78 ASP 94 79 PRO 95 80 LYS 96 81 TYR 97 82 ARG 98 83 GLU 99 84 TRP 100 85 HIS 101 86 HIS 102 87 PHE 103 88 LEU 104 89 VAL 105 90 VAL 106 91 ASN 107 92 MET 108 93 LYS 109 94 GLY 110 95 ASN 111 96 ASP 112 97 ILE 113 98 SER 114 99 SER 115 100 GLY 116 101 THR 117 102 VAL 118 103 LEU 119 104 SER 120 105 ASP 121 106 TYR 122 107 VAL 123 108 GLY 124 109 SER 125 110 GLY 126 111 PRO 127 112 PRO 128 113 LYS 129 114 GLY 130 115 THR 131 116 GLY 132 117 LEU 133 118 HIS 134 119 ARG 135 120 TYR 136 121 VAL 137 122 TRP 138 123 LEU 139 124 VAL 140 125 TYR 141 126 GLU 142 127 GLN 143 128 ASP 144 129 ARG 145 130 PRO 146 131 LEU 147 132 LYS 148 133 CYS 149 134 ASP 150 135 GLU 151 136 PRO 152 137 ILE 153 138 LEU 154 139 SER 155 140 ASN 156 141 ARG 157 142 SER 158 143 GLY 159 144 ASP 160 145 HIS 161 146 ARG 162 147 GLY 163 148 LYS 164 149 PHE 165 150 LYS 166 151 VAL 167 152 ALA 168 153 SER 169 154 PHE 170 155 ARG 171 156 LYS 172 157 LYS 173 158 TYR 174 159 GLU 175 160 LEU 176 161 ARG 177 162 ALA 178 163 PRO 179 164 VAL 180 165 ALA 181 166 GLY 182 167 THR 183 168 CYS 184 169 TYR 185 170 GLN 186 171 ALA 187 172 GLU 188 173 TRP 189 174 ASP 190 175 ASP 191 176 TYR 192 177 VAL 193 178 PRO 194 179 LYS 195 180 LEU 196 181 TYR 197 182 GLU 198 183 GLN 199 184 LEU 200 185 SER 201 186 GLY 202 187 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 17382 Raf-1_kinase_inhibitor_protein 92.57 187 100.00 100.00 1.70e-133 BMRB 18204 hPEBP1 92.57 187 100.00 100.00 1.70e-133 PDB 1BD9 "Human Phosphatidylethanolamine Binding Protein" 92.57 187 100.00 100.00 1.70e-133 PDB 1BEH "Human Phosphatidylethanolamine Binding Protein In Complex With Cacodylate" 92.57 187 100.00 100.00 1.70e-133 PDB 2L7W "Solution Structure Of The Human Raf-1 Kinase Inhibitor Protein" 92.57 187 100.00 100.00 1.70e-133 PDB 2QYQ "Human Raf Kinase Inhibitor Protein (Rkip) In Complex With O- Phosphotyrosine" 92.57 187 100.00 100.00 1.70e-133 DBJ BAA03684 "rat phosphatidylethanolamine binding protein homologue [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 DBJ BAE88027 "unnamed protein product [Macaca fascicularis]" 92.57 187 97.33 97.86 1.40e-129 DBJ BAE88359 "unnamed protein product [Macaca fascicularis]" 69.80 165 98.58 99.29 5.49e-95 DBJ BAG34868 "unnamed protein product [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 DBJ BAG61396 "unnamed protein product [Homo sapiens]" 66.34 155 100.00 100.00 4.40e-91 EMBL CAA51652 "phosphatidylethanolamine-binding protein [Macaca fascicularis]" 92.57 187 97.86 98.40 3.04e-130 EMBL CAA53031 "phosphatidylethanolamine binding protein [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 EMBL CAA59404 "phosphatidylethanolamine binding protein [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 EMBL CAH93256 "hypothetical protein [Pongo abelii]" 92.57 187 98.93 100.00 3.32e-132 GB AAB32876 "neuropolypeptide h3 [human, brain, Peptide, 186 aa]" 92.08 186 100.00 100.00 1.98e-132 GB AAD14234 "neuropolypeptide h3, partial [Homo sapiens]" 69.31 140 100.00 100.00 2.57e-97 GB AAH08714 "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 GB AAH17396 "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 GB AAH31102 "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 PRF 2117380B "hippocampal cholinergic neurostimulating peptide" 92.57 187 100.00 100.00 1.70e-133 REF NP_001126915 "phosphatidylethanolamine-binding protein 1 [Pongo abelii]" 92.57 187 98.93 100.00 3.32e-132 REF NP_001233128 "phosphatidylethanolamine-binding protein 1 [Macaca mulatta]" 92.57 187 97.86 98.40 3.04e-130 REF NP_002558 "phosphatidylethanolamine-binding protein 1 [Homo sapiens]" 92.57 187 100.00 100.00 1.70e-133 REF XP_002753109 "PREDICTED: phosphatidylethanolamine-binding protein 1 [Callithrix jacchus]" 92.57 187 98.93 99.47 3.55e-132 REF XP_004054017 "PREDICTED: phosphatidylethanolamine-binding protein 1 [Gorilla gorilla gorilla]" 92.57 187 99.47 99.47 8.20e-133 SP P30086 "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; AltName: Full=Neuropolypeptide h3" 92.57 187 100.00 100.00 1.70e-133 SP P48737 "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; Contains: RecName: Full=Hippocamp" 92.57 187 97.86 98.40 3.04e-130 SP Q5R4R0 "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; Contains: RecName: Full=Hippocamp" 92.57 187 98.93 100.00 3.32e-132 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RKIP 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 $RKIP 'recombinant technology' . Escherichia coli . PET28a 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 'acetic acid' 200 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' $RKIP 3 mM '[U-100% 13C; U-100% 15N]' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.4 . M pH 4.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HN(CO)CA' '3D HNCA' '3D HBHA(CO)NH' '3D 1H-15N TOCSY' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RKIP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 16 MET H H 8.544 0.009 1 2 1 16 MET HA H 4.840 0.006 1 3 1 16 MET HB2 H 2.096 0.016 1 4 1 16 MET HB3 H 2.005 0.017 1 5 1 16 MET HG2 H 2.647 0.015 1 6 1 16 MET HG3 H 2.589 0.032 1 7 1 16 MET C C 175.296 0.007 1 8 1 16 MET CA C 54.340 0.032 1 9 1 16 MET CB C 33.593 0.080 1 10 1 16 MET CG C 33.318 0.079 1 11 1 16 MET N N 125.416 0.013 1 12 2 17 PRO HA H 4.518 0.003 1 13 2 17 PRO HB2 H 2.342 0.009 1 14 2 17 PRO HB3 H 1.986 0.004 1 15 2 17 PRO HD2 H 3.854 0.002 1 16 2 17 PRO HD3 H 3.749 0.023 1 17 2 17 PRO HG2 H 2.054 0.010 1 18 2 17 PRO HG3 H 2.054 0.010 1 19 2 17 PRO C C 178.055 0.043 1 20 2 17 PRO CA C 64.258 0.061 1 21 2 17 PRO CB C 33.274 0.024 1 22 2 17 PRO CD C 51.880 0.023 1 23 2 17 PRO CG C 28.583 0.036 1 24 3 18 VAL H H 8.315 0.008 1 25 3 18 VAL HA H 4.002 0.031 1 26 3 18 VAL HB H 2.037 0.014 1 27 3 18 VAL HG1 H 0.890 0.042 1 28 3 18 VAL HG2 H 1.000 0.011 1 29 3 18 VAL C C 176.321 0.023 1 30 3 18 VAL CA C 64.292 0.072 1 31 3 18 VAL CB C 33.466 0.057 1 32 3 18 VAL CG1 C 21.123 0.017 1 33 3 18 VAL CG2 C 21.960 0.009 1 34 3 18 VAL N N 121.984 0.002 1 35 4 19 ASP H H 8.396 0.007 1 36 4 19 ASP HA H 4.759 0.006 1 37 4 19 ASP HB2 H 2.905 0.012 1 38 4 19 ASP HB3 H 2.832 0.014 1 39 4 19 ASP C C 177.905 0.050 1 40 4 19 ASP CA C 54.472 0.046 1 41 4 19 ASP CB C 42.414 0.028 1 42 4 19 ASP N N 125.897 0.014 1 43 5 20 LEU H H 8.728 0.005 1 44 5 20 LEU HA H 4.394 0.019 1 45 5 20 LEU HB2 H 1.740 0.016 1 46 5 20 LEU HB3 H 1.625 0.029 1 47 5 20 LEU HD1 H 0.892 0.016 1 48 5 20 LEU HD2 H 0.613 0.012 1 49 5 20 LEU HG H 1.595 0.002 1 50 5 20 LEU C C 178.780 0.058 1 51 5 20 LEU CA C 56.747 0.051 1 52 5 20 LEU CB C 43.280 0.041 1 53 5 20 LEU CD1 C 24.629 0.016 1 54 5 20 LEU CD2 C 26.777 0.047 1 55 5 20 LEU CG C 28.032 0.052 1 56 5 20 LEU N N 123.687 0.040 1 57 6 21 SER H H 8.568 0.007 1 58 6 21 SER HA H 4.298 0.015 1 59 6 21 SER HB2 H 4.060 0.042 1 60 6 21 SER HB3 H 4.060 0.042 1 61 6 21 SER C C 177.532 0.022 1 62 6 21 SER CA C 62.806 0.053 1 63 6 21 SER CB C 63.753 0.066 1 64 6 21 SER N N 116.763 0.013 1 65 7 22 LYS H H 7.733 0.005 1 66 7 22 LYS HA H 4.476 0.016 1 67 7 22 LYS HB2 H 1.888 0.016 1 68 7 22 LYS HB3 H 1.888 0.016 1 69 7 22 LYS HD2 H 1.694 0.007 1 70 7 22 LYS HD3 H 1.694 0.007 1 71 7 22 LYS HG2 H 1.590 0.009 1 72 7 22 LYS HG3 H 1.435 0.011 1 73 7 22 LYS C C 178.312 0.037 1 74 7 22 LYS CA C 57.005 0.060 1 75 7 22 LYS CB C 32.812 0.060 1 76 7 22 LYS CD C 29.765 0.026 1 77 7 22 LYS CG C 26.647 0.059 1 78 7 22 LYS N N 120.294 0.005 1 79 8 23 TRP H H 8.442 0.004 1 80 8 23 TRP HA H 3.839 0.024 1 81 8 23 TRP HB2 H 3.777 0.006 1 82 8 23 TRP HB3 H 3.378 0.013 1 83 8 23 TRP C C 175.464 0.017 1 84 8 23 TRP CA C 63.431 0.060 1 85 8 23 TRP CB C 30.788 0.060 1 86 8 23 TRP N N 126.079 0.017 1 87 9 24 SER H H 7.760 0.007 1 88 9 24 SER HA H 5.279 0.008 1 89 9 24 SER HB2 H 4.043 0.008 1 90 9 24 SER HB3 H 4.019 0.034 1 91 9 24 SER CA C 57.940 0.030 1 92 9 24 SER CB C 64.329 0.060 1 93 9 24 SER N N 106.455 0.011 1 94 10 25 GLY H H 7.318 0.007 1 95 10 25 GLY HA2 H 4.352 0.016 1 96 10 25 GLY HA3 H 3.913 0.011 1 97 10 25 GLY CA C 45.198 0.045 1 98 10 25 GLY N N 109.829 0.002 1 99 11 26 PRO HA H 4.233 0.011 1 100 11 26 PRO HB2 H 2.357 0.016 1 101 11 26 PRO HB3 H 1.828 0.008 1 102 11 26 PRO HD2 H 3.894 0.001 1 103 11 26 PRO HD3 H 3.631 0.004 1 104 11 26 PRO HG2 H 2.012 0.012 1 105 11 26 PRO HG3 H 1.331 0.002 1 106 11 26 PRO C C 179.794 0.073 1 107 11 26 PRO CA C 66.462 0.071 1 108 11 26 PRO CB C 33.093 0.046 1 109 11 26 PRO CD C 51.300 0.044 1 110 11 26 PRO CG C 28.556 0.063 1 111 12 27 LEU H H 9.137 0.009 1 112 12 27 LEU HA H 3.873 0.010 1 113 12 27 LEU HB2 H 1.588 0.011 1 114 12 27 LEU HB3 H 1.070 0.008 1 115 12 27 LEU HD1 H 0.641 0.024 1 116 12 27 LEU HD2 H 0.636 0.020 1 117 12 27 LEU HG H 1.594 0.007 1 118 12 27 LEU C C 177.109 0.028 1 119 12 27 LEU CA C 58.235 0.045 1 120 12 27 LEU CB C 43.529 0.045 1 121 12 27 LEU CD1 C 27.167 0.058 1 122 12 27 LEU CD2 C 23.730 0.058 1 123 12 27 LEU CG C 28.150 0.055 1 124 12 27 LEU N N 118.364 0.010 1 125 13 28 SER H H 8.575 0.005 1 126 13 28 SER HA H 4.383 0.018 1 127 13 28 SER HB2 H 3.827 0.000 1 128 13 28 SER HB3 H 3.476 0.006 1 129 13 28 SER CA C 58.787 0.072 1 130 13 28 SER CB C 63.751 0.058 1 131 13 28 SER N N 112.106 0.013 1 132 14 29 LEU H H 8.131 0.006 1 133 14 29 LEU HA H 3.481 0.012 1 134 14 29 LEU HB2 H -0.104 0.009 1 135 14 29 LEU HB3 H -0.283 0.031 1 136 14 29 LEU HD1 H 0.466 0.012 1 137 14 29 LEU HD2 H 0.468 0.009 1 138 14 29 LEU HG H 1.019 0.019 1 139 14 29 LEU C C 179.713 0.054 1 140 14 29 LEU CA C 58.064 0.066 1 141 14 29 LEU CB C 38.506 0.048 1 142 14 29 LEU CD1 C 26.886 0.062 1 143 14 29 LEU CD2 C 25.018 0.047 1 144 14 29 LEU N N 117.254 0.024 1 145 15 30 GLN H H 9.553 0.006 1 146 15 30 GLN HA H 4.817 0.005 1 147 15 30 GLN HB2 H 2.173 0.015 1 148 15 30 GLN HB3 H 2.173 0.015 1 149 15 30 GLN HG2 H 2.661 0.010 1 150 15 30 GLN HG3 H 2.661 0.010 1 151 15 30 GLN C C 178.578 0.046 1 152 15 30 GLN CA C 58.419 0.070 1 153 15 30 GLN CB C 26.485 0.025 1 154 15 30 GLN CG C 33.819 0.039 1 155 15 30 GLN N N 122.875 0.014 1 156 16 31 GLU H H 7.649 0.008 1 157 16 31 GLU HA H 4.092 0.014 1 158 16 31 GLU HB2 H 2.018 0.008 1 159 16 31 GLU HB3 H 1.875 0.003 1 160 16 31 GLU HG2 H 2.439 0.021 1 161 16 31 GLU HG3 H 2.316 0.023 1 162 16 31 GLU C C 177.599 0.039 1 163 16 31 GLU CA C 59.339 0.062 1 164 16 31 GLU CB C 31.600 0.078 1 165 16 31 GLU CG C 38.370 0.062 1 166 16 31 GLU N N 120.457 0.009 1 167 17 32 VAL H H 8.377 0.005 1 168 17 32 VAL HA H 3.962 0.008 1 169 17 32 VAL HB H 2.280 0.011 1 170 17 32 VAL HG1 H 0.992 0.007 1 171 17 32 VAL HG2 H 0.790 0.006 1 172 17 32 VAL C C 176.177 0.030 1 173 17 32 VAL CA C 66.164 0.068 1 174 17 32 VAL CB C 33.250 0.063 1 175 17 32 VAL CG1 C 24.379 0.015 1 176 17 32 VAL CG2 C 22.649 0.058 1 177 17 32 VAL N N 120.604 0.056 1 178 18 33 ASP H H 8.145 0.007 1 179 18 33 ASP HA H 4.762 0.013 1 180 18 33 ASP HB2 H 2.990 0.013 1 181 18 33 ASP HB3 H 2.609 0.008 1 182 18 33 ASP C C 174.918 0.023 1 183 18 33 ASP CA C 54.467 0.058 1 184 18 33 ASP CB C 44.105 0.053 1 185 18 33 ASP N N 111.939 0.014 1 186 19 34 GLU H H 8.957 0.005 1 187 19 34 GLU HA H 3.999 0.015 1 188 19 34 GLU HB2 H 2.026 0.008 1 189 19 34 GLU HB3 H 1.627 0.013 1 190 19 34 GLU HG2 H 2.228 0.012 1 191 19 34 GLU HG3 H 2.170 0.025 1 192 19 34 GLU C C 173.552 0.023 1 193 19 34 GLU CA C 56.948 0.067 1 194 19 34 GLU CB C 32.982 0.079 1 195 19 34 GLU CG C 38.310 0.054 1 196 19 34 GLU N N 118.777 0.011 1 197 20 35 GLN H H 7.728 0.006 1 198 20 35 GLN HE22 H 7.021 0.005 1 199 20 35 GLN CA C 54.313 0.022 1 200 20 35 GLN N N 117.952 0.018 1 201 21 36 PRO HA H 4.324 0.009 1 202 21 36 PRO HB2 H 1.346 0.015 1 203 21 36 PRO HB3 H 1.193 0.003 1 204 21 36 PRO HG2 H 0.929 0.006 1 205 21 36 PRO HG3 H 0.880 0.034 1 206 21 36 PRO C C 176.060 0.020 1 207 21 36 PRO CA C 61.841 0.046 1 208 21 36 PRO CB C 33.535 0.055 1 209 21 36 PRO CD C 50.423 0.025 1 210 21 36 PRO CG C 28.505 0.069 1 211 22 37 GLN H H 6.735 0.003 1 212 22 37 GLN HA H 3.714 0.010 1 213 22 37 GLN HB2 H 1.603 0.013 1 214 22 37 GLN HB3 H 1.603 0.013 1 215 22 37 GLN HG2 H 2.300 0.011 1 216 22 37 GLN HG3 H 2.092 0.018 1 217 22 37 GLN C C 177.177 0.026 1 218 22 37 GLN CA C 59.458 0.040 1 219 22 37 GLN CB C 30.773 0.058 1 220 22 37 GLN CG C 35.383 0.013 1 221 22 37 GLN N N 116.535 0.012 1 222 23 38 HIS H H 7.495 0.011 1 223 23 38 HIS HA H 5.251 0.005 1 224 23 38 HIS HB2 H 3.693 0.069 1 225 23 38 HIS HB3 H 2.994 0.014 1 226 23 38 HIS CA C 53.248 0.045 1 227 23 38 HIS CB C 32.092 0.061 1 228 23 38 HIS N N 113.147 0.033 1 229 24 39 PRO HA H 4.807 0.013 1 230 24 39 PRO HB2 H 1.842 0.003 1 231 24 39 PRO HB3 H 1.842 0.003 1 232 24 39 PRO HD2 H 4.260 0.009 1 233 24 39 PRO HD3 H 3.920 0.006 1 234 24 39 PRO HG2 H 2.325 0.019 1 235 24 39 PRO HG3 H 2.325 0.019 1 236 24 39 PRO C C 176.846 0.035 1 237 24 39 PRO CA C 63.562 0.060 1 238 24 39 PRO CB C 33.171 0.048 1 239 24 39 PRO CD C 51.722 0.056 1 240 24 39 PRO CG C 29.092 0.051 1 241 25 40 LEU H H 7.542 0.003 1 242 25 40 LEU HA H 4.580 0.016 1 243 25 40 LEU HB2 H 1.398 0.017 1 244 25 40 LEU HB3 H 0.814 0.007 1 245 25 40 LEU HD1 H 0.803 0.007 1 246 25 40 LEU HD2 H 0.432 0.007 1 247 25 40 LEU HG H 1.249 0.003 1 248 25 40 LEU C C 175.815 0.003 1 249 25 40 LEU CA C 54.462 0.031 1 250 25 40 LEU CB C 45.271 0.068 1 251 25 40 LEU CD1 C 26.643 0.012 1 252 25 40 LEU CD2 C 28.283 0.023 1 253 25 40 LEU N N 124.624 0.008 1 254 26 41 HIS H H 9.272 0.005 1 255 26 41 HIS HA H 4.884 0.010 1 256 26 41 HIS HB2 H 3.177 0.006 1 257 26 41 HIS HB3 H 3.177 0.006 1 258 26 41 HIS C C 175.448 0.021 1 259 26 41 HIS CA C 56.349 0.032 1 260 26 41 HIS CB C 29.346 0.051 1 261 26 41 HIS N N 126.970 0.035 1 262 27 42 VAL H H 7.589 0.006 1 263 27 42 VAL HA H 4.343 0.006 1 264 27 42 VAL HB H 1.581 0.007 1 265 27 42 VAL HG1 H 0.191 0.006 1 266 27 42 VAL HG2 H 0.199 0.003 1 267 27 42 VAL C C 175.076 0.014 1 268 27 42 VAL CA C 62.721 0.041 1 269 27 42 VAL CB C 35.997 0.046 1 270 27 42 VAL CG1 C 22.433 0.055 1 271 27 42 VAL CG2 C 22.407 0.061 1 272 27 42 VAL N N 125.002 0.030 1 273 28 43 THR H H 8.445 0.007 1 274 28 43 THR HA H 4.563 0.011 1 275 28 43 THR HB H 3.948 0.008 1 276 28 43 THR HG2 H 1.136 0.021 1 277 28 43 THR C C 173.383 0.006 1 278 28 43 THR CA C 62.778 0.042 1 279 28 43 THR CB C 71.866 0.074 1 280 28 43 THR CG2 C 22.920 0.063 1 281 28 43 THR N N 122.719 0.006 1 282 29 44 TYR H H 9.000 0.009 1 283 29 44 TYR HA H 4.552 0.005 1 284 29 44 TYR HB2 H 3.207 0.014 1 285 29 44 TYR HB3 H 2.568 0.019 1 286 29 44 TYR C C 176.035 0.023 1 287 29 44 TYR CA C 57.923 0.031 1 288 29 44 TYR CB C 41.393 0.039 1 289 29 44 TYR N N 123.596 0.006 1 290 30 45 ALA H H 8.423 0.009 1 291 30 45 ALA HA H 4.116 0.009 1 292 30 45 ALA HB H 1.362 0.009 1 293 30 45 ALA C C 179.051 0.046 1 294 30 45 ALA CA C 55.780 0.063 1 295 30 45 ALA CB C 18.868 0.073 1 296 30 45 ALA N N 124.333 0.018 1 297 31 46 GLY H H 8.628 0.005 1 298 31 46 GLY HA2 H 4.288 0.015 1 299 31 46 GLY HA3 H 3.696 0.010 1 300 31 46 GLY C C 175.001 0.005 1 301 31 46 GLY CA C 46.498 0.040 1 302 31 46 GLY N N 107.156 0.044 1 303 32 47 ALA H H 7.302 0.005 1 304 32 47 ALA HA H 4.643 0.009 1 305 32 47 ALA HB H 1.234 0.010 1 306 32 47 ALA C C 175.728 0.012 1 307 32 47 ALA CA C 52.762 0.043 1 308 32 47 ALA CB C 23.569 0.004 1 309 32 47 ALA N N 120.893 0.009 1 310 33 48 ALA H H 8.659 0.007 1 311 33 48 ALA HA H 5.057 0.010 1 312 33 48 ALA HB H 1.398 0.009 1 313 33 48 ALA C C 177.543 0.038 1 314 33 48 ALA CA C 52.584 0.041 1 315 33 48 ALA CB C 23.540 0.039 1 316 33 48 ALA N N 121.366 0.011 1 317 34 49 VAL H H 8.639 0.009 1 318 34 49 VAL HA H 4.203 0.009 1 319 34 49 VAL HB H 2.422 0.012 1 320 34 49 VAL HG1 H 1.356 0.005 1 321 34 49 VAL HG2 H 1.176 0.013 1 322 34 49 VAL C C 176.509 0.031 1 323 34 49 VAL CA C 63.594 0.051 1 324 34 49 VAL CB C 31.498 0.061 1 325 34 49 VAL CG1 C 25.734 0.082 1 326 34 49 VAL CG2 C 23.891 0.019 1 327 34 49 VAL N N 119.655 0.013 1 328 35 50 ASP H H 8.215 0.006 1 329 35 50 ASP HA H 4.736 0.014 1 330 35 50 ASP HB2 H 3.029 0.012 1 331 35 50 ASP HB3 H 2.504 0.028 1 332 35 50 ASP C C 175.287 0.054 1 333 35 50 ASP CA C 54.617 0.047 1 334 35 50 ASP CB C 41.637 0.059 1 335 35 50 ASP N N 126.393 0.026 1 336 36 51 GLU H H 7.468 0.004 1 337 36 51 GLU HA H 4.535 0.014 1 338 36 51 GLU HB2 H 2.055 0.018 1 339 36 51 GLU HB3 H 2.055 0.018 1 340 36 51 GLU HG2 H 2.298 0.033 1 341 36 51 GLU HG3 H 2.298 0.033 1 342 36 51 GLU C C 176.149 0.022 1 343 36 51 GLU CA C 56.307 0.024 1 344 36 51 GLU CB C 34.052 0.026 1 345 36 51 GLU N N 116.279 0.060 1 346 37 52 LEU H H 9.077 0.009 1 347 37 52 LEU HA H 4.290 0.009 1 348 37 52 LEU HB2 H 1.869 0.009 1 349 37 52 LEU HB3 H 1.501 0.030 1 350 37 52 LEU HD1 H 1.175 0.008 1 351 37 52 LEU HD2 H 0.999 0.015 1 352 37 52 LEU HG H 1.492 0.005 1 353 37 52 LEU C C 178.943 0.018 1 354 37 52 LEU CA C 58.205 0.035 1 355 37 52 LEU CB C 42.708 0.027 1 356 37 52 LEU CD1 C 26.278 0.063 1 357 37 52 LEU CD2 C 27.103 0.031 1 358 37 52 LEU CG C 28.144 0.073 1 359 37 52 LEU N N 125.826 0.021 1 360 38 53 GLY H H 9.221 0.009 1 361 38 53 GLY HA2 H 4.226 0.003 1 362 38 53 GLY HA3 H 3.350 0.008 1 363 38 53 GLY C C 174.136 0.012 1 364 38 53 GLY CA C 46.900 0.038 1 365 38 53 GLY N N 115.647 0.011 1 366 39 54 LYS H H 7.586 0.007 1 367 39 54 LYS HA H 4.067 0.012 1 368 39 54 LYS HB2 H 2.349 0.012 1 369 39 54 LYS HB3 H 2.014 0.019 1 370 39 54 LYS HD2 H 2.081 0.013 1 371 39 54 LYS HD3 H 2.081 0.013 1 372 39 54 LYS HE2 H 3.200 0.010 1 373 39 54 LYS HE3 H 3.200 0.010 1 374 39 54 LYS HG2 H 1.644 0.009 1 375 39 54 LYS HG3 H 1.610 0.015 1 376 39 54 LYS C C 176.056 0.028 1 377 39 54 LYS CA C 58.252 0.026 1 378 39 54 LYS CB C 36.560 0.057 1 379 39 54 LYS CD C 32.016 0.057 1 380 39 54 LYS CE C 43.437 0.070 1 381 39 54 LYS CG C 26.078 0.077 1 382 39 54 LYS N N 122.489 0.007 1 383 40 55 VAL H H 8.713 0.006 1 384 40 55 VAL HA H 4.787 0.006 1 385 40 55 VAL HB H 2.057 0.011 1 386 40 55 VAL HG1 H 1.078 0.024 1 387 40 55 VAL HG2 H 0.968 0.033 1 388 40 55 VAL C C 177.238 0.034 1 389 40 55 VAL CA C 64.305 0.054 1 390 40 55 VAL CB C 32.861 0.051 1 391 40 55 VAL N N 128.650 0.014 1 392 41 56 LEU H H 9.176 0.008 1 393 41 56 LEU HA H 4.900 0.011 1 394 41 56 LEU HB2 H 1.218 0.023 1 395 41 56 LEU HB3 H 1.198 0.025 1 396 41 56 LEU HD1 H 0.738 0.012 1 397 41 56 LEU HD2 H 0.180 0.004 1 398 41 56 LEU HG H 1.542 0.007 1 399 41 56 LEU C C 177.452 0.031 1 400 41 56 LEU CA C 54.086 0.040 1 401 41 56 LEU CB C 47.129 0.047 1 402 41 56 LEU CD1 C 25.240 0.052 1 403 41 56 LEU CD2 C 27.079 0.043 1 404 41 56 LEU CG C 28.906 0.032 1 405 41 56 LEU N N 130.545 0.019 1 406 42 57 THR H H 8.582 0.006 1 407 42 57 THR HA H 4.961 0.007 1 408 42 57 THR HB H 4.760 0.005 1 409 42 57 THR HG2 H 1.207 0.022 1 410 42 57 THR C C 175.648 0.000 1 411 42 57 THR CA C 59.628 0.058 1 412 42 57 THR CB C 69.927 0.062 1 413 42 57 THR CG2 C 22.855 0.070 1 414 42 57 THR N N 110.772 0.052 1 415 43 58 PRO HA H 3.773 0.007 1 416 43 58 PRO HB2 H 2.374 0.008 1 417 43 58 PRO HB3 H 2.374 0.008 1 418 43 58 PRO C C 180.671 0.056 1 419 43 58 PRO CA C 66.441 0.053 1 420 43 58 PRO CB C 30.827 0.032 1 421 44 59 THR H H 8.616 0.013 1 422 44 59 THR HA H 3.849 0.005 1 423 44 59 THR HB H 3.133 0.011 1 424 44 59 THR HG2 H 0.927 0.018 1 425 44 59 THR C C 177.465 0.000 1 426 44 59 THR CA C 69.516 0.065 1 427 44 59 THR CG2 C 21.696 0.060 1 428 44 59 THR N N 115.852 0.028 1 429 45 60 GLN H H 7.668 0.004 1 430 45 60 GLN HA H 3.747 0.013 1 431 45 60 GLN HB2 H 2.315 0.057 1 432 45 60 GLN HB3 H 1.337 0.016 1 433 45 60 GLN HG2 H 2.381 0.028 1 434 45 60 GLN HG3 H 2.213 0.008 1 435 45 60 GLN C C 179.438 0.056 1 436 45 60 GLN CA C 59.772 0.078 1 437 45 60 GLN CB C 30.412 0.042 1 438 45 60 GLN CG C 36.355 0.027 1 439 45 60 GLN N N 119.821 0.011 1 440 46 61 VAL H H 6.853 0.006 1 441 46 61 VAL HA H 4.026 0.007 1 442 46 61 VAL HB H 2.031 0.008 1 443 46 61 VAL HG1 H -0.794 0.002 1 444 46 61 VAL HG2 H 0.599 0.016 1 445 46 61 VAL C C 176.125 0.029 1 446 46 61 VAL CA C 60.375 0.065 1 447 46 61 VAL CB C 31.233 0.046 1 448 46 61 VAL CG1 C 21.143 0.050 1 449 46 61 VAL CG2 C 19.177 0.064 1 450 46 61 VAL N N 109.141 0.007 1 451 47 62 LYS H H 6.585 0.001 1 452 47 62 LYS HA H 4.141 0.007 1 453 47 62 LYS HB2 H 1.359 0.004 1 454 47 62 LYS HB3 H 0.952 0.007 1 455 47 62 LYS HD2 H 1.096 0.003 1 456 47 62 LYS HD3 H 1.085 0.028 1 457 47 62 LYS HE2 H 2.694 0.014 1 458 47 62 LYS HE3 H 2.525 0.017 1 459 47 62 LYS HG2 H 1.157 0.041 1 460 47 62 LYS HG3 H 0.961 0.025 1 461 47 62 LYS C C 176.918 0.031 1 462 47 62 LYS CA C 59.486 0.039 1 463 47 62 LYS CB C 32.619 0.043 1 464 47 62 LYS CD C 30.537 0.019 1 465 47 62 LYS CE C 42.554 0.068 1 466 47 62 LYS CG C 23.474 0.053 1 467 47 62 LYS N N 120.718 0.008 1 468 48 63 ASN H H 8.101 0.006 1 469 48 63 ASN HA H 5.053 0.008 1 470 48 63 ASN HB2 H 2.772 0.010 1 471 48 63 ASN HB3 H 2.470 0.013 1 472 48 63 ASN C C 173.451 0.028 1 473 48 63 ASN CA C 52.110 0.033 1 474 48 63 ASN CB C 42.765 0.065 1 475 48 63 ASN N N 119.268 0.020 1 476 49 64 ARG H H 7.563 0.009 1 477 49 64 ARG CA C 55.349 0.021 1 478 49 64 ARG N N 114.587 0.022 1 479 50 65 PRO HA H 3.847 0.011 1 480 50 65 PRO HB2 H 1.215 0.024 1 481 50 65 PRO HB3 H 1.150 0.019 1 482 50 65 PRO HD2 H 3.507 0.021 1 483 50 65 PRO HD3 H 3.060 0.012 1 484 50 65 PRO HG2 H 1.332 0.005 1 485 50 65 PRO HG3 H 1.332 0.005 1 486 50 65 PRO C C 176.599 0.007 1 487 50 65 PRO CA C 64.599 0.062 1 488 50 65 PRO CB C 32.946 0.067 1 489 50 65 PRO CD C 51.139 0.027 1 490 50 65 PRO CG C 28.602 0.065 1 491 51 66 THR H H 8.681 0.013 1 492 51 66 THR HA H 3.944 0.014 1 493 51 66 THR HB H 4.071 0.000 1 494 51 66 THR HG2 H 1.096 0.009 1 495 51 66 THR C C 177.407 0.038 1 496 51 66 THR CA C 63.399 0.054 1 497 51 66 THR CB C 69.865 0.061 1 498 51 66 THR CG2 C 23.691 0.020 1 499 51 66 THR N N 113.117 0.006 1 500 52 67 SER H H 7.296 0.005 1 501 52 67 SER HA H 4.533 0.012 1 502 52 67 SER HB2 H 3.623 0.012 1 503 52 67 SER HB3 H 3.623 0.012 1 504 52 67 SER C C 173.471 0.008 1 505 52 67 SER CA C 59.377 0.055 1 506 52 67 SER CB C 66.145 0.060 1 507 52 67 SER N N 113.979 0.014 1 508 53 68 ILE H H 8.394 0.012 1 509 53 68 ILE HA H 5.289 0.005 1 510 53 68 ILE HB H 1.725 0.012 1 511 53 68 ILE HD1 H 0.722 0.017 1 512 53 68 ILE HG12 H 1.632 0.013 1 513 53 68 ILE HG13 H 1.049 0.010 1 514 53 68 ILE HG2 H 0.511 0.005 1 515 53 68 ILE C C 175.641 0.034 1 516 53 68 ILE CA C 60.413 0.061 1 517 53 68 ILE CB C 43.111 0.068 1 518 53 68 ILE CD1 C 15.961 0.057 1 519 53 68 ILE CG1 C 26.845 0.046 1 520 53 68 ILE CG2 C 19.245 0.035 1 521 53 68 ILE N N 117.313 0.007 1 522 54 69 SER H H 8.582 0.006 1 523 54 69 SER HA H 4.115 0.005 1 524 54 69 SER HB2 H 3.609 0.015 1 525 54 69 SER HB3 H 3.609 0.015 1 526 54 69 SER C C 172.627 0.021 1 527 54 69 SER CA C 60.270 0.042 1 528 54 69 SER CB C 65.134 0.049 1 529 54 69 SER N N 112.691 0.009 1 530 55 70 TRP H H 6.595 0.008 1 531 55 70 TRP HA H 4.889 0.008 1 532 55 70 TRP HB2 H 3.352 0.011 1 533 55 70 TRP HB3 H 2.752 0.013 1 534 55 70 TRP C C 175.023 0.018 1 535 55 70 TRP CA C 57.946 0.025 1 536 55 70 TRP CB C 34.196 0.036 1 537 55 70 TRP N N 119.815 0.009 1 538 56 71 ASP H H 9.417 0.007 1 539 56 71 ASP HA H 4.191 0.014 1 540 56 71 ASP HB2 H 2.418 0.011 1 541 56 71 ASP HB3 H 2.225 0.014 1 542 56 71 ASP C C 176.160 0.026 1 543 56 71 ASP CA C 56.115 0.037 1 544 56 71 ASP CB C 41.483 0.070 1 545 56 71 ASP N N 124.514 0.014 1 546 57 72 GLY H H 8.251 0.008 1 547 57 72 GLY HA2 H 3.954 0.012 1 548 57 72 GLY HA3 H 3.443 0.013 1 549 57 72 GLY C C 176.355 0.044 1 550 57 72 GLY CA C 45.759 0.042 1 551 57 72 GLY N N 108.644 0.018 1 552 58 73 LEU H H 6.440 0.003 1 553 58 73 LEU HA H 3.303 0.010 1 554 58 73 LEU HB2 H 0.505 0.011 1 555 58 73 LEU HB3 H -0.118 0.016 1 556 58 73 LEU HD1 H 0.820 0.005 1 557 58 73 LEU HD2 H 0.176 0.009 1 558 58 73 LEU C C 175.568 0.019 1 559 58 73 LEU CA C 57.889 0.038 1 560 58 73 LEU CB C 42.628 0.050 1 561 58 73 LEU CD1 C 26.954 0.011 1 562 58 73 LEU CD2 C 26.906 0.044 1 563 58 73 LEU CG C 25.712 0.047 1 564 58 73 LEU N N 124.023 0.005 1 565 59 74 ASP H H 7.929 0.006 1 566 59 74 ASP HA H 4.923 0.015 1 567 59 74 ASP HB2 H 3.031 0.007 1 568 59 74 ASP HB3 H 2.481 0.016 1 569 59 74 ASP C C 177.697 0.039 1 570 59 74 ASP CA C 53.277 0.041 1 571 59 74 ASP CB C 44.037 0.017 1 572 59 74 ASP N N 127.821 0.048 1 573 60 75 SER H H 8.834 0.007 1 574 60 75 SER HA H 4.071 0.009 1 575 60 75 SER HB2 H 3.874 0.033 1 576 60 75 SER HB3 H 3.874 0.033 1 577 60 75 SER CA C 62.110 0.043 1 578 60 75 SER CB C 63.837 0.005 1 579 60 75 SER N N 122.487 0.007 1 580 61 76 GLY H H 9.125 0.007 1 581 61 76 GLY HA2 H 4.305 0.013 1 582 61 76 GLY HA3 H 3.624 0.013 1 583 61 76 GLY C C 175.439 0.005 1 584 61 76 GLY CA C 45.967 0.044 1 585 61 76 GLY N N 109.496 0.003 1 586 62 77 LYS H H 7.594 0.007 1 587 62 77 LYS HA H 4.411 0.015 1 588 62 77 LYS HB2 H 2.058 0.022 1 589 62 77 LYS HB3 H 1.562 0.035 1 590 62 77 LYS HD2 H 1.667 0.031 1 591 62 77 LYS HD3 H 1.667 0.031 1 592 62 77 LYS HE2 H 2.984 0.027 1 593 62 77 LYS HE3 H 2.984 0.027 1 594 62 77 LYS HG2 H 1.349 0.023 1 595 62 77 LYS HG3 H 1.310 0.034 1 596 62 77 LYS C C 175.116 0.018 1 597 62 77 LYS CA C 56.274 0.084 1 598 62 77 LYS CB C 36.492 0.055 1 599 62 77 LYS CD C 30.547 0.056 1 600 62 77 LYS CE C 43.279 0.028 1 601 62 77 LYS CG C 27.530 0.076 1 602 62 77 LYS N N 122.496 0.006 1 603 63 78 LEU H H 8.145 0.002 1 604 63 78 LEU HA H 5.391 0.011 1 605 63 78 LEU HB2 H 1.493 0.024 1 606 63 78 LEU HB3 H 0.893 0.011 1 607 63 78 LEU HD1 H 0.579 0.017 1 608 63 78 LEU HD2 H 0.581 0.019 1 609 63 78 LEU HG H 0.618 0.002 1 610 63 78 LEU C C 176.931 0.047 1 611 63 78 LEU CA C 53.438 0.029 1 612 63 78 LEU CB C 46.944 0.038 1 613 63 78 LEU CD1 C 24.288 0.054 1 614 63 78 LEU CD2 C 24.305 0.044 1 615 63 78 LEU CG C 27.145 0.076 1 616 63 78 LEU N N 119.884 0.014 1 617 64 79 TYR H H 9.479 0.008 1 618 64 79 TYR HA H 5.440 0.011 1 619 64 79 TYR HB2 H 2.903 0.002 1 620 64 79 TYR HB3 H 2.624 0.010 1 621 64 79 TYR C C 175.867 0.015 1 622 64 79 TYR CA C 58.481 0.064 1 623 64 79 TYR CB C 44.621 0.052 1 624 64 79 TYR N N 117.662 0.008 1 625 65 80 THR H H 9.365 0.011 1 626 65 80 THR HA H 5.368 0.011 1 627 65 80 THR HB H 4.095 0.010 1 628 65 80 THR HG2 H 1.271 0.004 1 629 65 80 THR C C 173.653 0.025 1 630 65 80 THR CA C 63.557 0.047 1 631 65 80 THR CB C 73.912 0.041 1 632 65 80 THR CG2 C 22.239 0.041 1 633 65 80 THR N N 118.755 0.012 1 634 66 81 LEU H H 9.569 0.007 1 635 66 81 LEU HA H 5.476 0.010 1 636 66 81 LEU HB2 H 1.843 0.041 1 637 66 81 LEU HB3 H 1.222 0.009 1 638 66 81 LEU HD1 H 1.053 0.002 1 639 66 81 LEU HD2 H 1.054 0.001 1 640 66 81 LEU HG H 0.970 0.015 1 641 66 81 LEU C C 175.481 0.006 1 642 66 81 LEU CA C 54.597 0.057 1 643 66 81 LEU CB C 48.799 0.058 1 644 66 81 LEU CD1 C 25.789 0.024 1 645 66 81 LEU CD2 C 25.749 0.033 1 646 66 81 LEU CG C 28.455 0.056 1 647 66 81 LEU N N 130.521 0.014 1 648 67 82 VAL H H 9.446 0.009 1 649 67 82 VAL HA H 5.242 0.012 1 650 67 82 VAL HB H 2.193 0.010 1 651 67 82 VAL HG1 H 1.233 0.002 1 652 67 82 VAL HG2 H 1.166 0.027 1 653 67 82 VAL C C 174.992 0.017 1 654 67 82 VAL CA C 61.393 0.071 1 655 67 82 VAL CB C 38.035 0.040 1 656 67 82 VAL CG1 C 22.516 0.042 1 657 67 82 VAL CG2 C 22.302 0.043 1 658 67 82 VAL N N 125.169 0.014 1 659 68 83 LEU H H 8.354 0.005 1 660 68 83 LEU HA H 5.351 0.014 1 661 68 83 LEU HB2 H 1.267 0.025 1 662 68 83 LEU HB3 H -0.129 0.006 1 663 68 83 LEU HG H 0.445 0.005 1 664 68 83 LEU C C 177.683 0.003 1 665 68 83 LEU CA C 54.863 0.047 1 666 68 83 LEU CB C 45.798 0.048 1 667 68 83 LEU CD1 C 21.085 0.023 1 668 68 83 LEU CD2 C 21.210 0.072 1 669 68 83 LEU CG C 27.358 0.054 1 670 68 83 LEU N N 125.944 0.027 1 671 69 84 THR H H 9.272 0.004 1 672 69 84 THR HA H 5.213 0.009 1 673 69 84 THR HB H 3.873 0.011 1 674 69 84 THR HG2 H 1.256 0.000 1 675 69 84 THR C C 170.640 0.067 1 676 69 84 THR CA C 61.495 0.063 1 677 69 84 THR CB C 73.438 0.035 1 678 69 84 THR CG2 C 21.872 0.031 1 679 69 84 THR N N 124.878 0.034 1 680 70 85 ASP H H 8.322 0.004 1 681 70 85 ASP HA H 5.899 0.009 1 682 70 85 ASP HB2 H 3.821 0.001 1 683 70 85 ASP HB3 H 2.781 0.022 1 684 70 85 ASP CA C 50.807 0.046 1 685 70 85 ASP CB C 44.067 0.064 1 686 70 85 ASP N N 126.617 0.009 1 687 71 86 PRO HA H 4.590 0.005 1 688 71 86 PRO HB2 H 1.985 0.000 1 689 71 86 PRO HB3 H 1.985 0.000 1 690 71 86 PRO HD2 H 3.899 0.003 1 691 71 86 PRO HD3 H 3.630 0.004 1 692 71 86 PRO C C 177.081 0.031 1 693 71 86 PRO CA C 64.430 0.039 1 694 71 86 PRO CB C 33.201 0.062 1 695 71 86 PRO CD C 51.297 0.041 1 696 71 86 PRO CG C 27.084 0.000 1 697 72 87 ASP H H 8.934 0.015 1 698 72 87 ASP HA H 4.490 0.011 1 699 72 87 ASP HB2 H 2.253 0.003 1 700 72 87 ASP HB3 H 2.253 0.003 1 701 72 87 ASP C C 181.175 0.000 1 702 72 87 ASP CA C 55.451 0.026 1 703 72 87 ASP CB C 41.948 0.042 1 704 72 87 ASP N N 129.847 0.011 1 705 73 88 ALA H H 5.676 0.005 1 706 73 88 ALA HA H 4.701 0.010 1 707 73 88 ALA HB H 1.394 0.007 1 708 73 88 ALA CA C 48.503 0.030 1 709 73 88 ALA CB C 23.592 0.066 1 710 73 88 ALA N N 117.212 0.008 1 711 74 89 PRO HA H 4.903 0.018 1 712 74 89 PRO HB2 H 2.438 0.010 1 713 74 89 PRO HB3 H 2.248 0.009 1 714 74 89 PRO HD2 H 3.058 0.010 1 715 74 89 PRO HD3 H 3.058 0.010 1 716 74 89 PRO HG2 H 2.043 0.008 1 717 74 89 PRO HG3 H 1.848 0.003 1 718 74 89 PRO C C 175.568 0.026 1 719 74 89 PRO CA C 65.938 0.092 1 720 74 89 PRO CB C 35.537 0.063 1 721 74 89 PRO CD C 51.155 0.017 1 722 74 89 PRO CG C 25.660 0.040 1 723 75 90 SER H H 6.604 0.007 1 724 75 90 SER HA H 4.129 0.005 1 725 75 90 SER HB2 H 4.052 0.024 1 726 75 90 SER HB3 H 3.601 0.012 1 727 75 90 SER C C 174.299 0.002 1 728 75 90 SER CA C 57.892 0.020 1 729 75 90 SER CB C 68.082 0.084 1 730 75 90 SER N N 111.021 0.002 1 731 76 91 ARG H H 8.945 0.010 1 732 76 91 ARG HA H 3.829 0.008 1 733 76 91 ARG HB2 H 1.766 0.003 1 734 76 91 ARG HB3 H 1.766 0.003 1 735 76 91 ARG HD2 H 3.094 0.010 1 736 76 91 ARG HD3 H 2.956 0.004 1 737 76 91 ARG HG2 H 1.796 0.004 1 738 76 91 ARG HG3 H 1.796 0.004 1 739 76 91 ARG C C 178.600 0.058 1 740 76 91 ARG CA C 59.822 0.034 1 741 76 91 ARG CB C 31.718 0.068 1 742 76 91 ARG CD C 45.723 0.023 1 743 76 91 ARG CG C 28.219 0.037 1 744 76 91 ARG N N 121.287 0.064 1 745 77 92 LYS H H 7.468 0.005 1 746 77 92 LYS HA H 4.028 0.007 1 747 77 92 LYS HB2 H 1.652 0.015 1 748 77 92 LYS HB3 H 1.652 0.015 1 749 77 92 LYS HD2 H 1.643 0.014 1 750 77 92 LYS HD3 H 1.643 0.014 1 751 77 92 LYS HE2 H 2.954 0.013 1 752 77 92 LYS HE3 H 2.954 0.013 1 753 77 92 LYS HG2 H 1.370 0.014 1 754 77 92 LYS HG3 H 1.370 0.014 1 755 77 92 LYS C C 177.636 0.040 1 756 77 92 LYS CA C 58.539 0.040 1 757 77 92 LYS CB C 33.911 0.029 1 758 77 92 LYS CD C 30.069 0.024 1 759 77 92 LYS CE C 43.142 0.022 1 760 77 92 LYS CG C 26.032 0.040 1 761 77 92 LYS N N 115.977 0.024 1 762 78 93 ASP H H 7.290 0.005 1 763 78 93 ASP HA H 4.809 0.012 1 764 78 93 ASP HB2 H 2.616 0.015 1 765 78 93 ASP HB3 H 2.194 0.014 1 766 78 93 ASP C C 177.584 0.000 1 767 78 93 ASP CA C 52.513 0.071 1 768 78 93 ASP CB C 41.839 0.038 1 769 78 93 ASP N N 117.015 0.023 1 770 79 94 PRO HA H 4.698 0.009 1 771 79 94 PRO HB2 H 2.027 0.010 1 772 79 94 PRO HB3 H 2.027 0.010 1 773 79 94 PRO HD2 H 3.265 0.006 1 774 79 94 PRO HD3 H 3.433 0.000 1 775 79 94 PRO HG2 H 1.923 0.003 1 776 79 94 PRO HG3 H 1.788 0.009 1 777 79 94 PRO C C 179.776 0.000 1 778 79 94 PRO CA C 64.478 0.079 1 779 79 94 PRO CB C 29.925 0.035 1 780 79 94 PRO CD C 50.026 0.050 1 781 79 94 PRO CG C 27.665 0.051 1 782 80 95 LYS H H 8.387 0.005 1 783 80 95 LYS HA H 3.943 0.013 1 784 80 95 LYS HB2 H 1.441 0.026 1 785 80 95 LYS HB3 H 1.299 0.007 1 786 80 95 LYS HD2 H 1.501 0.008 1 787 80 95 LYS HD3 H 1.454 0.018 1 788 80 95 LYS HE2 H 2.826 0.009 1 789 80 95 LYS HE3 H 2.826 0.009 1 790 80 95 LYS HG2 H 0.981 0.013 1 791 80 95 LYS HG3 H 0.808 0.008 1 792 80 95 LYS C C 178.595 0.044 1 793 80 95 LYS CA C 60.145 0.055 1 794 80 95 LYS CB C 34.205 0.034 1 795 80 95 LYS CD C 30.451 0.066 1 796 80 95 LYS CE C 42.752 0.060 1 797 80 95 LYS CG C 25.519 0.054 1 798 80 95 LYS N N 124.413 0.017 1 799 81 96 TYR H H 8.927 0.009 1 800 81 96 TYR HA H 5.065 0.013 1 801 81 96 TYR HB2 H 3.672 0.006 1 802 81 96 TYR HB3 H 2.669 0.028 1 803 81 96 TYR C C 175.933 0.008 1 804 81 96 TYR CA C 55.256 0.061 1 805 81 96 TYR CB C 38.851 0.047 1 806 81 96 TYR N N 117.466 0.012 1 807 82 97 ARG H H 7.652 0.005 1 808 82 97 ARG HA H 4.211 0.012 1 809 82 97 ARG HB2 H 1.991 0.017 1 810 82 97 ARG HB3 H 1.991 0.017 1 811 82 97 ARG HD2 H 3.635 0.012 1 812 82 97 ARG HD3 H 3.241 0.021 1 813 82 97 ARG HG2 H 1.680 0.000 1 814 82 97 ARG HG3 H 1.680 0.000 1 815 82 97 ARG C C 178.760 0.057 1 816 82 97 ARG CA C 53.225 0.020 1 817 82 97 ARG CB C 33.048 0.068 1 818 82 97 ARG CD C 44.586 0.034 1 819 82 97 ARG CG C 28.256 0.021 1 820 82 97 ARG N N 121.938 0.029 1 821 83 98 GLU H H 9.643 0.011 1 822 83 98 GLU HA H 4.713 0.015 1 823 83 98 GLU HB2 H 2.151 0.031 1 824 83 98 GLU HB3 H 2.151 0.031 1 825 83 98 GLU HG2 H 2.662 0.001 1 826 83 98 GLU HG3 H 2.662 0.001 1 827 83 98 GLU C C 175.777 0.016 1 828 83 98 GLU CA C 59.383 0.034 1 829 83 98 GLU CB C 31.503 0.051 1 830 83 98 GLU CG C 36.391 0.032 1 831 83 98 GLU N N 128.733 0.017 1 832 84 99 TRP H H 8.991 0.009 1 833 84 99 TRP HA H 5.130 0.023 1 834 84 99 TRP HB2 H 4.040 0.007 1 835 84 99 TRP HB3 H 2.737 0.007 1 836 84 99 TRP C C 178.060 0.064 1 837 84 99 TRP CA C 59.011 0.073 1 838 84 99 TRP CB C 33.374 0.057 1 839 84 99 TRP N N 125.537 0.007 1 840 85 100 HIS H H 8.033 0.007 1 841 85 100 HIS HA H 5.234 0.037 1 842 85 100 HIS HB2 H 2.490 0.005 1 843 85 100 HIS HB3 H 2.490 0.005 1 844 85 100 HIS C C 173.137 0.002 1 845 85 100 HIS CA C 56.892 0.034 1 846 85 100 HIS CB C 31.654 0.071 1 847 85 100 HIS N N 126.060 0.037 1 848 86 101 HIS H H 8.875 0.008 1 849 86 101 HIS HB2 H 2.475 0.006 1 850 86 101 HIS HB3 H 2.475 0.006 1 851 86 101 HIS C C 175.858 0.004 1 852 86 101 HIS CA C 60.070 0.033 1 853 86 101 HIS CB C 31.898 0.021 1 854 86 101 HIS N N 122.309 0.038 1 855 87 102 PHE H H 7.742 0.008 1 856 87 102 PHE HA H 5.226 0.009 1 857 87 102 PHE HB2 H 3.267 0.014 1 858 87 102 PHE HB3 H 3.069 0.019 1 859 87 102 PHE C C 174.101 0.027 1 860 87 102 PHE CA C 55.354 0.036 1 861 87 102 PHE CB C 44.284 0.049 1 862 87 102 PHE N N 119.731 0.020 1 863 88 103 LEU H H 8.386 0.020 1 864 88 103 LEU HA H 5.211 0.035 1 865 88 103 LEU HB2 H 1.882 0.009 1 866 88 103 LEU HB3 H 1.131 0.020 1 867 88 103 LEU HD1 H 0.429 0.007 1 868 88 103 LEU HD2 H 0.375 0.012 1 869 88 103 LEU HG H 1.210 0.011 1 870 88 103 LEU C C 174.590 0.019 1 871 88 103 LEU CA C 56.759 0.042 1 872 88 103 LEU CB C 46.871 0.067 1 873 88 103 LEU CD1 C 24.752 0.046 1 874 88 103 LEU CD2 C 26.419 0.067 1 875 88 103 LEU CG C 28.972 0.073 1 876 88 103 LEU N N 130.023 0.029 1 877 89 104 VAL H H 9.239 0.008 1 878 89 104 VAL HA H 4.804 0.008 1 879 89 104 VAL HB H 1.865 0.010 1 880 89 104 VAL HG1 H 0.862 0.010 1 881 89 104 VAL HG2 H 0.196 0.006 1 882 89 104 VAL C C 175.322 0.008 1 883 89 104 VAL CA C 61.826 0.069 1 884 89 104 VAL CB C 36.947 0.057 1 885 89 104 VAL CG1 C 23.289 0.047 1 886 89 104 VAL CG2 C 22.659 0.023 1 887 89 104 VAL N N 131.203 0.018 1 888 90 105 VAL H H 8.678 0.006 1 889 90 105 VAL HA H 5.359 0.006 1 890 90 105 VAL HB H 2.017 0.008 1 891 90 105 VAL HG1 H 1.074 0.009 1 892 90 105 VAL HG2 H 0.874 0.008 1 893 90 105 VAL C C 176.521 0.010 1 894 90 105 VAL CA C 59.840 0.076 1 895 90 105 VAL CB C 36.997 0.068 1 896 90 105 VAL CG1 C 22.214 0.032 1 897 90 105 VAL CG2 C 19.265 0.034 1 898 90 105 VAL N N 116.873 0.018 1 899 91 106 ASN H H 9.356 0.016 1 900 91 106 ASN HA H 3.993 0.007 1 901 91 106 ASN HB2 H 3.448 0.011 1 902 91 106 ASN HB3 H 3.129 0.008 1 903 91 106 ASN C C 174.531 0.000 1 904 91 106 ASN CA C 55.556 0.051 1 905 91 106 ASN CB C 37.307 0.057 1 906 91 106 ASN N N 116.192 0.004 1 907 92 107 MET H H 9.316 0.006 1 908 92 107 MET HA H 3.874 0.008 1 909 92 107 MET HB2 H 2.398 0.022 1 910 92 107 MET HB3 H 1.503 0.004 1 911 92 107 MET HG2 H 2.366 0.023 1 912 92 107 MET HG3 H 2.149 0.017 1 913 92 107 MET C C 176.127 0.021 1 914 92 107 MET CA C 57.599 0.062 1 915 92 107 MET CB C 35.355 0.032 1 916 92 107 MET CG C 30.576 0.041 1 917 92 107 MET N N 120.521 0.008 1 918 93 108 LYS H H 8.537 0.010 1 919 93 108 LYS HA H 4.637 0.009 1 920 93 108 LYS HB2 H 1.910 0.006 1 921 93 108 LYS HB3 H 1.866 0.027 1 922 93 108 LYS HD2 H 1.737 0.002 1 923 93 108 LYS HD3 H 1.701 0.021 1 924 93 108 LYS HE2 H 3.034 0.011 1 925 93 108 LYS HE3 H 3.034 0.011 1 926 93 108 LYS HG2 H 1.432 0.018 1 927 93 108 LYS HG3 H 1.387 0.021 1 928 93 108 LYS C C 178.764 0.046 1 929 93 108 LYS CA C 56.905 0.036 1 930 93 108 LYS CB C 32.733 0.051 1 931 93 108 LYS CD C 30.581 0.051 1 932 93 108 LYS CE C 43.212 0.069 1 933 93 108 LYS CG C 25.931 0.068 1 934 93 108 LYS N N 127.744 0.016 1 935 94 109 GLY H H 9.019 0.005 1 936 94 109 GLY HA2 H 3.850 0.010 1 937 94 109 GLY HA3 H 3.661 0.005 1 938 94 109 GLY C C 171.084 0.050 1 939 94 109 GLY CA C 49.241 0.021 1 940 94 109 GLY N N 118.895 0.006 1 941 95 110 ASN H H 7.735 0.007 1 942 95 110 ASN HA H 4.729 0.016 1 943 95 110 ASN HB2 H 3.273 0.005 1 944 95 110 ASN HB3 H 1.930 0.004 1 945 95 110 ASN C C 176.622 0.046 1 946 95 110 ASN CA C 51.758 0.033 1 947 95 110 ASN CB C 38.726 0.031 1 948 95 110 ASN N N 119.468 0.031 1 949 96 111 ASP H H 7.889 0.007 1 950 96 111 ASP HA H 4.769 0.015 1 951 96 111 ASP HB2 H 3.208 0.017 1 952 96 111 ASP HB3 H 2.703 0.026 1 953 96 111 ASP C C 178.130 0.019 1 954 96 111 ASP CA C 53.440 0.044 1 955 96 111 ASP CB C 40.382 0.076 1 956 96 111 ASP N N 117.496 0.012 1 957 97 112 ILE H H 8.265 0.008 1 958 97 112 ILE HA H 3.722 0.005 1 959 97 112 ILE HB H 1.824 0.007 1 960 97 112 ILE HD1 H 0.768 0.003 1 961 97 112 ILE HG12 H 1.780 0.015 1 962 97 112 ILE HG13 H 1.031 0.006 1 963 97 112 ILE HG2 H 1.025 0.002 1 964 97 112 ILE C C 178.514 0.026 1 965 97 112 ILE CA C 66.983 0.050 1 966 97 112 ILE CB C 39.504 0.053 1 967 97 112 ILE CD1 C 14.267 0.052 1 968 97 112 ILE CG1 C 29.926 0.022 1 969 97 112 ILE CG2 C 18.794 0.047 1 970 97 112 ILE N N 130.357 0.009 1 971 98 113 SER H H 8.053 0.006 1 972 98 113 SER HA H 4.399 0.009 1 973 98 113 SER HB2 H 4.030 0.003 1 974 98 113 SER HB3 H 4.006 0.018 1 975 98 113 SER C C 175.695 0.019 1 976 98 113 SER CA C 61.757 0.054 1 977 98 113 SER CB C 64.552 0.046 1 978 98 113 SER N N 113.716 0.019 1 979 99 114 SER H H 7.841 0.003 1 980 99 114 SER HA H 4.482 0.012 1 981 99 114 SER HB2 H 4.139 0.001 1 982 99 114 SER HB3 H 4.052 0.040 1 983 99 114 SER C C 176.564 0.030 1 984 99 114 SER CA C 60.618 0.049 1 985 99 114 SER CB C 66.423 0.047 1 986 99 114 SER N N 117.809 0.007 1 987 100 115 GLY H H 7.691 0.006 1 988 100 115 GLY HA2 H 4.304 0.011 1 989 100 115 GLY HA3 H 3.340 0.007 1 990 100 115 GLY C C 173.971 0.001 1 991 100 115 GLY CA C 45.366 0.028 1 992 100 115 GLY N N 107.965 0.015 1 993 101 116 THR H H 9.321 0.007 1 994 101 116 THR HA H 4.397 0.008 1 995 101 116 THR HB H 4.010 0.003 1 996 101 116 THR HG2 H 1.086 0.007 1 997 101 116 THR C C 174.354 0.000 1 998 101 116 THR CA C 63.538 0.057 1 999 101 116 THR CB C 71.034 0.061 1 1000 101 116 THR CG2 C 21.917 0.058 1 1001 101 116 THR N N 118.700 0.020 1 1002 102 117 VAL H H 8.987 0.007 1 1003 102 117 VAL HA H 3.916 0.012 1 1004 102 117 VAL HB H 2.140 0.011 1 1005 102 117 VAL HG1 H 1.074 0.044 1 1006 102 117 VAL HG2 H 0.983 0.026 1 1007 102 117 VAL C C 176.712 0.044 1 1008 102 117 VAL CA C 64.153 0.063 1 1009 102 117 VAL CB C 32.044 0.056 1 1010 102 117 VAL CG1 C 22.562 0.061 1 1011 102 117 VAL CG2 C 21.998 0.055 1 1012 102 117 VAL N N 130.290 0.019 1 1013 103 118 LEU H H 8.386 0.006 1 1014 103 118 LEU HA H 4.478 0.011 1 1015 103 118 LEU HB2 H 1.787 0.009 1 1016 103 118 LEU HB3 H 1.468 0.013 1 1017 103 118 LEU HD1 H 0.938 0.007 1 1018 103 118 LEU HD2 H 0.679 0.009 1 1019 103 118 LEU HG H 1.482 0.028 1 1020 103 118 LEU C C 177.449 0.046 1 1021 103 118 LEU CA C 57.714 0.047 1 1022 103 118 LEU CB C 42.727 0.078 1 1023 103 118 LEU CD1 C 27.562 0.056 1 1024 103 118 LEU CD2 C 23.938 0.062 1 1025 103 118 LEU CG C 30.456 0.073 1 1026 103 118 LEU N N 132.282 0.018 1 1027 104 119 SER H H 7.701 0.010 1 1028 104 119 SER HA H 5.182 0.009 1 1029 104 119 SER HB2 H 3.495 0.008 1 1030 104 119 SER HB3 H 3.218 0.012 1 1031 104 119 SER C C 174.779 0.026 1 1032 104 119 SER CA C 56.940 0.057 1 1033 104 119 SER CB C 63.939 0.059 1 1034 104 119 SER N N 111.586 0.027 1 1035 105 120 ASP H H 8.101 0.006 1 1036 105 120 ASP HA H 4.792 0.011 1 1037 105 120 ASP HB2 H 2.910 0.010 1 1038 105 120 ASP HB3 H 2.477 0.017 1 1039 105 120 ASP C C 177.427 0.057 1 1040 105 120 ASP CA C 55.231 0.044 1 1041 105 120 ASP CB C 41.568 0.048 1 1042 105 120 ASP N N 124.069 0.022 1 1043 106 121 TYR H H 8.968 0.002 1 1044 106 121 TYR HA H 3.989 0.010 1 1045 106 121 TYR HB2 H 2.767 0.017 1 1046 106 121 TYR HB3 H 1.773 0.011 1 1047 106 121 TYR C C 175.367 0.005 1 1048 106 121 TYR CA C 62.321 0.050 1 1049 106 121 TYR CB C 39.906 0.026 1 1050 106 121 TYR N N 123.551 0.005 1 1051 107 122 VAL H H 7.659 0.009 1 1052 107 122 VAL HA H 3.908 0.012 1 1053 107 122 VAL HB H 1.837 0.024 1 1054 107 122 VAL HG1 H 1.285 0.015 1 1055 107 122 VAL HG2 H 0.973 0.005 1 1056 107 122 VAL C C 176.918 0.033 1 1057 107 122 VAL CA C 62.517 0.053 1 1058 107 122 VAL CB C 37.045 0.071 1 1059 107 122 VAL CG1 C 23.424 0.022 1 1060 107 122 VAL CG2 C 23.199 0.066 1 1061 107 122 VAL N N 130.938 0.015 1 1062 108 123 GLY H H 8.082 0.004 1 1063 108 123 GLY HA2 H 3.876 0.015 1 1064 108 123 GLY HA3 H 3.649 0.030 1 1065 108 123 GLY C C 174.244 0.045 1 1066 108 123 GLY CA C 45.345 0.031 1 1067 108 123 GLY N N 114.168 0.020 1 1068 109 124 SER H H 6.653 0.009 1 1069 109 124 SER HA H 3.401 0.041 1 1070 109 124 SER HB2 H 3.113 0.032 1 1071 109 124 SER HB3 H 2.807 0.019 1 1072 109 124 SER CA C 62.081 0.050 1 1073 109 124 SER CB C 65.921 0.063 1 1074 109 124 SER N N 112.491 0.043 1 1075 110 125 GLY H H 9.159 0.083 1 1076 110 125 GLY HA2 H 4.560 0.001 1 1077 110 125 GLY HA3 H 4.560 0.001 1 1078 110 125 GLY CA C 48.251 0.036 1 1079 110 125 GLY N N 113.160 0.100 1 1080 112 127 PRO HA H 4.578 0.008 1 1081 112 127 PRO HB2 H 1.945 0.003 1 1082 112 127 PRO HB3 H 1.945 0.003 1 1083 112 127 PRO HD2 H 2.466 0.012 1 1084 112 127 PRO HD3 H 2.466 0.012 1 1085 112 127 PRO C C 179.779 0.060 1 1086 112 127 PRO CA C 63.743 0.074 1 1087 112 127 PRO CB C 33.202 0.075 1 1088 113 128 LYS H H 9.096 0.014 1 1089 113 128 LYS HA H 3.511 0.009 1 1090 113 128 LYS HB2 H 1.185 0.015 1 1091 113 128 LYS HB3 H 0.081 0.016 1 1092 113 128 LYS HD2 H 0.767 0.011 1 1093 113 128 LYS HD3 H 0.309 0.006 1 1094 113 128 LYS HE2 H 2.033 0.008 1 1095 113 128 LYS HE3 H 1.965 0.002 1 1096 113 128 LYS HG2 H 0.788 0.007 1 1097 113 128 LYS HG3 H 0.310 0.021 1 1098 113 128 LYS C C 178.539 0.038 1 1099 113 128 LYS CA C 59.942 0.054 1 1100 113 128 LYS CB C 32.918 0.048 1 1101 113 128 LYS CD C 29.843 0.027 1 1102 113 128 LYS CE C 42.337 0.051 1 1103 113 128 LYS CG C 25.877 0.041 1 1104 113 128 LYS N N 130.981 0.005 1 1105 114 129 GLY H H 9.059 0.006 1 1106 114 129 GLY HA2 H 4.218 0.010 1 1107 114 129 GLY HA3 H 3.817 0.010 1 1108 114 129 GLY C C 176.735 0.043 1 1109 114 129 GLY CA C 46.703 0.047 1 1110 114 129 GLY N N 114.591 0.013 1 1111 115 130 THR H H 7.535 0.003 1 1112 115 130 THR HA H 4.543 0.008 1 1113 115 130 THR HB H 4.818 0.007 1 1114 115 130 THR HG2 H 1.239 0.008 1 1115 115 130 THR C C 175.640 0.012 1 1116 115 130 THR CA C 63.069 0.047 1 1117 115 130 THR CB C 72.261 0.051 1 1118 115 130 THR CG2 C 22.805 0.029 1 1119 115 130 THR N N 107.417 0.021 1 1120 116 131 GLY H H 8.518 0.007 1 1121 116 131 GLY HA2 H 4.142 0.014 1 1122 116 131 GLY HA3 H 3.950 0.011 1 1123 116 131 GLY C C 174.969 0.020 1 1124 116 131 GLY CA C 46.115 0.051 1 1125 116 131 GLY N N 112.142 0.010 1 1126 117 132 LEU H H 8.578 0.008 1 1127 117 132 LEU HA H 4.308 0.015 1 1128 117 132 LEU HB2 H 1.749 0.036 1 1129 117 132 LEU HB3 H 1.078 0.012 1 1130 117 132 LEU HD1 H 0.815 0.002 1 1131 117 132 LEU HD2 H 0.813 0.008 1 1132 117 132 LEU HG H 1.692 0.047 1 1133 117 132 LEU C C 180.744 0.069 1 1134 117 132 LEU CA C 56.482 0.016 1 1135 117 132 LEU CB C 44.209 0.051 1 1136 117 132 LEU CD1 C 26.692 0.027 1 1137 117 132 LEU CD2 C 24.631 0.040 1 1138 117 132 LEU CG C 27.950 0.026 1 1139 117 132 LEU N N 119.431 0.021 1 1140 118 133 HIS H H 9.179 0.009 1 1141 118 133 HIS HA H 4.863 0.020 1 1142 118 133 HIS HB2 H 3.127 0.011 1 1143 118 133 HIS HB3 H 3.127 0.011 1 1144 118 133 HIS C C 174.894 0.038 1 1145 118 133 HIS CA C 54.595 0.035 1 1146 118 133 HIS CB C 31.105 0.052 1 1147 118 133 HIS N N 126.448 0.006 1 1148 119 134 ARG H H 9.204 0.007 1 1149 119 134 ARG HA H 3.795 0.017 1 1150 119 134 ARG HB2 H 1.776 0.011 1 1151 119 134 ARG HB3 H 1.066 0.010 1 1152 119 134 ARG HD2 H 3.228 0.000 1 1153 119 134 ARG HD3 H 3.228 0.000 1 1154 119 134 ARG HG2 H 1.989 0.001 1 1155 119 134 ARG HG3 H 1.989 0.001 1 1156 119 134 ARG C C 172.781 0.020 1 1157 119 134 ARG CA C 57.072 0.053 1 1158 119 134 ARG CB C 31.905 0.060 1 1159 119 134 ARG CD C 45.251 0.033 1 1160 119 134 ARG CG C 26.191 0.067 1 1161 119 134 ARG N N 122.716 0.016 1 1162 120 135 TYR H H 8.513 0.013 1 1163 120 135 TYR HA H 4.378 0.012 1 1164 120 135 TYR HB2 H 1.845 0.010 1 1165 120 135 TYR HB3 H 0.857 0.021 1 1166 120 135 TYR C C 175.626 0.015 1 1167 120 135 TYR CA C 58.434 0.031 1 1168 120 135 TYR CB C 39.245 0.043 1 1169 120 135 TYR N N 118.363 0.016 1 1170 121 136 VAL H H 8.882 0.007 1 1171 121 136 VAL HA H 4.524 0.009 1 1172 121 136 VAL HB H 2.106 0.029 1 1173 121 136 VAL HG1 H 1.117 0.005 1 1174 121 136 VAL HG2 H 0.757 0.004 1 1175 121 136 VAL C C 176.348 0.065 1 1176 121 136 VAL CA C 63.428 0.063 1 1177 121 136 VAL CB C 34.495 0.057 1 1178 121 136 VAL CG1 C 23.827 0.038 1 1179 121 136 VAL CG2 C 23.312 0.025 1 1180 121 136 VAL N N 124.671 0.009 1 1181 122 137 TRP H H 8.580 0.005 1 1182 122 137 TRP HA H 5.859 0.008 1 1183 122 137 TRP HB2 H 3.061 0.016 1 1184 122 137 TRP HB3 H 2.937 0.004 1 1185 122 137 TRP C C 177.606 0.023 1 1186 122 137 TRP CA C 56.623 0.055 1 1187 122 137 TRP CB C 35.705 0.055 1 1188 122 137 TRP N N 128.691 0.042 1 1189 123 138 LEU H H 9.683 0.008 1 1190 123 138 LEU HA H 5.090 0.010 1 1191 123 138 LEU HB2 H 1.768 0.040 1 1192 123 138 LEU HB3 H 1.345 0.013 1 1193 123 138 LEU HD1 H 1.223 0.006 1 1194 123 138 LEU HD2 H 1.129 0.021 1 1195 123 138 LEU HG H 1.835 0.057 1 1196 123 138 LEU C C 175.310 0.009 1 1197 123 138 LEU CA C 55.533 0.055 1 1198 123 138 LEU CB C 50.019 0.047 1 1199 123 138 LEU CD1 C 28.823 0.045 1 1200 123 138 LEU CD2 C 26.108 0.060 1 1201 123 138 LEU N N 122.431 0.008 1 1202 124 139 VAL H H 8.150 0.003 1 1203 124 139 VAL HA H 5.246 0.010 1 1204 124 139 VAL HB H 0.891 0.018 1 1205 124 139 VAL HG1 H 0.245 0.007 1 1206 124 139 VAL HG2 H 0.078 0.011 1 1207 124 139 VAL C C 176.143 0.022 1 1208 124 139 VAL CA C 60.984 0.059 1 1209 124 139 VAL CB C 35.419 0.047 1 1210 124 139 VAL CG1 C 23.816 0.040 1 1211 124 139 VAL CG2 C 23.083 0.052 1 1212 124 139 VAL N N 119.200 0.013 1 1213 125 140 TYR H H 9.605 0.007 1 1214 125 140 TYR HA H 4.778 0.014 1 1215 125 140 TYR HB2 H 3.055 0.035 1 1216 125 140 TYR HB3 H 2.662 0.077 1 1217 125 140 TYR C C 176.589 0.014 1 1218 125 140 TYR CA C 58.112 0.043 1 1219 125 140 TYR CB C 43.959 0.044 1 1220 125 140 TYR N N 125.719 0.007 1 1221 126 141 GLU H H 9.036 0.006 1 1222 126 141 GLU HA H 4.530 0.019 1 1223 126 141 GLU HB2 H 2.131 0.018 1 1224 126 141 GLU HB3 H 2.131 0.018 1 1225 126 141 GLU HG2 H 2.202 0.032 1 1226 126 141 GLU HG3 H 2.202 0.032 1 1227 126 141 GLU C C 176.049 0.023 1 1228 126 141 GLU CA C 57.500 0.079 1 1229 126 141 GLU CB C 33.047 0.077 1 1230 126 141 GLU CG C 37.216 0.094 1 1231 126 141 GLU N N 124.678 0.008 1 1232 127 142 GLN H H 8.562 0.005 1 1233 127 142 GLN HA H 4.582 0.008 1 1234 127 142 GLN HB2 H 2.365 0.025 1 1235 127 142 GLN HB3 H 1.706 0.002 1 1236 127 142 GLN HE22 H 7.990 0.454 1 1237 127 142 GLN HG2 H 2.267 0.020 1 1238 127 142 GLN HG3 H 2.267 0.020 1 1239 127 142 GLN C C 177.491 0.030 1 1240 127 142 GLN CA C 55.483 0.051 1 1241 127 142 GLN CB C 31.752 0.003 1 1242 127 142 GLN CG C 35.608 0.027 1 1243 127 142 GLN N N 123.343 0.011 1 1244 128 143 ASP H H 8.902 0.007 1 1245 128 143 ASP HA H 4.751 0.013 1 1246 128 143 ASP HB2 H 2.791 0.015 1 1247 128 143 ASP HB3 H 2.615 0.024 1 1248 128 143 ASP C C 176.139 0.008 1 1249 128 143 ASP CA C 55.750 0.064 1 1250 128 143 ASP CB C 42.729 0.029 1 1251 128 143 ASP N N 120.966 0.008 1 1252 129 144 ARG H H 7.850 0.005 1 1253 129 144 ARG HA H 4.836 0.003 1 1254 129 144 ARG HB2 H 1.969 0.004 1 1255 129 144 ARG HB3 H 1.771 0.005 1 1256 129 144 ARG HD2 H 3.205 0.000 1 1257 129 144 ARG HD3 H 3.205 0.000 1 1258 129 144 ARG HG2 H 1.527 0.011 1 1259 129 144 ARG HG3 H 1.400 0.001 1 1260 129 144 ARG CA C 54.780 0.055 1 1261 129 144 ARG CB C 30.549 0.070 1 1262 129 144 ARG CD C 44.280 0.002 1 1263 129 144 ARG CG C 26.010 0.071 1 1264 129 144 ARG N N 117.180 0.003 1 1265 130 145 PRO HA H 4.035 0.007 1 1266 130 145 PRO HB2 H 2.123 0.013 1 1267 130 145 PRO HB3 H 1.705 0.029 1 1268 130 145 PRO HD2 H 3.700 0.009 1 1269 130 145 PRO HD3 H 3.545 0.008 1 1270 130 145 PRO HG2 H 2.025 0.002 1 1271 130 145 PRO HG3 H 1.826 0.006 1 1272 130 145 PRO C C 177.192 0.005 1 1273 130 145 PRO CA C 64.207 0.044 1 1274 130 145 PRO CB C 32.580 0.054 1 1275 130 145 PRO CD C 51.724 0.043 1 1276 130 145 PRO CG C 28.828 0.063 1 1277 131 146 LEU H H 9.528 0.007 1 1278 131 146 LEU HA H 4.471 0.008 1 1279 131 146 LEU HB2 H 1.413 0.007 1 1280 131 146 LEU HB3 H 1.132 0.009 1 1281 131 146 LEU HD1 H 0.831 0.010 1 1282 131 146 LEU HD2 H 0.502 0.002 1 1283 131 146 LEU HG H 1.713 0.005 1 1284 131 146 LEU C C 178.435 0.054 1 1285 131 146 LEU CA C 55.145 0.044 1 1286 131 146 LEU CB C 45.506 0.042 1 1287 131 146 LEU CD1 C 23.972 0.021 1 1288 131 146 LEU CD2 C 25.732 0.069 1 1289 131 146 LEU CG C 28.136 0.061 1 1290 131 146 LEU N N 125.257 0.011 1 1291 132 147 LYS H H 8.532 0.010 1 1292 132 147 LYS HA H 4.491 0.012 1 1293 132 147 LYS HB2 H 1.813 0.008 1 1294 132 147 LYS HB3 H 1.623 0.010 1 1295 132 147 LYS HD2 H 1.684 0.022 1 1296 132 147 LYS HD3 H 1.684 0.022 1 1297 132 147 LYS HE2 H 2.963 0.014 1 1298 132 147 LYS HE3 H 2.963 0.014 1 1299 132 147 LYS HG2 H 1.323 0.018 1 1300 132 147 LYS HG3 H 1.286 0.029 1 1301 132 147 LYS C C 176.456 0.051 1 1302 132 147 LYS CA C 56.520 0.039 1 1303 132 147 LYS CB C 33.644 0.025 1 1304 132 147 LYS CD C 30.224 0.012 1 1305 132 147 LYS CE C 43.087 0.001 1 1306 132 147 LYS CG C 25.806 0.071 1 1307 132 147 LYS N N 126.299 0.039 1 1308 133 148 CYS H H 8.737 0.008 1 1309 133 148 CYS HA H 4.856 0.006 1 1310 133 148 CYS HB2 H 3.782 0.007 1 1311 133 148 CYS HB3 H 2.398 0.023 1 1312 133 148 CYS C C 177.118 0.030 1 1313 133 148 CYS CA C 60.289 0.088 1 1314 133 148 CYS CB C 30.760 0.064 1 1315 133 148 CYS N N 125.625 0.014 1 1316 134 149 ASP H H 8.196 0.007 1 1317 134 149 ASP HA H 4.643 0.021 1 1318 134 149 ASP HB2 H 2.912 0.025 1 1319 134 149 ASP HB3 H 2.565 0.021 1 1320 134 149 ASP C C 176.598 0.067 1 1321 134 149 ASP CA C 54.130 0.057 1 1322 134 149 ASP CB C 41.252 0.011 1 1323 134 149 ASP N N 122.220 0.029 1 1324 135 150 GLU H H 8.771 0.010 1 1325 135 150 GLU HA H 4.114 0.006 1 1326 135 150 GLU HB2 H 2.038 0.007 1 1327 135 150 GLU HB3 H 2.038 0.007 1 1328 135 150 GLU CA C 58.539 0.024 1 1329 135 150 GLU CB C 29.683 0.066 1 1330 135 150 GLU N N 126.511 0.019 1 1331 136 151 PRO HA H 4.291 0.008 1 1332 136 151 PRO HB2 H 2.019 0.012 1 1333 136 151 PRO HB3 H 1.606 0.017 1 1334 136 151 PRO HD2 H 3.624 0.016 1 1335 136 151 PRO HD3 H 3.513 0.036 1 1336 136 151 PRO HG2 H 1.825 0.039 1 1337 136 151 PRO HG3 H 1.714 0.072 1 1338 136 151 PRO C C 175.351 0.017 1 1339 136 151 PRO CA C 63.035 0.069 1 1340 136 151 PRO CB C 32.885 0.071 1 1341 136 151 PRO CD C 50.915 0.051 1 1342 136 151 PRO CG C 27.818 0.060 1 1343 137 152 ILE H H 7.936 0.006 1 1344 137 152 ILE HA H 4.820 0.013 1 1345 137 152 ILE HB H 1.907 0.016 1 1346 137 152 ILE HD1 H 0.823 0.004 1 1347 137 152 ILE HG12 H 1.474 0.011 1 1348 137 152 ILE HG13 H 1.474 0.011 1 1349 137 152 ILE HG2 H 0.862 0.009 1 1350 137 152 ILE C C 178.680 0.050 1 1351 137 152 ILE CA C 60.158 0.040 1 1352 137 152 ILE CB C 37.081 0.048 1 1353 137 152 ILE CD1 C 12.287 0.041 1 1354 137 152 ILE CG1 C 28.341 0.034 1 1355 137 152 ILE CG2 C 18.843 0.036 1 1356 137 152 ILE N N 119.634 0.003 1 1357 138 153 LEU H H 9.420 0.007 1 1358 138 153 LEU HA H 4.831 0.006 1 1359 138 153 LEU HB2 H 1.812 0.013 1 1360 138 153 LEU HB3 H 1.751 0.020 1 1361 138 153 LEU HD1 H 0.818 0.020 1 1362 138 153 LEU HD2 H 0.717 0.025 1 1363 138 153 LEU HG H 1.786 0.003 1 1364 138 153 LEU C C 178.795 0.047 1 1365 138 153 LEU CA C 54.703 0.058 1 1366 138 153 LEU CB C 43.129 0.068 1 1367 138 153 LEU CD1 C 26.888 0.076 1 1368 138 153 LEU CD2 C 23.314 0.040 1 1369 138 153 LEU CG C 27.456 0.048 1 1370 138 153 LEU N N 130.046 0.023 1 1371 139 154 SER H H 8.829 0.003 1 1372 139 154 SER HA H 4.768 0.009 1 1373 139 154 SER HB2 H 4.230 0.024 1 1374 139 154 SER HB3 H 4.002 0.010 1 1375 139 154 SER C C 175.419 0.011 1 1376 139 154 SER CA C 58.135 0.034 1 1377 139 154 SER CB C 66.230 0.067 1 1378 139 154 SER N N 122.930 0.036 1 1379 140 155 ASN H H 8.618 0.006 1 1380 140 155 ASN HA H 4.466 0.007 1 1381 140 155 ASN HB2 H 3.176 0.003 1 1382 140 155 ASN HB3 H 2.145 0.003 1 1383 140 155 ASN C C 175.420 0.012 1 1384 140 155 ASN CA C 52.130 0.037 1 1385 140 155 ASN CB C 38.752 0.051 1 1386 140 155 ASN N N 117.049 0.010 1 1387 141 156 ARG H H 7.967 0.006 1 1388 141 156 ARG HA H 4.703 0.013 1 1389 141 156 ARG HB2 H 2.250 0.006 1 1390 141 156 ARG HB3 H 1.536 0.010 1 1391 141 156 ARG HD2 H 3.224 0.007 1 1392 141 156 ARG HD3 H 3.224 0.007 1 1393 141 156 ARG HG2 H 1.763 0.002 1 1394 141 156 ARG HG3 H 1.763 0.002 1 1395 141 156 ARG C C 175.310 0.034 1 1396 141 156 ARG CA C 55.816 0.049 1 1397 141 156 ARG CB C 31.445 0.030 1 1398 141 156 ARG CD C 44.226 0.036 1 1399 141 156 ARG CG C 28.324 0.022 1 1400 141 156 ARG N N 115.402 0.016 1 1401 142 157 SER H H 6.943 0.004 1 1402 142 157 SER HA H 4.923 0.010 1 1403 142 157 SER HB2 H 3.897 0.015 1 1404 142 157 SER HB3 H 3.478 0.010 1 1405 142 157 SER C C 176.249 0.023 1 1406 142 157 SER CA C 57.794 0.025 1 1407 142 157 SER CB C 66.231 0.074 1 1408 142 157 SER N N 110.055 0.003 1 1409 143 158 GLY H H 8.898 0.010 1 1410 143 158 GLY HA2 H 4.351 0.003 1 1411 143 158 GLY HA3 H 3.954 0.014 1 1412 143 158 GLY C C 175.287 0.020 1 1413 143 158 GLY CA C 45.944 0.022 1 1414 143 158 GLY N N 115.315 0.012 1 1415 144 159 ASP H H 8.304 0.006 1 1416 144 159 ASP HA H 4.197 0.018 1 1417 144 159 ASP HB2 H 2.496 0.018 1 1418 144 159 ASP HB3 H 2.178 0.021 1 1419 144 159 ASP C C 177.518 0.032 1 1420 144 159 ASP CA C 56.707 0.050 1 1421 144 159 ASP CB C 41.607 0.081 1 1422 144 159 ASP N N 122.487 0.011 1 1423 145 160 HIS H H 8.769 0.007 1 1424 145 160 HIS HA H 4.275 0.014 1 1425 145 160 HIS HB2 H 3.558 0.009 1 1426 145 160 HIS HB3 H 3.490 0.029 1 1427 145 160 HIS C C 175.587 0.029 1 1428 145 160 HIS CA C 57.972 0.016 1 1429 145 160 HIS CB C 27.632 0.021 1 1430 145 160 HIS N N 113.317 0.018 1 1431 146 161 ARG H H 7.171 0.002 1 1432 146 161 ARG HA H 3.683 0.007 1 1433 146 161 ARG HB2 H 0.527 0.018 1 1434 146 161 ARG HB3 H -0.857 0.011 1 1435 146 161 ARG HD2 H 2.122 0.009 1 1436 146 161 ARG HD3 H 1.736 0.005 1 1437 146 161 ARG HG2 H 0.869 0.018 1 1438 146 161 ARG HG3 H 0.714 0.009 1 1439 146 161 ARG C C 179.927 0.062 1 1440 146 161 ARG CA C 57.597 0.043 1 1441 146 161 ARG CB C 31.230 0.062 1 1442 146 161 ARG CD C 43.745 0.042 1 1443 146 161 ARG CG C 27.422 0.065 1 1444 146 161 ARG N N 118.303 0.009 1 1445 147 162 GLY H H 8.284 0.005 1 1446 147 162 GLY HA2 H 4.833 0.010 1 1447 147 162 GLY HA3 H 3.825 0.026 1 1448 147 162 GLY C C 174.739 0.017 1 1449 147 162 GLY CA C 45.498 0.037 1 1450 147 162 GLY N N 107.961 0.036 1 1451 148 163 LYS H H 8.154 0.008 1 1452 148 163 LYS HA H 4.034 0.020 1 1453 148 163 LYS HB2 H 2.006 0.051 1 1454 148 163 LYS HB3 H 2.006 0.051 1 1455 148 163 LYS HD2 H 1.825 0.015 1 1456 148 163 LYS HD3 H 1.825 0.015 1 1457 148 163 LYS HE2 H 3.068 0.070 1 1458 148 163 LYS HE3 H 3.068 0.070 1 1459 148 163 LYS HG2 H 1.580 0.001 1 1460 148 163 LYS HG3 H 1.465 0.042 1 1461 148 163 LYS C C 176.868 0.038 1 1462 148 163 LYS CA C 58.582 0.023 1 1463 148 163 LYS CB C 29.956 0.076 1 1464 148 163 LYS CD C 32.795 0.033 1 1465 148 163 LYS CE C 43.300 0.045 1 1466 148 163 LYS CG C 26.826 0.063 1 1467 148 163 LYS N N 114.990 0.032 1 1468 149 164 PHE H H 9.804 0.004 1 1469 149 164 PHE HA H 4.361 0.013 1 1470 149 164 PHE HB2 H 3.017 0.018 1 1471 149 164 PHE HB3 H 2.738 0.009 1 1472 149 164 PHE C C 175.410 0.013 1 1473 149 164 PHE CA C 58.409 0.042 1 1474 149 164 PHE CB C 42.328 0.023 1 1475 149 164 PHE N N 123.867 0.032 1 1476 150 165 LYS H H 7.287 0.006 1 1477 150 165 LYS HA H 4.655 0.008 1 1478 150 165 LYS HB2 H 1.622 0.009 1 1479 150 165 LYS HB3 H 1.622 0.009 1 1480 150 165 LYS HD2 H 1.785 0.022 1 1481 150 165 LYS HD3 H 1.762 0.027 1 1482 150 165 LYS HE2 H 3.021 0.002 1 1483 150 165 LYS HE3 H 3.021 0.002 1 1484 150 165 LYS HG2 H 1.424 0.020 1 1485 150 165 LYS HG3 H 1.424 0.020 1 1486 150 165 LYS C C 177.527 0.025 1 1487 150 165 LYS CA C 54.855 0.029 1 1488 150 165 LYS CB C 35.455 0.022 1 1489 150 165 LYS CD C 29.829 0.015 1 1490 150 165 LYS CE C 43.501 0.011 1 1491 150 165 LYS CG C 25.883 0.021 1 1492 150 165 LYS N N 124.630 0.010 1 1493 151 166 VAL H H 10.071 0.004 1 1494 151 166 VAL HA H 3.819 0.011 1 1495 151 166 VAL HB H 2.437 0.006 1 1496 151 166 VAL HG1 H 1.471 0.005 1 1497 151 166 VAL HG2 H 1.328 0.010 1 1498 151 166 VAL C C 176.604 0.024 1 1499 151 166 VAL CA C 67.034 0.056 1 1500 151 166 VAL CB C 32.212 0.070 1 1501 151 166 VAL CG1 C 25.821 0.064 1 1502 151 166 VAL CG2 C 22.805 0.021 1 1503 151 166 VAL N N 132.176 0.024 1 1504 152 167 ALA H H 9.741 0.009 1 1505 152 167 ALA HA H 4.194 0.006 1 1506 152 167 ALA HB H 1.481 0.014 1 1507 152 167 ALA C C 181.233 0.066 1 1508 152 167 ALA CA C 56.109 0.050 1 1509 152 167 ALA CB C 19.521 0.055 1 1510 152 167 ALA N N 124.831 0.020 1 1511 153 168 SER H H 6.753 0.011 1 1512 153 168 SER HA H 4.179 0.011 1 1513 153 168 SER HB2 H 3.853 0.014 1 1514 153 168 SER HB3 H 3.853 0.014 1 1515 153 168 SER C C 177.548 0.049 1 1516 153 168 SER CA C 62.232 0.052 1 1517 153 168 SER CB C 63.520 0.063 1 1518 153 168 SER N N 111.394 0.015 1 1519 154 169 PHE H H 8.085 0.008 1 1520 154 169 PHE HA H 3.946 0.007 1 1521 154 169 PHE HB2 H 2.912 0.036 1 1522 154 169 PHE HB3 H 2.912 0.036 1 1523 154 169 PHE C C 177.133 0.037 1 1524 154 169 PHE CA C 62.957 0.042 1 1525 154 169 PHE CB C 40.571 0.043 1 1526 154 169 PHE N N 126.335 0.003 1 1527 155 170 ARG H H 9.029 0.008 1 1528 155 170 ARG HA H 3.673 0.028 1 1529 155 170 ARG HB2 H 1.192 0.023 1 1530 155 170 ARG HB3 H 1.192 0.023 1 1531 155 170 ARG HD2 H 2.726 0.024 1 1532 155 170 ARG HD3 H 2.726 0.024 1 1533 155 170 ARG HG2 H 2.290 0.005 1 1534 155 170 ARG HG3 H 2.290 0.005 1 1535 155 170 ARG C C 179.399 0.032 1 1536 155 170 ARG CA C 59.663 0.073 1 1537 155 170 ARG CB C 28.081 0.057 1 1538 155 170 ARG CG C 25.898 0.097 1 1539 155 170 ARG N N 118.544 0.009 1 1540 156 171 LYS H H 7.549 0.007 1 1541 156 171 LYS HA H 4.040 0.007 1 1542 156 171 LYS HB2 H 1.794 0.013 1 1543 156 171 LYS HB3 H 1.794 0.013 1 1544 156 171 LYS HD2 H 1.562 0.027 1 1545 156 171 LYS HD3 H 1.562 0.027 1 1546 156 171 LYS HE2 H 2.847 0.006 1 1547 156 171 LYS HE3 H 2.768 0.003 1 1548 156 171 LYS HG2 H 1.361 0.005 1 1549 156 171 LYS HG3 H 1.624 0.017 1 1550 156 171 LYS C C 181.311 0.077 1 1551 156 171 LYS CA C 61.412 0.045 1 1552 156 171 LYS CB C 33.614 0.074 1 1553 156 171 LYS CD C 30.519 0.009 1 1554 156 171 LYS CE C 43.158 0.040 1 1555 156 171 LYS CG C 28.409 0.021 1 1556 156 171 LYS N N 121.213 0.007 1 1557 157 172 LYS H H 7.953 0.008 1 1558 157 172 LYS HA H 3.706 0.011 1 1559 157 172 LYS HB2 H 1.843 0.010 1 1560 157 172 LYS HB3 H 1.601 0.026 1 1561 157 172 LYS HD2 H 1.102 0.072 1 1562 157 172 LYS HD3 H 1.102 0.072 1 1563 157 172 LYS HE2 H 2.642 0.009 1 1564 157 172 LYS HE3 H 2.642 0.009 1 1565 157 172 LYS HG2 H 0.869 0.006 1 1566 157 172 LYS HG3 H 0.869 0.006 1 1567 157 172 LYS HZ H 6.760 0.005 1 1568 157 172 LYS C C 178.511 0.050 1 1569 157 172 LYS CA C 60.329 0.052 1 1570 157 172 LYS CB C 32.649 0.075 1 1571 157 172 LYS CD C 31.629 0.033 1 1572 157 172 LYS CE C 42.628 0.063 1 1573 157 172 LYS CG C 25.453 0.038 1 1574 157 172 LYS N N 126.304 0.025 1 1575 158 173 TYR H H 6.481 0.003 1 1576 158 173 TYR HA H 4.304 0.007 1 1577 158 173 TYR HB2 H 3.385 0.003 1 1578 158 173 TYR HB3 H 1.851 0.014 1 1579 158 173 TYR C C 173.941 0.003 1 1580 158 173 TYR CA C 60.276 0.070 1 1581 158 173 TYR CB C 38.821 0.068 1 1582 158 173 TYR N N 115.066 0.007 1 1583 159 174 GLU H H 7.727 0.004 1 1584 159 174 GLU HA H 3.797 0.010 1 1585 159 174 GLU HB2 H 2.212 0.007 1 1586 159 174 GLU HB3 H 2.212 0.007 1 1587 159 174 GLU C C 176.192 0.036 1 1588 159 174 GLU CA C 58.034 0.029 1 1589 159 174 GLU CB C 26.657 0.026 1 1590 159 174 GLU N N 113.436 0.025 1 1591 160 175 LEU H H 8.403 0.005 1 1592 160 175 LEU HA H 4.628 0.015 1 1593 160 175 LEU HB2 H 1.353 0.025 1 1594 160 175 LEU HB3 H 1.353 0.025 1 1595 160 175 LEU HD1 H 0.974 0.006 1 1596 160 175 LEU HD2 H 0.696 0.009 1 1597 160 175 LEU HG H 1.686 0.010 1 1598 160 175 LEU C C 179.356 0.054 1 1599 160 175 LEU CA C 54.925 0.067 1 1600 160 175 LEU CB C 42.209 0.060 1 1601 160 175 LEU CD1 C 24.462 0.073 1 1602 160 175 LEU CD2 C 24.753 0.031 1 1603 160 175 LEU CG C 27.880 0.043 1 1604 160 175 LEU N N 118.971 0.008 1 1605 161 176 ARG H H 9.069 0.009 1 1606 161 176 ARG HA H 4.152 0.010 1 1607 161 176 ARG HB2 H 2.142 0.015 1 1608 161 176 ARG HB3 H 1.873 0.021 1 1609 161 176 ARG HD2 H 3.329 0.016 1 1610 161 176 ARG HD3 H 3.175 0.001 1 1611 161 176 ARG HG2 H 1.657 0.012 1 1612 161 176 ARG HG3 H 1.657 0.012 1 1613 161 176 ARG C C 174.183 0.013 1 1614 161 176 ARG CA C 56.764 0.059 1 1615 161 176 ARG CB C 32.183 0.060 1 1616 161 176 ARG CD C 44.231 0.022 1 1617 161 176 ARG CG C 29.723 0.072 1 1618 161 176 ARG N N 124.519 0.026 1 1619 162 177 ALA H H 7.570 0.005 1 1620 162 177 ALA HA H 4.126 0.002 1 1621 162 177 ALA HB H 1.249 0.003 1 1622 162 177 ALA CA C 52.625 0.052 1 1623 162 177 ALA CB C 17.932 0.054 1 1624 162 177 ALA N N 118.330 0.006 1 1625 163 178 PRO HA H 3.869 0.015 1 1626 163 178 PRO HB2 H 1.434 0.001 1 1627 163 178 PRO HB3 H 1.240 0.016 1 1628 163 178 PRO HD2 H 3.062 0.004 1 1629 163 178 PRO HD3 H 3.062 0.004 1 1630 163 178 PRO HG2 H 1.883 0.005 1 1631 163 178 PRO HG3 H 1.795 0.029 1 1632 163 178 PRO C C 178.544 0.056 1 1633 163 178 PRO CA C 65.445 0.048 1 1634 163 178 PRO CB C 32.091 0.053 1 1635 163 178 PRO CD C 51.303 0.046 1 1636 163 178 PRO CG C 29.126 0.046 1 1637 164 179 VAL H H 8.441 0.006 1 1638 164 179 VAL HA H 4.204 0.010 1 1639 164 179 VAL HB H 2.333 0.006 1 1640 164 179 VAL HG1 H 1.064 0.017 1 1641 164 179 VAL HG2 H 0.945 0.024 1 1642 164 179 VAL C C 176.025 0.028 1 1643 164 179 VAL CA C 63.815 0.055 1 1644 164 179 VAL CB C 33.405 0.073 1 1645 164 179 VAL CG1 C 22.935 0.020 1 1646 164 179 VAL CG2 C 22.760 0.070 1 1647 164 179 VAL N N 121.596 0.026 1 1648 165 180 ALA H H 7.390 0.005 1 1649 165 180 ALA HA H 5.742 0.010 1 1650 165 180 ALA HB H 0.422 0.011 1 1651 165 180 ALA C C 176.644 0.015 1 1652 165 180 ALA CA C 51.164 0.053 1 1653 165 180 ALA CB C 22.940 0.073 1 1654 165 180 ALA N N 119.893 0.002 1 1655 166 181 GLY H H 7.407 0.006 1 1656 166 181 GLY HA2 H 4.599 0.013 1 1657 166 181 GLY HA3 H 4.192 0.010 1 1658 166 181 GLY C C 173.342 0.022 1 1659 166 181 GLY CA C 48.158 0.031 1 1660 166 181 GLY N N 104.604 0.012 1 1661 167 182 THR H H 9.760 0.010 1 1662 167 182 THR HA H 4.788 0.013 1 1663 167 182 THR HB H 4.880 0.020 1 1664 167 182 THR HG2 H 1.345 0.008 1 1665 167 182 THR C C 172.644 0.011 1 1666 167 182 THR CA C 62.366 0.033 1 1667 167 182 THR CB C 68.758 0.090 1 1668 167 182 THR CG2 C 21.887 0.043 1 1669 167 182 THR N N 113.842 0.069 1 1670 168 183 CYS H H 8.926 0.007 1 1671 168 183 CYS HA H 5.969 0.019 1 1672 168 183 CYS HB2 H 2.974 0.014 1 1673 168 183 CYS HB3 H 2.127 0.022 1 1674 168 183 CYS C C 174.881 0.018 1 1675 168 183 CYS CA C 57.231 0.046 1 1676 168 183 CYS CB C 32.164 0.055 1 1677 168 183 CYS N N 122.011 0.023 1 1678 169 184 TYR H H 9.234 0.011 1 1679 169 184 TYR HA H 5.644 0.017 1 1680 169 184 TYR HB2 H 3.854 0.008 1 1681 169 184 TYR HB3 H 3.020 0.015 1 1682 169 184 TYR C C 173.498 0.014 1 1683 169 184 TYR CA C 56.861 0.074 1 1684 169 184 TYR CB C 42.962 0.040 1 1685 169 184 TYR N N 127.537 0.011 1 1686 170 185 GLN H H 9.353 0.005 1 1687 170 185 GLN HA H 5.953 0.023 1 1688 170 185 GLN HB2 H 2.119 0.036 1 1689 170 185 GLN HB3 H 1.719 0.026 1 1690 170 185 GLN HE21 H 6.792 0.001 1 1691 170 185 GLN HG2 H 1.792 0.012 1 1692 170 185 GLN HG3 H 1.792 0.012 1 1693 170 185 GLN C C 175.677 0.012 1 1694 170 185 GLN CA C 54.770 0.074 1 1695 170 185 GLN CB C 37.745 0.067 1 1696 170 185 GLN N N 120.415 0.052 1 1697 171 186 ALA H H 8.459 0.010 1 1698 171 186 ALA HA H 5.207 0.016 1 1699 171 186 ALA HB H 1.297 0.018 1 1700 171 186 ALA C C 176.442 0.016 1 1701 171 186 ALA CA C 53.645 0.031 1 1702 171 186 ALA CB C 23.538 0.064 1 1703 171 186 ALA N N 118.724 0.019 1 1704 172 187 GLU H H 8.982 0.011 1 1705 172 187 GLU HA H 4.983 0.019 1 1706 172 187 GLU HB2 H 2.247 0.000 1 1707 172 187 GLU HB3 H 2.247 0.000 1 1708 172 187 GLU HG2 H 3.022 0.004 1 1709 172 187 GLU HG3 H 2.461 0.004 1 1710 172 187 GLU C C 175.130 0.004 1 1711 172 187 GLU CA C 54.311 0.043 1 1712 172 187 GLU CB C 34.449 0.116 1 1713 172 187 GLU CG C 44.336 0.034 1 1714 172 187 GLU N N 120.052 0.004 1 1715 173 188 TRP H H 8.237 0.004 1 1716 173 188 TRP HA H 3.726 0.013 1 1717 173 188 TRP HB2 H 3.182 0.010 1 1718 173 188 TRP HB3 H 3.182 0.010 1 1719 173 188 TRP C C 177.556 0.032 1 1720 173 188 TRP CA C 63.072 0.049 1 1721 173 188 TRP CB C 31.473 0.052 1 1722 173 188 TRP N N 118.815 0.021 1 1723 174 189 ASP H H 6.438 0.003 1 1724 174 189 ASP HA H 4.001 0.034 1 1725 174 189 ASP HB2 H 2.995 0.021 1 1726 174 189 ASP HB3 H 2.995 0.021 1 1727 174 189 ASP C C 175.299 0.037 1 1728 174 189 ASP CA C 54.037 0.055 1 1729 174 189 ASP CB C 43.244 0.070 1 1730 174 189 ASP N N 124.987 0.028 1 1731 175 190 ASP H H 7.452 0.006 1 1732 175 190 ASP HA H 3.502 0.023 1 1733 175 190 ASP HB2 H 2.644 0.024 1 1734 175 190 ASP HB3 H 2.521 0.032 1 1735 175 190 ASP C C 178.151 0.019 1 1736 175 190 ASP CA C 56.756 0.052 1 1737 175 190 ASP CB C 40.777 0.035 1 1738 175 190 ASP N N 111.163 0.018 1 1739 176 191 TYR H H 8.284 0.007 1 1740 176 191 TYR HA H 4.254 0.017 1 1741 176 191 TYR HB2 H 3.136 0.010 1 1742 176 191 TYR HB3 H 2.840 0.010 1 1743 176 191 TYR C C 177.744 0.056 1 1744 176 191 TYR CA C 60.613 0.057 1 1745 176 191 TYR CB C 40.302 0.044 1 1746 176 191 TYR N N 122.312 0.042 1 1747 177 192 VAL H H 7.348 0.005 1 1748 177 192 VAL HA H 3.014 0.030 1 1749 177 192 VAL HB H 1.853 0.029 1 1750 177 192 VAL HG1 H 0.552 0.003 1 1751 177 192 VAL HG2 H 0.963 0.023 1 1752 177 192 VAL CA C 69.952 0.022 1 1753 177 192 VAL CB C 29.392 0.064 1 1754 177 192 VAL CG1 C 22.749 0.024 1 1755 177 192 VAL CG2 C 26.427 0.019 1 1756 177 192 VAL N N 119.768 0.046 1 1757 178 193 PRO HA H 4.228 0.056 1 1758 178 193 PRO HB2 H 2.444 0.012 1 1759 178 193 PRO HB3 H 1.717 0.026 1 1760 178 193 PRO HD2 H 3.507 0.018 1 1761 178 193 PRO HD3 H 3.342 0.026 1 1762 178 193 PRO HG2 H 2.288 0.025 1 1763 178 193 PRO HG3 H 2.288 0.025 1 1764 178 193 PRO CA C 67.466 0.070 1 1765 178 193 PRO CB C 32.681 0.072 1 1766 178 193 PRO CD C 50.192 0.030 1 1767 178 193 PRO CG C 29.957 0.061 1 1768 179 194 LYS H H 7.082 0.003 1 1769 179 194 LYS HA H 3.974 0.026 1 1770 179 194 LYS HB2 H 1.682 0.017 1 1771 179 194 LYS HB3 H 1.682 0.017 1 1772 179 194 LYS HD2 H 1.660 0.027 1 1773 179 194 LYS HD3 H 1.660 0.027 1 1774 179 194 LYS HE2 H 2.955 0.026 1 1775 179 194 LYS HE3 H 2.955 0.026 1 1776 179 194 LYS HG2 H 1.382 0.024 1 1777 179 194 LYS HG3 H 1.382 0.024 1 1778 179 194 LYS C C 180.606 0.041 1 1779 179 194 LYS CA C 59.117 0.069 1 1780 179 194 LYS CB C 31.808 0.073 1 1781 179 194 LYS CD C 29.659 0.034 1 1782 179 194 LYS CE C 43.041 0.084 1 1783 179 194 LYS CG C 26.012 0.042 1 1784 179 194 LYS N N 117.091 0.016 1 1785 180 195 LEU H H 7.186 0.008 1 1786 180 195 LEU HA H 3.866 0.005 1 1787 180 195 LEU HB2 H 1.588 0.006 1 1788 180 195 LEU HB3 H 1.090 0.032 1 1789 180 195 LEU HD1 H 0.787 0.023 1 1790 180 195 LEU HD2 H 0.410 0.037 1 1791 180 195 LEU HG H 1.204 0.032 1 1792 180 195 LEU C C 180.123 0.089 1 1793 180 195 LEU CA C 58.815 0.028 1 1794 180 195 LEU CB C 41.982 0.024 1 1795 180 195 LEU CD1 C 26.695 0.007 1 1796 180 195 LEU CD2 C 24.552 0.030 1 1797 180 195 LEU CG C 27.957 0.024 1 1798 180 195 LEU N N 125.124 0.005 1 1799 181 196 TYR H H 8.069 0.014 1 1800 181 196 TYR HA H 4.047 0.013 1 1801 181 196 TYR HB2 H 3.050 0.013 1 1802 181 196 TYR HB3 H 2.899 0.007 1 1803 181 196 TYR C C 180.631 0.000 1 1804 181 196 TYR CA C 62.749 0.062 1 1805 181 196 TYR CB C 37.548 0.030 1 1806 181 196 TYR N N 117.328 0.032 1 1807 182 197 GLU H H 7.687 0.002 1 1808 182 197 GLU HA H 4.076 0.026 1 1809 182 197 GLU HB2 H 2.111 0.038 1 1810 182 197 GLU HB3 H 2.111 0.038 1 1811 182 197 GLU HG2 H 2.531 0.017 1 1812 182 197 GLU HG3 H 2.328 0.020 1 1813 182 197 GLU C C 180.306 0.078 1 1814 182 197 GLU CA C 60.765 0.059 1 1815 182 197 GLU CB C 29.689 0.050 1 1816 182 197 GLU N N 121.438 0.004 1 1817 183 198 GLN H H 7.776 0.006 1 1818 183 198 GLN HA H 4.146 0.007 1 1819 183 198 GLN HB2 H 2.398 0.011 1 1820 183 198 GLN HB3 H 2.398 0.011 1 1821 183 198 GLN HG2 H 2.364 0.024 1 1822 183 198 GLN HG3 H 2.364 0.024 1 1823 183 198 GLN C C 179.719 0.071 1 1824 183 198 GLN CA C 60.107 0.025 1 1825 183 198 GLN CB C 30.053 0.024 1 1826 183 198 GLN CG C 34.934 0.049 1 1827 183 198 GLN N N 123.319 0.008 1 1828 184 199 LEU H H 7.907 0.006 1 1829 184 199 LEU HA H 3.924 0.008 1 1830 184 199 LEU HB2 H 1.705 0.011 1 1831 184 199 LEU HB3 H 1.483 0.008 1 1832 184 199 LEU HD1 H 0.815 0.001 1 1833 184 199 LEU HD2 H 0.658 0.047 1 1834 184 199 LEU HG H 1.512 0.025 1 1835 184 199 LEU C C 177.490 0.034 1 1836 184 199 LEU CA C 56.841 0.022 1 1837 184 199 LEU CB C 43.208 0.043 1 1838 184 199 LEU CD1 C 26.874 0.079 1 1839 184 199 LEU CD2 C 23.380 0.081 1 1840 184 199 LEU CG C 30.703 0.025 1 1841 184 199 LEU N N 117.501 0.024 1 1842 185 200 SER H H 7.561 0.006 1 1843 185 200 SER HA H 4.568 0.011 1 1844 185 200 SER HB2 H 4.041 0.012 1 1845 185 200 SER HB3 H 4.041 0.012 1 1846 185 200 SER C C 176.163 0.033 1 1847 185 200 SER CA C 59.870 0.060 1 1848 185 200 SER CB C 65.150 0.071 1 1849 185 200 SER N N 113.911 0.018 1 1850 186 201 GLY H H 7.960 0.012 1 1851 186 201 GLY HA2 H 4.152 0.021 1 1852 186 201 GLY HA3 H 3.979 0.011 1 1853 186 201 GLY C C 174.851 0.007 1 1854 186 201 GLY CA C 47.208 0.039 1 1855 186 201 GLY N N 111.223 0.008 1 1856 187 202 LYS H H 7.675 0.006 1 1857 187 202 LYS HA H 4.186 0.015 1 1858 187 202 LYS HB2 H 1.837 0.006 1 1859 187 202 LYS HB3 H 1.614 0.012 1 1860 187 202 LYS HD2 H 1.639 0.001 1 1861 187 202 LYS HD3 H 1.639 0.001 1 1862 187 202 LYS HE2 H 2.967 0.005 1 1863 187 202 LYS HE3 H 2.967 0.005 1 1864 187 202 LYS HG2 H 1.357 0.001 1 1865 187 202 LYS HG3 H 1.357 0.001 1 1866 187 202 LYS CA C 58.381 0.078 1 1867 187 202 LYS CB C 34.845 0.026 1 1868 187 202 LYS CD C 30.027 0.079 1 1869 187 202 LYS CE C 43.191 0.021 1 1870 187 202 LYS CG C 26.158 0.011 1 1871 187 202 LYS N N 125.796 0.005 1 stop_ save_