data_17279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of protein lipocalin 12 from rat epididymis ; _BMRB_accession_number 17279 _BMRB_flat_file_name bmr17279.str _Entry_type original _Submission_date 2010-11-03 _Accession_date 2010-11-03 _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 Peng Yu . . 2 Lin Donghai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 926 "13C chemical shifts" 728 "15N chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 update BMRB 'update entry citation' 2011-05-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the protein lipocalin 12 from rat epididymis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21538546 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peng Yu . . 2 Zhang Xu . . 3 Liu Jiafu . . 4 Liu Qiang . . 5 Guo Chenyun . . 6 Zhang Yonglian . . 7 Lin Donghai . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 79 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2316 _Page_last 2320 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rat epididymal lipocalin 12' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rat epididymal lipocalin 12' $rat_epididymal_lipocalin_12 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_rat_epididymal_lipocalin_12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rat_epididymal_lipocalin_12 _Molecular_mass 20124.996 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; MGQSPTMPQGFSQMTSFQSN KFQGEWFVLGLADNTYKREH RPLLHSFITLFKLRDNSEFQ VTNSMTRGKHCSTWSYTLIP TNKPGQFTRDNRGSGPGADK ENIQVIETDYVKFALVLSLR QASNQNITRVSLLGRDWKIT HKTIDRFIALTKTQNLTKNN LLFPDLTDWLLDPKVCLEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 28 MET 2 29 GLY 3 30 GLN 4 31 SER 5 32 PRO 6 33 THR 7 34 MET 8 35 PRO 9 36 GLN 10 37 GLY 11 38 PHE 12 39 SER 13 40 GLN 14 41 MET 15 42 THR 16 43 SER 17 44 PHE 18 45 GLN 19 46 SER 20 47 ASN 21 48 LYS 22 49 PHE 23 50 GLN 24 51 GLY 25 52 GLU 26 53 TRP 27 54 PHE 28 55 VAL 29 56 LEU 30 57 GLY 31 58 LEU 32 59 ALA 33 60 ASP 34 61 ASN 35 62 THR 36 63 TYR 37 64 LYS 38 65 ARG 39 66 GLU 40 67 HIS 41 68 ARG 42 69 PRO 43 70 LEU 44 71 LEU 45 72 HIS 46 73 SER 47 74 PHE 48 75 ILE 49 76 THR 50 77 LEU 51 78 PHE 52 79 LYS 53 80 LEU 54 81 ARG 55 82 ASP 56 83 ASN 57 84 SER 58 85 GLU 59 86 PHE 60 87 GLN 61 88 VAL 62 89 THR 63 90 ASN 64 91 SER 65 92 MET 66 93 THR 67 94 ARG 68 95 GLY 69 96 LYS 70 97 HIS 71 98 CYS 72 99 SER 73 100 THR 74 101 TRP 75 102 SER 76 103 TYR 77 104 THR 78 105 LEU 79 106 ILE 80 107 PRO 81 108 THR 82 109 ASN 83 110 LYS 84 111 PRO 85 112 GLY 86 113 GLN 87 114 PHE 88 115 THR 89 116 ARG 90 117 ASP 91 118 ASN 92 119 ARG 93 120 GLY 94 121 SER 95 122 GLY 96 123 PRO 97 124 GLY 98 125 ALA 99 126 ASP 100 127 LYS 101 128 GLU 102 129 ASN 103 130 ILE 104 131 GLN 105 132 VAL 106 133 ILE 107 134 GLU 108 135 THR 109 136 ASP 110 137 TYR 111 138 VAL 112 139 LYS 113 140 PHE 114 141 ALA 115 142 LEU 116 143 VAL 117 144 LEU 118 145 SER 119 146 LEU 120 147 ARG 121 148 GLN 122 149 ALA 123 150 SER 124 151 ASN 125 152 GLN 126 153 ASN 127 154 ILE 128 155 THR 129 156 ARG 130 157 VAL 131 158 SER 132 159 LEU 133 160 LEU 134 161 GLY 135 162 ARG 136 163 ASP 137 164 TRP 138 165 LYS 139 166 ILE 140 167 THR 141 168 HIS 142 169 LYS 143 170 THR 144 171 ILE 145 172 ASP 146 173 ARG 147 174 PHE 148 175 ILE 149 176 ALA 150 177 LEU 151 178 THR 152 179 LYS 153 180 THR 154 181 GLN 155 182 ASN 156 183 LEU 157 184 THR 158 185 LYS 159 186 ASN 160 187 ASN 161 188 LEU 162 189 LEU 163 190 PHE 164 191 PRO 165 192 ASP 166 193 LEU 167 194 THR 168 195 ASP 169 196 TRP 170 197 LEU 171 198 LEU 172 199 ASP 173 200 PRO 174 201 LYS 175 202 VAL 176 203 CYS 177 204 LEU 178 205 GLU 179 206 HIS 180 207 HIS 181 208 HIS 182 209 HIS 183 210 HIS 184 211 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L5P "Solution Nmr Structure Of Protein Lipocalin 12 From Rat Epididymis" 100.00 184 100.00 100.00 9.06e-134 GB ABG24235 "lipocalin 12 [Rattus norvegicus]" 95.11 203 99.43 99.43 2.86e-124 GB EDL93574 "rCG45402 [Rattus norvegicus]" 79.89 184 98.64 99.32 2.59e-101 REF NP_001121610 "epididymal-specific lipocalin-12 [Rattus norvegicus]" 79.89 184 98.64 99.32 2.59e-101 SP B3EY83 "RecName: Full=Epididymal-specific lipocalin-12; Flags: Precursor" 95.11 193 99.43 99.43 4.07e-124 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rat_epididymal_lipocalin_12 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $rat_epididymal_lipocalin_12 'recombinant technology' . Escherichia coli BL21(DE3) pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '20MM NaAC;0.5MM EDTA; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rat_epididymal_lipocalin_12 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaAC 20 MM 'natural abundance' EDTA 0.5 MM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Advance III' _Field_strength 800 _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 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_4D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N NOESY' _Sample_label $sample save_ save_4D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _Sample_label $sample save_ save_3D_MQ-CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D MQ-CCH-TOCSY' _Sample_label $sample save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample 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' 20 . mM pH 4.5 . pH pressure 1 . Pa temperature 310 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 HNCACB' '3D HNCO' '4D 1H-15N NOESY' '4D 1H-13C NOESY' '3D MQ-CCH-TOCSY' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'rat epididymal lipocalin 12' _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 29 2 GLY H H 8.516 0.001 1 2 29 2 GLY HA2 H 3.931 0.011 2 3 29 2 GLY C C 169.928 0.003 1 4 29 2 GLY CA C 43.615 0.033 1 5 29 2 GLY N N 120.400 0.003 1 6 30 3 GLN H H 8.590 0.003 1 7 30 3 GLN HA H 4.428 0.003 1 8 30 3 GLN HB2 H 2.072 0.003 2 9 30 3 GLN C C 174.897 0.003 1 10 30 3 GLN CA C 56.150 0.060 1 11 30 3 GLN CB C 30.121 0.009 1 12 30 3 GLN N N 119.856 0.026 1 13 31 4 SER H H 8.146 0.002 1 14 31 4 SER HB2 H 3.804 0.001 2 15 31 4 SER CA C 58.803 0.062 1 16 31 4 SER CB C 64.540 0.075 1 17 31 4 SER N N 117.336 0.011 1 18 32 5 PRO HA H 4.558 0.003 1 19 32 5 PRO HB2 H 2.331 0.003 2 20 32 5 PRO HB3 H 1.996 0.003 2 21 32 5 PRO HG2 H 2.067 0.005 2 22 32 5 PRO HD2 H 3.785 0.012 2 23 32 5 PRO C C 176.875 0.003 1 24 32 5 PRO CA C 63.624 0.040 1 25 32 5 PRO CB C 32.393 0.026 1 26 32 5 PRO CG C 27.589 0.032 1 27 32 5 PRO CD C 51.108 0.022 1 28 33 6 THR H H 8.136 0.004 1 29 33 6 THR HA H 4.332 0.023 1 30 33 6 THR HB H 4.227 0.016 1 31 33 6 THR HG2 H 1.229 0.019 1 32 33 6 THR C C 174.330 0.003 1 33 33 6 THR CA C 62.077 0.061 1 34 33 6 THR CB C 70.070 0.049 1 35 33 6 THR CG2 C 22.043 0.029 1 36 33 6 THR N N 114.274 0.016 1 37 34 7 MET H H 8.150 0.003 1 38 34 7 MET HA H 4.895 0.010 1 39 34 7 MET HB2 H 2.088 0.003 2 40 34 7 MET HB3 H 2.021 0.012 2 41 34 7 MET HG2 H 2.607 0.019 2 42 34 7 MET HE H 2.090 0.013 1 43 34 7 MET CA C 53.035 0.078 1 44 34 7 MET CB C 32.688 0.067 1 45 34 7 MET CG C 32.596 0.052 1 46 34 7 MET CE C 17.463 0.056 1 47 34 7 MET N N 123.577 0.011 1 48 35 8 PRO HA H 4.434 0.023 1 49 35 8 PRO HB2 H 2.339 0.015 2 50 35 8 PRO HB3 H 1.912 0.011 2 51 35 8 PRO HG2 H 1.839 0.009 2 52 35 8 PRO HD2 H 3.860 0.007 2 53 35 8 PRO HD3 H 3.590 0.011 2 54 35 8 PRO C C 176.191 0.003 1 55 35 8 PRO CA C 63.059 0.040 1 56 35 8 PRO CB C 32.242 0.056 1 57 35 8 PRO CG C 27.652 0.045 1 58 35 8 PRO CD C 50.734 0.055 1 59 36 9 GLN H H 8.489 0.003 1 60 36 9 GLN HA H 4.224 0.017 1 61 36 9 GLN HB2 H 2.084 0.019 2 62 36 9 GLN HG2 H 2.444 0.030 2 63 36 9 GLN HE21 H 7.670 0.002 2 64 36 9 GLN HE22 H 6.691 0.001 2 65 36 9 GLN C C 176.493 0.003 1 66 36 9 GLN CA C 57.247 0.053 1 67 36 9 GLN CB C 29.374 0.030 1 68 36 9 GLN CG C 33.963 0.050 1 69 36 9 GLN N N 121.759 0.012 1 70 36 9 GLN NE2 N 112.355 0.015 1 71 37 10 GLY H H 8.470 0.003 1 72 37 10 GLY HA2 H 4.028 0.014 2 73 37 10 GLY HA3 H 3.732 0.014 2 74 37 10 GLY C C 173.562 0.003 1 75 37 10 GLY CA C 45.159 0.037 1 76 37 10 GLY N N 110.812 0.022 1 77 38 11 PHE H H 8.045 0.002 1 78 38 11 PHE HA H 4.614 0.005 1 79 38 11 PHE HB2 H 2.959 0.034 2 80 38 11 PHE HD1 H 7.206 0.010 3 81 38 11 PHE HE1 H 7.164 0.006 3 82 38 11 PHE HZ H 6.164 0.003 1 83 38 11 PHE C C 174.793 0.003 1 84 38 11 PHE CA C 57.838 0.051 1 85 38 11 PHE CB C 40.756 0.034 1 86 38 11 PHE CD1 C 132.864 0.031 3 87 38 11 PHE CE1 C 130.800 0.067 3 88 38 11 PHE CZ C 128.685 0.003 1 89 38 11 PHE N N 119.898 0.030 1 90 39 12 SER H H 8.614 0.002 1 91 39 12 SER HA H 4.617 0.016 1 92 39 12 SER HB2 H 3.916 0.020 2 93 39 12 SER HB3 H 3.877 0.007 2 94 39 12 SER C C 173.733 0.003 1 95 39 12 SER CA C 57.896 0.071 1 96 39 12 SER CB C 64.992 0.043 1 97 39 12 SER N N 117.109 0.017 1 98 40 13 GLN H H 8.532 0.002 1 99 40 13 GLN HA H 4.475 0.003 1 100 40 13 GLN HB2 H 2.115 0.021 2 101 40 13 GLN HG2 H 2.441 0.009 2 102 40 13 GLN HG3 H 2.389 0.003 2 103 40 13 GLN HE21 H 7.463 0.002 2 104 40 13 GLN HE22 H 6.803 0.003 2 105 40 13 GLN C C 176.414 0.003 1 106 40 13 GLN CA C 55.930 0.028 1 107 40 13 GLN CB C 29.781 0.046 1 108 40 13 GLN CG C 33.963 0.049 1 109 40 13 GLN N N 122.851 0.017 1 110 40 13 GLN NE2 N 112.051 0.011 1 111 41 14 MET H H 8.910 0.003 1 112 41 14 MET HA H 4.600 0.006 1 113 41 14 MET HB2 H 2.387 0.008 2 114 41 14 MET HB3 H 2.136 0.013 2 115 41 14 MET HG2 H 2.730 0.003 2 116 41 14 MET HG3 H 2.693 0.004 2 117 41 14 MET HE H 2.205 0.011 1 118 41 14 MET C C 176.904 0.003 1 119 41 14 MET CA C 56.945 0.051 1 120 41 14 MET CB C 33.611 0.048 1 121 41 14 MET CG C 32.447 0.053 1 122 41 14 MET CE C 17.017 0.044 1 123 41 14 MET N N 126.267 0.018 1 124 42 15 THR H H 8.718 0.002 1 125 42 15 THR HA H 4.377 0.017 1 126 42 15 THR HB H 4.480 0.014 1 127 42 15 THR HG2 H 1.347 0.013 1 128 42 15 THR C C 174.518 0.003 1 129 42 15 THR CA C 63.042 0.070 1 130 42 15 THR CB C 69.652 0.053 1 131 42 15 THR CG2 C 22.357 0.026 1 132 42 15 THR N N 114.456 0.032 1 133 43 16 SER H H 7.815 0.002 1 134 43 16 SER HA H 4.581 0.012 1 135 43 16 SER HB2 H 3.910 0.019 2 136 43 16 SER HB3 H 3.985 0.003 2 137 43 16 SER C C 171.875 0.003 1 138 43 16 SER CA C 57.630 0.047 1 139 43 16 SER CB C 65.175 0.039 1 140 43 16 SER N N 114.226 0.027 1 141 44 17 PHE H H 8.878 0.002 1 142 44 17 PHE HA H 4.911 0.012 1 143 44 17 PHE HB2 H 3.040 0.003 2 144 44 17 PHE HB3 H 2.954 0.022 2 145 44 17 PHE HD1 H 7.473 0.005 3 146 44 17 PHE HE1 H 7.131 0.013 3 147 44 17 PHE HZ H 6.162 0.004 1 148 44 17 PHE C C 174.100 0.003 1 149 44 17 PHE CA C 58.032 0.039 1 150 44 17 PHE CB C 42.593 0.079 1 151 44 17 PHE CD1 C 133.050 0.120 3 152 44 17 PHE CE1 C 130.596 0.050 3 153 44 17 PHE CZ C 128.983 0.045 1 154 44 17 PHE N N 122.066 0.016 1 155 45 18 GLN H H 7.826 0.002 1 156 45 18 GLN HA H 4.581 0.003 1 157 45 18 GLN HB2 H 1.731 0.021 2 158 45 18 GLN HB3 H 1.269 0.015 2 159 45 18 GLN HG2 H 2.228 0.009 2 160 45 18 GLN HG3 H 2.186 0.012 2 161 45 18 GLN HE21 H 7.291 0.001 2 162 45 18 GLN HE22 H 6.786 0.002 2 163 45 18 GLN C C 175.293 0.003 1 164 45 18 GLN CA C 53.893 0.075 1 165 45 18 GLN CB C 27.670 0.079 1 166 45 18 GLN CG C 33.809 0.052 1 167 45 18 GLN N N 127.659 0.048 1 168 45 18 GLN NE2 N 111.924 0.049 1 169 46 19 SER H H 8.257 0.004 1 170 46 19 SER HA H 4.087 0.030 1 171 46 19 SER C C 175.750 0.003 1 172 46 19 SER CA C 63.136 0.069 1 173 46 19 SER N N 121.659 0.034 1 174 47 20 ASN H H 8.747 0.003 1 175 47 20 ASN HA H 4.344 0.014 1 176 47 20 ASN HB2 H 2.888 0.001 2 177 47 20 ASN HB3 H 2.796 0.028 2 178 47 20 ASN HD21 H 7.507 0.002 2 179 47 20 ASN HD22 H 6.828 0.001 2 180 47 20 ASN C C 177.386 0.003 1 181 47 20 ASN CA C 56.359 0.052 1 182 47 20 ASN CB C 37.152 0.038 1 183 47 20 ASN N N 115.906 0.019 1 184 47 20 ASN ND2 N 112.879 0.051 1 185 48 21 LYS H H 7.074 0.004 1 186 48 21 LYS HA H 4.259 0.014 1 187 48 21 LYS HB2 H 1.461 0.011 2 188 48 21 LYS HB3 H 1.121 0.019 2 189 48 21 LYS HG2 H 1.220 0.010 2 190 48 21 LYS HG3 H 1.205 0.003 2 191 48 21 LYS HD2 H 1.261 0.033 2 192 48 21 LYS HE2 H 2.787 0.012 2 193 48 21 LYS C C 176.285 0.003 1 194 48 21 LYS CA C 57.115 0.061 1 195 48 21 LYS CB C 32.572 0.088 1 196 48 21 LYS CG C 25.576 0.073 1 197 48 21 LYS CD C 29.123 0.062 1 198 48 21 LYS CE C 42.115 0.044 1 199 48 21 LYS N N 117.458 0.023 1 200 49 22 PHE H H 7.708 0.003 1 201 49 22 PHE HA H 4.496 0.015 1 202 49 22 PHE HB2 H 3.195 0.025 2 203 49 22 PHE HB3 H 3.046 0.012 2 204 49 22 PHE HD1 H 6.665 0.013 3 205 49 22 PHE C C 173.527 0.003 1 206 49 22 PHE CA C 60.035 0.052 1 207 49 22 PHE CB C 42.400 0.038 1 208 49 22 PHE CD1 C 131.643 0.076 3 209 49 22 PHE N N 120.202 0.029 1 210 50 23 GLN H H 6.899 0.004 1 211 50 23 GLN HA H 4.465 0.012 1 212 50 23 GLN HB2 H 2.675 0.012 2 213 50 23 GLN HB3 H 2.401 0.011 2 214 50 23 GLN HG2 H 2.762 0.012 2 215 50 23 GLN HG3 H 2.488 0.014 2 216 50 23 GLN HE21 H 7.746 0.002 2 217 50 23 GLN HE22 H 7.265 0.001 2 218 50 23 GLN C C 174.984 0.003 1 219 50 23 GLN CA C 56.700 0.068 1 220 50 23 GLN CB C 32.070 0.060 1 221 50 23 GLN CG C 35.234 0.056 1 222 50 23 GLN N N 110.177 0.021 1 223 50 23 GLN NE2 N 112.722 0.046 1 224 51 24 GLY H H 9.531 0.002 1 225 51 24 GLY HA2 H 4.481 0.016 2 226 51 24 GLY HA3 H 3.798 0.011 2 227 51 24 GLY C C 172.907 0.003 1 228 51 24 GLY CA C 44.001 0.047 1 229 51 24 GLY N N 109.481 0.018 1 230 52 25 GLU H H 8.564 0.002 1 231 52 25 GLU HA H 4.640 0.010 1 232 52 25 GLU HB2 H 1.783 0.007 2 233 52 25 GLU HB3 H 1.805 0.013 2 234 52 25 GLU HG2 H 2.065 0.007 2 235 52 25 GLU HG3 H 1.814 0.015 2 236 52 25 GLU C C 175.759 0.003 1 237 52 25 GLU CA C 56.996 0.056 1 238 52 25 GLU CB C 30.523 0.048 1 239 52 25 GLU CG C 34.806 0.048 1 240 52 25 GLU N N 120.325 0.029 1 241 53 26 TRP H H 9.034 0.003 1 242 53 26 TRP HA H 4.734 0.003 1 243 53 26 TRP HB2 H 2.952 0.024 2 244 53 26 TRP HB3 H 2.882 0.025 2 245 53 26 TRP HD1 H 6.848 0.014 1 246 53 26 TRP HE1 H 8.648 0.003 1 247 53 26 TRP HE3 H 6.219 0.004 1 248 53 26 TRP HZ2 H 6.325 0.005 1 249 53 26 TRP HH2 H 6.235 0.004 1 250 53 26 TRP C C 174.212 0.003 1 251 53 26 TRP CA C 55.955 0.069 1 252 53 26 TRP CB C 33.267 0.053 1 253 53 26 TRP CD1 C 127.778 0.078 1 254 53 26 TRP CE3 C 119.826 0.056 1 255 53 26 TRP CZ2 C 114.974 0.088 1 256 53 26 TRP CH2 C 121.998 0.042 1 257 53 26 TRP N N 126.241 0.042 1 258 53 26 TRP NE1 N 129.144 0.031 1 259 54 27 PHE H H 9.795 0.003 1 260 54 27 PHE HA H 4.855 0.019 1 261 54 27 PHE HB2 H 2.811 0.003 2 262 54 27 PHE HB3 H 2.781 0.009 2 263 54 27 PHE HD1 H 6.926 0.008 3 264 54 27 PHE C C 176.209 0.003 1 265 54 27 PHE CA C 57.522 0.047 1 266 54 27 PHE CB C 40.931 0.041 1 267 54 27 PHE CD1 C 131.871 0.109 3 268 54 27 PHE N N 120.466 0.018 1 269 55 28 VAL H H 8.669 0.005 1 270 55 28 VAL HA H 4.275 0.005 1 271 55 28 VAL HB H 1.848 0.010 1 272 55 28 VAL HG1 H 0.692 0.009 2 273 55 28 VAL C C 175.120 0.003 1 274 55 28 VAL CA C 63.648 0.024 1 275 55 28 VAL CB C 30.717 0.028 1 276 55 28 VAL CG1 C 21.664 0.064 2 277 55 28 VAL N N 123.376 0.049 1 278 56 29 LEU H H 8.745 0.003 1 279 56 29 LEU HA H 4.590 0.016 1 280 56 29 LEU HB2 H 1.673 0.015 2 281 56 29 LEU HB3 H 1.422 0.027 2 282 56 29 LEU HG H 1.042 0.016 1 283 56 29 LEU HD1 H 0.869 0.019 2 284 56 29 LEU C C 176.796 0.003 1 285 56 29 LEU CA C 55.012 0.058 1 286 56 29 LEU CB C 43.765 0.079 1 287 56 29 LEU CG C 26.532 0.059 1 288 56 29 LEU CD1 C 23.176 0.034 2 289 56 29 LEU CD2 C 23.179 0.003 2 290 56 29 LEU N N 127.221 0.040 1 291 57 30 GLY H H 7.384 0.003 1 292 57 30 GLY HA2 H 4.403 0.014 2 293 57 30 GLY HA3 H 2.935 0.012 2 294 57 30 GLY C C 170.231 0.003 1 295 57 30 GLY CA C 46.227 0.058 1 296 57 30 GLY N N 103.912 0.045 1 297 58 31 LEU H H 8.822 0.003 1 298 58 31 LEU HA H 5.446 0.015 1 299 58 31 LEU HB2 H 1.701 0.016 2 300 58 31 LEU HB3 H 1.670 0.005 2 301 58 31 LEU HG H 1.582 0.015 1 302 58 31 LEU HD1 H 0.991 0.007 2 303 58 31 LEU HD2 H 0.740 0.005 2 304 58 31 LEU C C 174.230 0.003 1 305 58 31 LEU CA C 54.658 0.064 1 306 58 31 LEU CB C 47.895 0.039 1 307 58 31 LEU CG C 27.517 0.073 1 308 58 31 LEU CD1 C 25.912 0.053 2 309 58 31 LEU CD2 C 25.881 0.023 2 310 58 31 LEU N N 124.218 0.042 1 311 59 32 ALA H H 9.114 0.003 1 312 59 32 ALA HA H 5.538 0.014 1 313 59 32 ALA HB H 1.239 0.013 1 314 59 32 ALA CA C 50.735 0.053 1 315 59 32 ALA CB C 24.953 0.052 1 316 59 32 ALA N N 124.489 0.040 1 317 60 33 ASP H H 7.919 0.005 1 318 60 33 ASP HA H 5.610 0.006 1 319 60 33 ASP HB2 H 2.197 0.027 2 320 60 33 ASP HB3 H 1.934 0.030 2 321 60 33 ASP C C 176.801 0.003 1 322 60 33 ASP CA C 53.123 0.076 1 323 60 33 ASP CB C 45.158 0.059 1 324 60 33 ASP N N 122.276 0.051 1 325 61 34 ASN H H 8.810 0.004 1 326 61 34 ASN HA H 4.491 0.015 1 327 61 34 ASN HB2 H 3.202 0.018 2 328 61 34 ASN HB3 H 2.772 0.005 2 329 61 34 ASN HD21 H 7.555 0.002 2 330 61 34 ASN HD22 H 6.936 0.001 2 331 61 34 ASN CA C 56.114 0.046 1 332 61 34 ASN CB C 37.444 0.047 1 333 61 34 ASN N N 123.137 0.058 1 334 61 34 ASN ND2 N 111.415 0.038 1 335 62 35 THR H H 9.831 0.007 1 336 62 35 THR HA H 4.409 0.003 1 337 62 35 THR HB H 4.334 0.016 1 338 62 35 THR HG2 H 1.229 0.004 1 339 62 35 THR C C 175.235 0.003 1 340 62 35 THR CA C 63.080 0.066 1 341 62 35 THR CB C 70.253 0.036 1 342 62 35 THR CG2 C 22.333 0.036 1 343 62 35 THR N N 113.526 0.031 1 344 63 36 TYR H H 7.835 0.004 1 345 63 36 TYR HA H 4.884 0.010 1 346 63 36 TYR HB2 H 3.407 0.013 2 347 63 36 TYR HB3 H 3.135 0.019 2 348 63 36 TYR HD1 H 7.063 0.007 3 349 63 36 TYR HE1 H 6.706 0.010 3 350 63 36 TYR C C 174.974 0.003 1 351 63 36 TYR CA C 56.646 0.084 1 352 63 36 TYR CB C 37.965 0.058 1 353 63 36 TYR CD1 C 132.179 0.089 3 354 63 36 TYR CE1 C 118.796 0.072 3 355 63 36 TYR N N 124.108 0.041 1 356 64 37 LYS H H 7.899 0.004 1 357 64 37 LYS HA H 4.578 0.004 1 358 64 37 LYS HB2 H 1.961 0.016 2 359 64 37 LYS HB3 H 1.670 0.012 2 360 64 37 LYS HG2 H 1.430 0.018 2 361 64 37 LYS HG3 H 1.402 0.012 2 362 64 37 LYS HD2 H 1.782 0.003 2 363 64 37 LYS HD3 H 1.704 0.008 2 364 64 37 LYS HE2 H 3.064 0.003 2 365 64 37 LYS HE3 H 3.026 0.003 2 366 64 37 LYS C C 176.252 0.003 1 367 64 37 LYS CA C 55.011 0.042 1 368 64 37 LYS CB C 34.892 0.045 1 369 64 37 LYS CG C 24.896 0.038 1 370 64 37 LYS CD C 29.417 0.060 1 371 64 37 LYS CE C 42.544 0.088 1 372 64 37 LYS N N 122.104 0.049 1 373 65 38 ARG H H 8.309 0.003 1 374 65 38 ARG HA H 4.070 0.015 1 375 65 38 ARG HB2 H 1.919 0.022 2 376 65 38 ARG HG2 H 1.758 0.007 2 377 65 38 ARG HD2 H 3.345 0.037 2 378 65 38 ARG C C 176.880 0.003 1 379 65 38 ARG CA C 58.718 0.063 1 380 65 38 ARG CB C 30.547 0.052 1 381 65 38 ARG CG C 27.468 0.052 1 382 65 38 ARG CD C 43.789 0.041 1 383 65 38 ARG N N 121.905 0.035 1 384 66 39 GLU H H 8.579 0.002 1 385 66 39 GLU HA H 4.307 0.021 1 386 66 39 GLU HB2 H 1.986 0.013 2 387 66 39 GLU HG2 H 2.273 0.017 2 388 66 39 GLU C C 175.950 0.003 1 389 66 39 GLU CA C 57.038 0.048 1 390 66 39 GLU CB C 30.196 0.089 1 391 66 39 GLU CG C 36.213 0.087 1 392 66 39 GLU N N 118.645 0.022 1 393 67 40 HIS H H 8.219 0.004 1 394 67 40 HIS HA H 4.740 0.002 1 395 67 40 HIS HB2 H 3.334 0.019 2 396 67 40 HIS HB3 H 3.193 0.023 2 397 67 40 HIS HD2 H 7.325 0.002 1 398 67 40 HIS C C 173.558 0.003 1 399 67 40 HIS CA C 55.804 0.021 1 400 67 40 HIS CB C 29.096 0.079 1 401 67 40 HIS CD2 C 120.280 0.053 1 402 67 40 HIS N N 118.248 0.031 1 403 68 41 ARG H H 8.129 0.003 1 404 68 41 ARG HA H 4.580 0.005 1 405 68 41 ARG HB2 H 1.857 0.017 2 406 68 41 ARG HB3 H 1.693 0.016 2 407 68 41 ARG HG2 H 1.675 0.003 2 408 68 41 ARG HG3 H 1.637 0.007 2 409 68 41 ARG HD2 H 3.226 0.020 2 410 68 41 ARG CA C 54.233 0.043 1 411 68 41 ARG CB C 30.552 0.032 1 412 68 41 ARG CG C 26.811 0.048 1 413 68 41 ARG CD C 43.947 0.053 1 414 68 41 ARG N N 122.229 0.023 1 415 69 42 PRO HA H 4.451 0.015 1 416 69 42 PRO HB2 H 2.241 0.016 2 417 69 42 PRO HB3 H 1.790 0.014 2 418 69 42 PRO HG2 H 1.979 0.003 2 419 69 42 PRO HG3 H 1.934 0.005 2 420 69 42 PRO HD2 H 3.602 0.018 2 421 69 42 PRO HD3 H 3.290 0.016 2 422 69 42 PRO CA C 62.974 0.065 1 423 69 42 PRO CB C 32.317 0.064 1 424 69 42 PRO CG C 27.409 0.062 1 425 69 42 PRO CD C 50.631 0.062 1 426 70 43 LEU H H 8.155 0.002 1 427 70 43 LEU HA H 4.378 0.017 1 428 70 43 LEU HB2 H 1.616 0.003 2 429 70 43 LEU HB3 H 1.542 0.016 2 430 70 43 LEU HG H 1.621 0.004 1 431 70 43 LEU HD1 H 0.987 0.009 2 432 70 43 LEU HD2 H 0.928 0.023 2 433 70 43 LEU C C 176.331 0.003 1 434 70 43 LEU CA C 54.787 0.046 1 435 70 43 LEU CB C 42.522 0.069 1 436 70 43 LEU CG C 27.282 0.059 1 437 70 43 LEU CD1 C 25.205 0.039 2 438 70 43 LEU CD2 C 24.217 0.084 2 439 70 43 LEU N N 121.673 0.031 1 440 71 44 LEU H H 7.880 0.003 1 441 71 44 LEU HA H 4.493 0.003 1 442 71 44 LEU HB2 H 1.685 0.012 2 443 71 44 LEU HB3 H 1.459 0.010 2 444 71 44 LEU HG H 1.569 0.012 1 445 71 44 LEU HD1 H 0.932 0.004 2 446 71 44 LEU CA C 55.222 0.037 1 447 71 44 LEU CB C 43.613 0.069 1 448 71 44 LEU CG C 27.488 0.042 1 449 71 44 LEU CD1 C 25.382 0.075 2 450 71 44 LEU N N 122.961 0.026 1 451 72 45 HIS HA H 4.714 0.011 1 452 72 45 HIS HB2 H 3.163 0.015 2 453 72 45 HIS HD2 H 7.258 0.019 1 454 72 45 HIS CA C 55.599 0.017 1 455 72 45 HIS CB C 29.491 0.027 1 456 72 45 HIS CD2 C 120.136 0.082 1 457 73 46 SER HA H 4.468 0.003 1 458 73 46 SER HB2 H 3.881 0.003 2 459 73 46 SER HB3 H 3.268 0.003 2 460 73 46 SER CA C 63.028 0.003 1 461 73 46 SER CB C 65.528 0.031 1 462 74 47 PHE HA H 5.726 0.022 1 463 74 47 PHE HB2 H 3.584 0.006 2 464 74 47 PHE HB3 H 3.175 0.011 2 465 74 47 PHE HD1 H 7.292 0.019 3 466 74 47 PHE HE1 H 7.214 0.007 3 467 74 47 PHE HZ H 7.391 0.004 1 468 74 47 PHE CA C 55.335 0.035 1 469 74 47 PHE CB C 40.367 0.053 1 470 74 47 PHE CD1 C 131.763 0.054 3 471 74 47 PHE CE1 C 130.771 0.057 3 472 74 47 PHE CZ C 129.392 0.114 1 473 75 48 ILE HA H 4.810 0.011 1 474 75 48 ILE HB H 1.629 0.002 1 475 75 48 ILE HG12 H 1.440 0.006 2 476 75 48 ILE HG13 H 0.919 0.008 2 477 75 48 ILE HG2 H 0.722 0.014 1 478 75 48 ILE HD1 H 0.668 0.005 1 479 75 48 ILE C C 174.055 0.003 1 480 75 48 ILE CA C 60.390 0.064 1 481 75 48 ILE CB C 41.890 0.030 1 482 75 48 ILE CG1 C 28.328 0.049 1 483 75 48 ILE CG2 C 18.205 0.022 1 484 75 48 ILE CD1 C 14.394 0.056 1 485 76 49 THR H H 8.935 0.002 1 486 76 49 THR HA H 5.045 0.016 1 487 76 49 THR HB H 3.532 0.017 1 488 76 49 THR HG2 H 0.850 0.015 1 489 76 49 THR C C 171.635 0.003 1 490 76 49 THR CA C 60.558 0.038 1 491 76 49 THR CB C 71.944 0.080 1 492 76 49 THR CG2 C 22.333 0.050 1 493 76 49 THR N N 121.000 0.026 1 494 77 50 LEU H H 8.817 0.003 1 495 77 50 LEU HA H 5.077 0.013 1 496 77 50 LEU HB2 H 1.693 0.014 2 497 77 50 LEU HB3 H 1.397 0.009 2 498 77 50 LEU HG H 1.396 0.009 1 499 77 50 LEU HD1 H 0.826 0.011 2 500 77 50 LEU HD2 H 0.800 0.011 2 501 77 50 LEU C C 175.287 0.003 1 502 77 50 LEU CA C 53.770 0.075 1 503 77 50 LEU CB C 44.864 0.041 1 504 77 50 LEU CG C 28.138 0.082 1 505 77 50 LEU CD1 C 25.436 0.042 2 506 77 50 LEU CD2 C 24.426 0.065 2 507 77 50 LEU N N 127.842 0.036 1 508 78 51 PHE H H 8.857 0.003 1 509 78 51 PHE HA H 4.737 0.005 1 510 78 51 PHE HB2 H 3.229 0.014 2 511 78 51 PHE HB3 H 2.554 0.006 2 512 78 51 PHE HD1 H 6.468 0.015 3 513 78 51 PHE HE1 H 6.625 0.005 3 514 78 51 PHE HZ H 6.757 0.004 1 515 78 51 PHE C C 175.732 0.003 1 516 78 51 PHE CA C 57.460 0.061 1 517 78 51 PHE CB C 41.164 0.069 1 518 78 51 PHE CD1 C 131.072 0.074 3 519 78 51 PHE CE1 C 131.470 0.070 3 520 78 51 PHE CZ C 128.725 0.074 1 521 78 51 PHE N N 124.677 0.032 1 522 79 52 LYS H H 9.109 0.003 1 523 79 52 LYS HA H 5.050 0.012 1 524 79 52 LYS HB2 H 2.065 0.012 2 525 79 52 LYS HB3 H 1.788 0.016 2 526 79 52 LYS HG2 H 1.478 0.014 2 527 79 52 LYS HD2 H 1.770 0.005 2 528 79 52 LYS HE2 H 3.040 0.012 2 529 79 52 LYS C C 174.919 0.003 1 530 79 52 LYS CA C 55.370 0.087 1 531 79 52 LYS CB C 35.218 0.074 1 532 79 52 LYS CG C 24.964 0.068 1 533 79 52 LYS CD C 29.228 0.051 1 534 79 52 LYS CE C 42.434 0.034 1 535 79 52 LYS N N 126.120 0.021 1 536 80 53 LEU H H 8.942 0.002 1 537 80 53 LEU HA H 4.475 0.010 1 538 80 53 LEU HB2 H 1.781 0.014 2 539 80 53 LEU HB3 H 1.221 0.014 2 540 80 53 LEU HG H 1.502 0.008 1 541 80 53 LEU HD1 H 0.604 0.013 2 542 80 53 LEU HD2 H 0.461 0.013 2 543 80 53 LEU C C 176.479 0.003 1 544 80 53 LEU CA C 55.702 0.044 1 545 80 53 LEU CB C 43.859 0.061 1 546 80 53 LEU CG C 26.972 0.028 1 547 80 53 LEU CD1 C 25.637 0.054 2 548 80 53 LEU CD2 C 23.515 0.052 2 549 80 53 LEU N N 130.211 0.014 1 550 81 54 ARG H H 8.843 0.005 1 551 81 54 ARG HA H 4.690 0.022 1 552 81 54 ARG HB2 H 2.058 0.024 2 553 81 54 ARG HB3 H 1.888 0.014 2 554 81 54 ARG HG2 H 1.682 0.027 2 555 81 54 ARG HD2 H 3.286 0.020 2 556 81 54 ARG HD3 H 3.234 0.019 2 557 81 54 ARG C C 176.101 0.003 1 558 81 54 ARG CA C 54.852 0.064 1 559 81 54 ARG CB C 32.180 0.039 1 560 81 54 ARG CG C 27.352 0.050 1 561 81 54 ARG CD C 43.565 0.078 1 562 81 54 ARG N N 126.383 0.028 1 563 82 55 ASP H H 8.427 0.004 1 564 82 55 ASP HA H 4.446 0.019 1 565 82 55 ASP HB2 H 2.813 0.019 2 566 82 55 ASP HB3 H 2.776 0.007 2 567 82 55 ASP C C 175.931 0.003 1 568 82 55 ASP CA C 55.884 0.065 1 569 82 55 ASP CB C 40.452 0.036 1 570 82 55 ASP N N 120.103 0.033 1 571 83 56 ASN H H 8.299 0.003 1 572 83 56 ASN HA H 4.571 0.013 1 573 83 56 ASN HB2 H 3.117 0.001 2 574 83 56 ASN HB3 H 2.976 0.038 2 575 83 56 ASN HD21 H 7.487 0.001 2 576 83 56 ASN HD22 H 6.567 0.003 2 577 83 56 ASN C C 175.398 0.003 1 578 83 56 ASN CA C 54.093 0.052 1 579 83 56 ASN CB C 37.938 0.042 1 580 83 56 ASN N N 115.260 0.046 1 581 83 56 ASN ND2 N 111.066 0.031 1 582 84 57 SER H H 8.174 0.003 1 583 84 57 SER HA H 4.022 0.011 1 584 84 57 SER HB2 H 4.255 0.028 2 585 84 57 SER HB3 H 4.130 0.064 2 586 84 57 SER C C 172.472 0.003 1 587 84 57 SER CA C 60.821 0.059 1 588 84 57 SER CB C 62.583 0.074 1 589 84 57 SER N N 108.486 0.025 1 590 85 58 GLU H H 7.438 0.002 1 591 85 58 GLU HA H 4.750 0.011 1 592 85 58 GLU HB2 H 2.149 0.007 2 593 85 58 GLU HB3 H 2.034 0.003 2 594 85 58 GLU HG2 H 2.570 0.034 2 595 85 58 GLU HG3 H 2.554 0.033 2 596 85 58 GLU C C 175.896 0.003 1 597 85 58 GLU CA C 55.795 0.052 1 598 85 58 GLU CB C 30.615 0.049 1 599 85 58 GLU CG C 35.801 0.035 1 600 85 58 GLU N N 116.855 0.029 1 601 86 59 PHE H H 8.520 0.002 1 602 86 59 PHE HA H 5.665 0.010 1 603 86 59 PHE HB2 H 2.780 0.012 2 604 86 59 PHE HB3 H 2.592 0.020 2 605 86 59 PHE HD1 H 6.911 0.010 3 606 86 59 PHE HE1 H 7.369 0.016 3 607 86 59 PHE HZ H 7.845 0.011 1 608 86 59 PHE C C 175.855 0.003 1 609 86 59 PHE CA C 57.046 0.044 1 610 86 59 PHE CB C 43.399 0.048 1 611 86 59 PHE CD1 C 131.957 0.063 3 612 86 59 PHE CE1 C 131.454 0.081 3 613 86 59 PHE CZ C 129.960 0.086 1 614 86 59 PHE N N 115.342 0.029 1 615 87 60 GLN H H 9.551 0.003 1 616 87 60 GLN HA H 4.501 0.003 1 617 87 60 GLN HB2 H 2.159 0.003 2 618 87 60 GLN HB3 H 2.052 0.022 2 619 87 60 GLN HG2 H 2.197 0.026 2 620 87 60 GLN HE21 H 7.168 0.002 2 621 87 60 GLN HE22 H 6.757 0.001 2 622 87 60 GLN C C 174.911 0.003 1 623 87 60 GLN CA C 55.923 0.058 1 624 87 60 GLN CB C 30.244 0.105 1 625 87 60 GLN CG C 33.855 0.094 1 626 87 60 GLN N N 122.825 0.019 1 627 87 60 GLN NE2 N 111.008 0.031 1 628 88 61 VAL H H 9.044 0.002 1 629 88 61 VAL HA H 4.576 0.007 1 630 88 61 VAL HB H 0.503 0.011 1 631 88 61 VAL HG1 H 0.006 0.009 2 632 88 61 VAL HG2 H -0.109 0.012 2 633 88 61 VAL C C 175.520 0.003 1 634 88 61 VAL CA C 60.920 0.061 1 635 88 61 VAL CB C 32.272 0.033 1 636 88 61 VAL CG1 C 21.699 0.036 2 637 88 61 VAL CG2 C 21.041 0.077 2 638 88 61 VAL N N 131.512 0.051 1 639 89 62 THR H H 8.573 0.003 1 640 89 62 THR HA H 4.540 0.015 1 641 89 62 THR HB H 3.762 0.015 1 642 89 62 THR HG2 H 1.041 0.013 1 643 89 62 THR C C 172.483 0.003 1 644 89 62 THR CA C 62.021 0.052 1 645 89 62 THR CB C 70.739 0.031 1 646 89 62 THR CG2 C 21.792 0.035 1 647 89 62 THR N N 122.143 0.042 1 648 90 63 ASN H H 8.465 0.005 1 649 90 63 ASN HA H 5.398 0.019 1 650 90 63 ASN C C 173.713 0.003 1 651 90 63 ASN CA C 51.926 0.054 1 652 90 63 ASN CB C 40.916 0.003 1 653 90 63 ASN N N 124.984 0.048 1 654 91 64 SER H H 8.819 0.005 1 655 91 64 SER HA H 5.396 0.017 1 656 91 64 SER HB2 H 3.712 0.021 2 657 91 64 SER HB3 H 3.591 0.030 2 658 91 64 SER C C 172.823 0.003 1 659 91 64 SER CA C 57.383 0.053 1 660 91 64 SER CB C 65.621 0.102 1 661 91 64 SER N N 115.480 0.027 1 662 92 65 MET H H 9.156 0.013 1 663 92 65 MET HA H 5.342 0.019 1 664 92 65 MET HB2 H 2.140 0.012 2 665 92 65 MET HB3 H 1.909 0.016 2 666 92 65 MET HG2 H 2.403 0.006 2 667 92 65 MET HG3 H 2.358 0.011 2 668 92 65 MET HE H 1.799 0.016 1 669 92 65 MET CA C 54.757 0.079 1 670 92 65 MET CB C 37.587 0.050 1 671 92 65 MET CG C 31.790 0.043 1 672 92 65 MET CE C 17.197 0.049 1 673 92 65 MET N N 125.812 0.077 1 674 93 66 THR HA H 5.106 0.012 1 675 93 66 THR HB H 4.188 0.002 1 676 93 66 THR HG2 H 1.163 0.016 1 677 93 66 THR C C 173.690 0.003 1 678 93 66 THR CA C 61.406 0.089 1 679 93 66 THR CB C 70.289 0.079 1 680 93 66 THR CG2 C 23.040 0.133 1 681 94 67 ARG H H 8.381 0.003 1 682 94 67 ARG HA H 4.727 0.014 1 683 94 67 ARG HB2 H 1.837 0.039 2 684 94 67 ARG HB3 H 1.690 0.030 2 685 94 67 ARG HG2 H 1.512 0.013 2 686 94 67 ARG HD2 H 3.173 0.023 2 687 94 67 ARG C C 179.805 0.003 1 688 94 67 ARG CA C 55.202 0.028 1 689 94 67 ARG CB C 32.098 0.055 1 690 94 67 ARG CG C 27.571 0.044 1 691 94 67 ARG CD C 43.859 0.048 1 692 94 67 ARG N N 126.453 0.060 1 693 95 68 GLY H H 9.038 0.005 1 694 95 68 GLY HA2 H 4.120 0.011 2 695 95 68 GLY HA3 H 3.802 0.014 2 696 95 68 GLY C C 174.434 0.003 1 697 95 68 GLY CA C 47.466 0.040 1 698 95 68 GLY N N 116.785 0.051 1 699 96 69 LYS H H 8.770 0.003 1 700 96 69 LYS HA H 4.376 0.018 1 701 96 69 LYS HB2 H 1.954 0.028 2 702 96 69 LYS HB3 H 1.594 0.014 2 703 96 69 LYS HG2 H 1.388 0.006 2 704 96 69 LYS HD2 H 1.679 0.008 2 705 96 69 LYS HD3 H 1.453 0.003 2 706 96 69 LYS HE2 H 3.014 0.017 2 707 96 69 LYS C C 175.512 0.003 1 708 96 69 LYS CA C 56.111 0.036 1 709 96 69 LYS CB C 32.316 0.056 1 710 96 69 LYS CG C 25.181 0.067 1 711 96 69 LYS CD C 29.257 0.017 1 712 96 69 LYS CE C 42.354 0.069 1 713 96 69 LYS N N 124.690 0.037 1 714 97 70 HIS H H 8.035 0.003 1 715 97 70 HIS HA H 4.988 0.013 1 716 97 70 HIS HB2 H 3.432 0.003 2 717 97 70 HIS HB3 H 3.317 0.027 2 718 97 70 HIS HD2 H 7.364 0.008 1 719 97 70 HIS C C 173.278 0.003 1 720 97 70 HIS CA C 55.227 0.057 1 721 97 70 HIS CB C 31.304 0.058 1 722 97 70 HIS CD2 C 120.573 0.043 1 723 97 70 HIS N N 117.252 0.033 1 724 98 71 CYS H H 8.814 0.004 1 725 98 71 CYS HA H 5.353 0.012 1 726 98 71 CYS HB2 H 3.125 0.015 2 727 98 71 CYS HB3 H 3.083 0.009 2 728 98 71 CYS C C 173.921 0.003 1 729 98 71 CYS CA C 55.695 0.049 1 730 98 71 CYS CB C 43.548 0.082 1 731 98 71 CYS N N 123.828 0.029 1 732 99 72 SER H H 9.021 0.003 1 733 99 72 SER HA H 5.028 0.019 1 734 99 72 SER HB2 H 4.010 0.003 2 735 99 72 SER HB3 H 3.924 0.013 2 736 99 72 SER C C 172.817 0.003 1 737 99 72 SER CA C 58.084 0.043 1 738 99 72 SER CB C 66.039 0.064 1 739 99 72 SER N N 121.290 0.035 1 740 100 73 THR H H 8.524 0.002 1 741 100 73 THR HA H 5.893 0.015 1 742 100 73 THR HB H 4.095 0.012 1 743 100 73 THR HG2 H 1.194 0.014 1 744 100 73 THR C C 173.700 0.003 1 745 100 73 THR CA C 60.021 0.054 1 746 100 73 THR CB C 72.256 0.047 1 747 100 73 THR CG2 C 21.018 0.026 1 748 100 73 THR N N 116.809 0.026 1 749 101 74 TRP H H 8.403 0.004 1 750 101 74 TRP HA H 5.148 0.015 1 751 101 74 TRP HB2 H 3.678 0.020 2 752 101 74 TRP HB3 H 3.405 0.016 2 753 101 74 TRP HD1 H 7.242 0.006 1 754 101 74 TRP HE1 H 10.278 0.002 1 755 101 74 TRP HE3 H 6.815 0.003 1 756 101 74 TRP HZ2 H 7.368 0.009 1 757 101 74 TRP HZ3 H 6.577 0.011 1 758 101 74 TRP HH2 H 6.698 0.010 1 759 101 74 TRP C C 173.808 0.003 1 760 101 74 TRP CA C 58.102 0.056 1 761 101 74 TRP CB C 31.943 0.083 1 762 101 74 TRP CD1 C 127.618 0.019 1 763 101 74 TRP CE3 C 122.100 0.003 1 764 101 74 TRP CZ2 C 114.827 0.065 1 765 101 74 TRP CZ3 C 117.740 0.063 1 766 101 74 TRP CH2 C 124.932 0.046 1 767 101 74 TRP N N 124.403 0.066 1 768 101 74 TRP NE1 N 129.249 0.018 1 769 102 75 SER H H 8.853 0.003 1 770 102 75 SER HA H 5.729 0.013 1 771 102 75 SER HB2 H 3.759 0.020 2 772 102 75 SER HB3 H 3.728 0.005 2 773 102 75 SER C C 173.070 0.003 1 774 102 75 SER CA C 57.009 0.042 1 775 102 75 SER CB C 67.616 0.056 1 776 102 75 SER N N 116.643 0.024 1 777 103 76 TYR H H 8.463 0.003 1 778 103 76 TYR HA H 4.997 0.020 1 779 103 76 TYR HB2 H 3.421 0.012 2 780 103 76 TYR HB3 H 3.223 0.026 2 781 103 76 TYR HD1 H 6.754 0.009 3 782 103 76 TYR HE1 H 6.815 0.003 3 783 103 76 TYR C C 172.848 0.003 1 784 103 76 TYR CA C 56.935 0.062 1 785 103 76 TYR CB C 39.821 0.062 1 786 103 76 TYR CD1 C 133.518 0.060 3 787 103 76 TYR CE1 C 118.279 0.003 3 788 103 76 TYR N N 117.437 0.020 1 789 104 77 THR H H 8.896 0.002 1 790 104 77 THR HA H 5.382 0.019 1 791 104 77 THR HB H 4.179 0.011 1 792 104 77 THR HG2 H 1.304 0.011 1 793 104 77 THR C C 173.792 0.003 1 794 104 77 THR CA C 61.948 0.068 1 795 104 77 THR CB C 71.528 0.050 1 796 104 77 THR CG2 C 22.802 0.085 1 797 104 77 THR N N 116.569 0.046 1 798 105 78 LEU H H 9.480 0.002 1 799 105 78 LEU HA H 5.306 0.014 1 800 105 78 LEU HB2 H 1.833 0.014 2 801 105 78 LEU HB3 H 1.443 0.017 2 802 105 78 LEU HG H 1.703 0.013 1 803 105 78 LEU HD1 H 0.600 0.007 2 804 105 78 LEU HD2 H 0.926 0.011 2 805 105 78 LEU C C 175.205 0.003 1 806 105 78 LEU CA C 53.317 0.066 1 807 105 78 LEU CB C 45.160 0.054 1 808 105 78 LEU CG C 26.212 0.055 1 809 105 78 LEU CD1 C 25.825 0.057 2 810 105 78 LEU CD2 C 23.702 0.056 2 811 105 78 LEU N N 125.367 0.023 1 812 106 79 ILE H H 9.349 0.003 1 813 106 79 ILE HA H 4.967 0.010 1 814 106 79 ILE HB H 2.156 0.012 1 815 106 79 ILE HG12 H 1.667 0.012 2 816 106 79 ILE HG13 H 1.328 0.016 2 817 106 79 ILE HG2 H 1.176 0.015 1 818 106 79 ILE HD1 H 0.933 0.015 1 819 106 79 ILE CA C 58.004 0.069 1 820 106 79 ILE CB C 40.000 0.051 1 821 106 79 ILE CG1 C 27.827 0.044 1 822 106 79 ILE CG2 C 17.226 0.050 1 823 106 79 ILE CD1 C 13.078 0.045 1 824 106 79 ILE N N 123.377 0.044 1 825 107 80 PRO HA H 4.589 0.018 1 826 107 80 PRO HB2 H 2.341 0.021 2 827 107 80 PRO HB3 H 2.149 0.015 2 828 107 80 PRO HG2 H 2.201 0.016 2 829 107 80 PRO HG3 H 1.327 0.001 2 830 107 80 PRO HD2 H 4.089 0.019 2 831 107 80 PRO C C 177.404 0.003 1 832 107 80 PRO CA C 63.863 0.075 1 833 107 80 PRO CB C 32.994 0.055 1 834 107 80 PRO CG C 27.805 0.060 1 835 107 80 PRO CD C 52.011 0.047 1 836 108 81 THR H H 7.705 0.003 1 837 108 81 THR HA H 4.734 0.004 1 838 108 81 THR HB H 4.500 0.001 1 839 108 81 THR HG2 H 1.169 0.016 1 840 108 81 THR C C 174.108 0.003 1 841 108 81 THR CA C 60.415 0.058 1 842 108 81 THR CB C 70.164 0.043 1 843 108 81 THR CG2 C 21.770 0.079 1 844 108 81 THR N N 111.825 0.037 1 845 109 82 ASN H H 8.242 0.003 1 846 109 82 ASN HA H 4.640 0.011 1 847 109 82 ASN HB2 H 3.012 0.042 2 848 109 82 ASN HB3 H 2.945 0.025 2 849 109 82 ASN HD21 H 7.499 0.001 2 850 109 82 ASN HD22 H 6.831 0.002 2 851 109 82 ASN C C 174.865 0.003 1 852 109 82 ASN CA C 54.302 0.048 1 853 109 82 ASN CB C 38.051 0.016 1 854 109 82 ASN N N 115.482 0.024 1 855 109 82 ASN ND2 N 111.863 0.056 1 856 110 83 LYS H H 7.847 0.003 1 857 110 83 LYS HA H 4.811 0.005 1 858 110 83 LYS HB2 H 1.598 0.035 2 859 110 83 LYS HB3 H 1.453 0.023 2 860 110 83 LYS HG2 H 1.403 0.001 2 861 110 83 LYS HG3 H 1.334 0.024 2 862 110 83 LYS HD2 H 1.594 0.015 2 863 110 83 LYS HE2 H 2.958 0.014 2 864 110 83 LYS CA C 53.087 0.047 1 865 110 83 LYS CB C 33.395 0.053 1 866 110 83 LYS CG C 24.736 0.076 1 867 110 83 LYS CD C 29.165 0.032 1 868 110 83 LYS CE C 42.462 0.080 1 869 110 83 LYS N N 121.851 0.023 1 870 111 84 PRO HA H 4.308 0.015 1 871 111 84 PRO HB2 H 2.163 0.015 2 872 111 84 PRO HB3 H 1.678 0.014 2 873 111 84 PRO HG2 H 2.032 0.015 2 874 111 84 PRO HD2 H 3.957 0.037 2 875 111 84 PRO HD3 H 3.685 0.069 2 876 111 84 PRO C C 177.774 0.003 1 877 111 84 PRO CA C 63.670 0.097 1 878 111 84 PRO CB C 32.172 0.070 1 879 111 84 PRO CG C 27.747 0.095 1 880 111 84 PRO CD C 51.169 0.081 1 881 112 85 GLY H H 8.492 0.003 1 882 112 85 GLY HA2 H 3.470 0.010 2 883 112 85 GLY HA3 H 2.105 0.020 2 884 112 85 GLY C C 170.605 0.003 1 885 112 85 GLY CA C 45.816 0.079 1 886 112 85 GLY N N 111.572 0.027 1 887 113 86 GLN H H 7.284 0.003 1 888 113 86 GLN HA H 5.150 0.042 1 889 113 86 GLN HB2 H 2.154 0.023 2 890 113 86 GLN HB3 H 1.638 0.017 2 891 113 86 GLN HG2 H 2.178 0.023 2 892 113 86 GLN HG3 H 2.115 0.023 2 893 113 86 GLN HE21 H 7.368 0.002 2 894 113 86 GLN HE22 H 6.793 0.002 2 895 113 86 GLN C C 174.562 0.003 1 896 113 86 GLN CA C 54.931 0.072 1 897 113 86 GLN CB C 30.376 0.053 1 898 113 86 GLN CG C 35.090 0.061 1 899 113 86 GLN N N 119.178 0.034 1 900 113 86 GLN NE2 N 111.613 0.055 1 901 114 87 PHE H H 9.405 0.003 1 902 114 87 PHE HA H 5.518 0.010 1 903 114 87 PHE HB2 H 3.143 0.018 2 904 114 87 PHE HB3 H 2.685 0.013 2 905 114 87 PHE HD1 H 6.853 0.009 3 906 114 87 PHE HE1 H 6.953 0.013 3 907 114 87 PHE HZ H 7.313 0.003 1 908 114 87 PHE C C 175.232 0.003 1 909 114 87 PHE CA C 56.819 0.060 1 910 114 87 PHE CB C 46.451 0.060 1 911 114 87 PHE CD1 C 132.316 0.063 3 912 114 87 PHE CE1 C 130.759 0.066 3 913 114 87 PHE CZ C 130.287 0.003 1 914 114 87 PHE N N 123.390 0.051 1 915 115 88 THR H H 9.524 0.003 1 916 115 88 THR HA H 5.302 0.019 1 917 115 88 THR HB H 4.185 0.021 1 918 115 88 THR HG2 H 1.271 0.023 1 919 115 88 THR C C 173.785 0.003 1 920 115 88 THR CA C 60.600 0.067 1 921 115 88 THR CB C 71.556 0.048 1 922 115 88 THR CG2 C 21.829 0.049 1 923 115 88 THR N N 114.701 0.035 1 924 116 89 ARG H H 8.342 0.004 1 925 116 89 ARG HA H 5.008 0.017 1 926 116 89 ARG HB2 H 1.979 0.008 2 927 116 89 ARG HB3 H 1.507 0.015 2 928 116 89 ARG HG2 H 1.591 0.016 2 929 116 89 ARG HD2 H 2.853 0.014 2 930 116 89 ARG HD3 H 2.597 0.018 2 931 116 89 ARG C C 175.827 0.003 1 932 116 89 ARG CA C 56.163 0.060 1 933 116 89 ARG CB C 32.414 0.052 1 934 116 89 ARG CG C 27.258 0.047 1 935 116 89 ARG CD C 43.801 0.042 1 936 116 89 ARG N N 124.093 0.018 1 937 117 90 ASP H H 8.861 0.004 1 938 117 90 ASP HA H 4.723 0.031 1 939 117 90 ASP HB2 H 2.987 0.016 2 940 117 90 ASP HB3 H 2.641 0.013 2 941 117 90 ASP C C 175.785 0.003 1 942 117 90 ASP CA C 54.740 0.052 1 943 117 90 ASP CB C 41.969 0.060 1 944 117 90 ASP N N 126.448 0.027 1 945 118 91 ASN H H 8.613 0.003 1 946 118 91 ASN HA H 5.048 0.008 1 947 118 91 ASN HB2 H 2.992 0.016 2 948 118 91 ASN HB3 H 2.926 0.018 2 949 118 91 ASN HD21 H 7.485 0.003 2 950 118 91 ASN HD22 H 6.885 0.003 2 951 118 91 ASN C C 175.952 0.003 1 952 118 91 ASN CA C 53.128 0.049 1 953 118 91 ASN CB C 39.566 0.052 1 954 118 91 ASN N N 124.592 0.020 1 955 118 91 ASN ND2 N 112.174 0.034 1 956 119 92 ARG H H 8.417 0.003 1 957 119 92 ARG HA H 4.281 0.016 1 958 119 92 ARG HB2 H 1.996 0.011 2 959 119 92 ARG HG2 H 1.816 0.019 2 960 119 92 ARG HG3 H 1.779 0.016 2 961 119 92 ARG HD2 H 3.328 0.019 2 962 119 92 ARG C C 177.359 0.003 1 963 119 92 ARG CA C 58.114 0.047 1 964 119 92 ARG CB C 30.294 0.069 1 965 119 92 ARG CG C 27.373 0.050 1 966 119 92 ARG CD C 43.689 0.068 1 967 119 92 ARG N N 121.646 0.017 1 968 120 93 GLY H H 8.608 0.003 1 969 120 93 GLY HA2 H 4.103 0.021 2 970 120 93 GLY HA3 H 4.064 0.044 2 971 120 93 GLY C C 174.465 0.003 1 972 120 93 GLY CA C 45.729 0.031 1 973 120 93 GLY N N 109.955 0.017 1 974 121 94 SER H H 7.987 0.003 1 975 121 94 SER HA H 4.615 0.007 1 976 121 94 SER HB2 H 4.011 0.002 2 977 121 94 SER HB3 H 3.973 0.010 2 978 121 94 SER C C 174.457 0.003 1 979 121 94 SER CA C 58.737 0.059 1 980 121 94 SER CB C 64.599 0.061 1 981 121 94 SER N N 115.121 0.020 1 982 122 95 GLY H H 8.245 0.005 1 983 122 95 GLY HA2 H 4.228 0.043 2 984 122 95 GLY HA3 H 4.191 0.003 2 985 122 95 GLY CA C 44.944 0.040 1 986 122 95 GLY N N 110.300 0.018 1 987 123 96 PRO HA H 4.492 0.010 1 988 123 96 PRO HB2 H 2.340 0.001 2 989 123 96 PRO HB3 H 2.002 0.008 2 990 123 96 PRO HG2 H 2.085 0.005 2 991 123 96 PRO HD2 H 3.750 0.002 2 992 123 96 PRO HD3 H 3.718 0.007 2 993 123 96 PRO C C 177.864 0.003 1 994 123 96 PRO CA C 64.019 0.058 1 995 123 96 PRO CB C 32.166 0.026 1 996 123 96 PRO CG C 27.530 0.041 1 997 123 96 PRO CD C 50.104 0.020 1 998 124 97 GLY H H 8.530 0.003 1 999 124 97 GLY HA2 H 3.990 0.015 2 1000 124 97 GLY C C 174.026 0.003 1 1001 124 97 GLY CA C 45.739 0.034 1 1002 124 97 GLY N N 109.466 0.012 1 1003 125 98 ALA H H 7.632 0.004 1 1004 125 98 ALA HA H 4.344 0.027 1 1005 125 98 ALA HB H 1.429 0.013 1 1006 125 98 ALA C C 177.079 0.003 1 1007 125 98 ALA CA C 52.636 0.046 1 1008 125 98 ALA CB C 19.791 0.043 1 1009 125 98 ALA N N 123.068 0.022 1 1010 126 99 ASP H H 8.215 0.003 1 1011 126 99 ASP HA H 4.735 0.001 1 1012 126 99 ASP HB2 H 2.701 0.033 2 1013 126 99 ASP HB3 H 2.641 0.020 2 1014 126 99 ASP C C 175.625 0.003 1 1015 126 99 ASP CA C 54.506 0.071 1 1016 126 99 ASP CB C 41.300 0.048 1 1017 126 99 ASP N N 120.319 0.023 1 1018 127 100 LYS H H 8.151 0.003 1 1019 127 100 LYS HA H 4.647 0.008 1 1020 127 100 LYS HB2 H 1.928 0.001 2 1021 127 100 LYS HB3 H 1.831 0.021 2 1022 127 100 LYS HG2 H 1.526 0.019 2 1023 127 100 LYS HD2 H 1.751 0.011 2 1024 127 100 LYS HE2 H 3.069 0.019 2 1025 127 100 LYS C C 175.462 0.003 1 1026 127 100 LYS CA C 55.976 0.064 1 1027 127 100 LYS CB C 34.494 0.060 1 1028 127 100 LYS CG C 25.055 0.062 1 1029 127 100 LYS CD C 29.491 0.058 1 1030 127 100 LYS CE C 42.432 0.051 1 1031 127 100 LYS N N 121.388 0.018 1 1032 128 101 GLU H H 8.714 0.003 1 1033 128 101 GLU HA H 5.117 0.013 1 1034 128 101 GLU HB2 H 1.874 0.016 2 1035 128 101 GLU HB3 H 1.815 0.017 2 1036 128 101 GLU HG2 H 2.096 0.006 2 1037 128 101 GLU HG3 H 2.008 0.028 2 1038 128 101 GLU C C 173.799 0.003 1 1039 128 101 GLU CA C 55.812 0.054 1 1040 128 101 GLU CB C 33.367 0.050 1 1041 128 101 GLU CG C 35.890 0.093 1 1042 128 101 GLU N N 123.777 0.033 1 1043 129 102 ASN H H 8.659 0.003 1 1044 129 102 ASN HA H 5.418 0.011 1 1045 129 102 ASN HB2 H 2.820 0.027 2 1046 129 102 ASN HB3 H 2.782 0.013 2 1047 129 102 ASN HD21 H 7.310 0.006 2 1048 129 102 ASN HD22 H 6.657 0.001 2 1049 129 102 ASN C C 173.786 0.003 1 1050 129 102 ASN CA C 52.706 0.058 1 1051 129 102 ASN CB C 41.960 0.036 1 1052 129 102 ASN N N 124.926 0.036 1 1053 129 102 ASN ND2 N 110.998 0.021 1 1054 130 103 ILE H H 8.996 0.003 1 1055 130 103 ILE HA H 5.049 0.018 1 1056 130 103 ILE HB H 1.673 0.013 1 1057 130 103 ILE HG12 H 1.485 0.016 2 1058 130 103 ILE HG13 H 1.221 0.011 2 1059 130 103 ILE HG2 H 0.795 0.017 1 1060 130 103 ILE HD1 H 0.821 0.011 1 1061 130 103 ILE C C 173.811 0.003 1 1062 130 103 ILE CA C 60.206 0.060 1 1063 130 103 ILE CB C 41.793 0.041 1 1064 130 103 ILE CG1 C 29.368 0.053 1 1065 130 103 ILE CG2 C 18.056 0.065 1 1066 130 103 ILE CD1 C 14.650 0.045 1 1067 130 103 ILE N N 124.175 0.034 1 1068 131 104 GLN H H 9.376 0.003 1 1069 131 104 GLN HA H 5.178 0.015 1 1070 131 104 GLN HB2 H 1.939 0.012 2 1071 131 104 GLN HG2 H 2.011 0.013 2 1072 131 104 GLN HE21 H 7.441 0.002 2 1073 131 104 GLN HE22 H 6.510 0.001 2 1074 131 104 GLN C C 175.043 0.003 1 1075 131 104 GLN CA C 53.825 0.057 1 1076 131 104 GLN CB C 32.557 0.062 1 1077 131 104 GLN CG C 33.806 0.058 1 1078 131 104 GLN N N 125.580 0.030 1 1079 131 104 GLN NE2 N 109.326 0.036 1 1080 132 105 VAL H H 8.959 0.004 1 1081 132 105 VAL HA H 3.989 0.016 1 1082 132 105 VAL HB H 1.747 0.014 1 1083 132 105 VAL HG1 H 0.614 0.015 2 1084 132 105 VAL HG2 H 0.313 0.013 2 1085 132 105 VAL C C 174.617 0.003 1 1086 132 105 VAL CA C 63.374 0.057 1 1087 132 105 VAL CB C 30.381 0.088 1 1088 132 105 VAL CG1 C 21.752 0.041 2 1089 132 105 VAL CG2 C 19.922 0.046 2 1090 132 105 VAL N N 127.598 0.047 1 1091 133 106 ILE H H 8.622 0.002 1 1092 133 106 ILE HA H 3.962 0.014 1 1093 133 106 ILE HB H 1.752 0.015 1 1094 133 106 ILE HG12 H 1.589 0.015 2 1095 133 106 ILE HG13 H 1.227 0.013 2 1096 133 106 ILE HG2 H 0.855 0.011 1 1097 133 106 ILE HD1 H 0.621 0.014 1 1098 133 106 ILE C C 175.747 0.003 1 1099 133 106 ILE CA C 60.754 0.097 1 1100 133 106 ILE CB C 37.419 0.037 1 1101 133 106 ILE CG1 C 27.230 0.053 1 1102 133 106 ILE CG2 C 17.485 0.053 1 1103 133 106 ILE CD1 C 9.308 0.057 1 1104 133 106 ILE N N 130.448 0.032 1 1105 134 107 GLU H H 7.144 0.004 1 1106 134 107 GLU HA H 4.734 0.002 1 1107 134 107 GLU HB2 H 2.286 0.013 2 1108 134 107 GLU HB3 H 2.259 0.011 2 1109 134 107 GLU HG2 H 2.547 0.003 2 1110 134 107 GLU HG3 H 2.472 0.036 2 1111 134 107 GLU C C 174.139 0.003 1 1112 134 107 GLU CA C 55.766 0.044 1 1113 134 107 GLU CB C 34.655 0.056 1 1114 134 107 GLU CG C 36.624 0.031 1 1115 134 107 GLU N N 113.908 0.041 1 1116 135 108 THR H H 8.372 0.003 1 1117 135 108 THR HA H 4.032 0.010 1 1118 135 108 THR HB H 4.139 0.012 1 1119 135 108 THR HG2 H 0.417 0.010 1 1120 135 108 THR C C 169.618 0.003 1 1121 135 108 THR CA C 60.553 0.056 1 1122 135 108 THR CB C 69.354 0.053 1 1123 135 108 THR CG2 C 17.228 0.032 1 1124 135 108 THR N N 116.916 0.026 1 1125 136 109 ASP H H 7.161 0.005 1 1126 136 109 ASP HA H 4.900 0.005 1 1127 136 109 ASP HB2 H 3.364 0.019 2 1128 136 109 ASP HB3 H 2.715 0.017 2 1129 136 109 ASP CA C 53.109 0.030 1 1130 136 109 ASP CB C 42.339 0.051 1 1131 136 109 ASP N N 123.846 0.021 1 1132 137 110 TYR H H 9.033 0.004 1 1133 137 110 TYR HA H 3.849 0.014 1 1134 137 110 TYR HB2 H 3.733 0.021 2 1135 137 110 TYR HB3 H 3.042 0.011 2 1136 137 110 TYR HD1 H 6.918 0.007 3 1137 137 110 TYR HE1 H 6.586 0.006 3 1138 137 110 TYR C C 176.319 0.003 1 1139 137 110 TYR CA C 66.425 0.074 1 1140 137 110 TYR CB C 37.261 0.057 1 1141 137 110 TYR CD1 C 132.800 0.109 3 1142 137 110 TYR CE1 C 119.115 0.050 3 1143 137 110 TYR N N 116.878 0.020 1 1144 138 111 VAL H H 8.909 0.003 1 1145 138 111 VAL HA H 4.337 0.008 1 1146 138 111 VAL HB H 2.403 0.015 1 1147 138 111 VAL HG1 H 1.100 0.021 2 1148 138 111 VAL HG2 H 1.008 0.013 2 1149 138 111 VAL C C 176.169 0.003 1 1150 138 111 VAL CA C 62.099 0.051 1 1151 138 111 VAL CB C 33.308 0.043 1 1152 138 111 VAL CG1 C 21.962 0.055 2 1153 138 111 VAL CG2 C 18.804 0.035 2 1154 138 111 VAL N N 113.629 0.034 1 1155 139 112 LYS H H 9.202 0.002 1 1156 139 112 LYS HA H 4.799 0.005 1 1157 139 112 LYS HB2 H 2.804 0.015 2 1158 139 112 LYS HB3 H 2.396 0.014 2 1159 139 112 LYS HG2 H 1.599 0.012 2 1160 139 112 LYS HD2 H 1.891 0.016 2 1161 139 112 LYS HE2 H 3.086 0.007 2 1162 139 112 LYS CA C 59.217 0.059 1 1163 139 112 LYS CB C 35.829 0.062 1 1164 139 112 LYS CG C 25.694 0.051 1 1165 139 112 LYS CD C 29.106 0.064 1 1166 139 112 LYS CE C 42.576 0.059 1 1167 139 112 LYS N N 122.919 0.032 1 1168 140 113 PHE H H 9.900 0.002 1 1169 140 113 PHE HA H 6.558 0.012 1 1170 140 113 PHE HB2 H 3.204 0.015 2 1171 140 113 PHE HD1 H 7.164 0.008 3 1172 140 113 PHE HE1 H 7.297 0.015 3 1173 140 113 PHE C C 174.166 0.003 1 1174 140 113 PHE CA C 56.928 0.046 1 1175 140 113 PHE CB C 45.144 0.055 1 1176 140 113 PHE CD1 C 132.490 0.108 3 1177 140 113 PHE CE1 C 131.149 0.071 3 1178 140 113 PHE N N 120.279 0.040 1 1179 141 114 ALA H H 9.193 0.003 1 1180 141 114 ALA HA H 4.589 0.007 1 1181 141 114 ALA HB H 0.767 0.016 1 1182 141 114 ALA C C 174.518 0.003 1 1183 141 114 ALA CA C 51.862 0.072 1 1184 141 114 ALA CB C 22.500 0.091 1 1185 141 114 ALA N N 122.692 0.037 1 1186 142 115 LEU H H 8.749 0.003 1 1187 142 115 LEU HA H 5.481 0.018 1 1188 142 115 LEU HB2 H 1.905 0.017 2 1189 142 115 LEU HB3 H 1.386 0.014 2 1190 142 115 LEU HG H 1.979 0.015 1 1191 142 115 LEU HD1 H 1.215 0.005 2 1192 142 115 LEU HD2 H 1.293 0.008 2 1193 142 115 LEU C C 175.602 0.003 1 1194 142 115 LEU CA C 53.646 0.055 1 1195 142 115 LEU CB C 44.669 0.057 1 1196 142 115 LEU CG C 27.546 0.054 1 1197 142 115 LEU CD1 C 26.715 0.063 2 1198 142 115 LEU CD2 C 25.975 0.069 2 1199 142 115 LEU N N 120.693 0.026 1 1200 143 116 VAL H H 8.907 0.002 1 1201 143 116 VAL HA H 4.775 0.017 1 1202 143 116 VAL HB H 1.953 0.014 1 1203 143 116 VAL HG1 H 0.695 0.014 2 1204 143 116 VAL C C 173.286 0.003 1 1205 143 116 VAL CA C 61.550 0.068 1 1206 143 116 VAL CB C 35.507 0.060 1 1207 143 116 VAL CG1 C 21.624 0.086 2 1208 143 116 VAL N N 123.649 0.024 1 1209 144 117 LEU H H 9.216 0.003 1 1210 144 117 LEU HA H 5.219 0.025 1 1211 144 117 LEU HB2 H 1.927 0.013 2 1212 144 117 LEU HB3 H 1.208 0.022 2 1213 144 117 LEU HG H 1.570 0.003 1 1214 144 117 LEU HD1 H 0.808 0.013 2 1215 144 117 LEU HD2 H 0.835 0.014 2 1216 144 117 LEU C C 174.397 0.003 1 1217 144 117 LEU CA C 53.904 0.063 1 1218 144 117 LEU CB C 47.149 0.048 1 1219 144 117 LEU CG C 27.585 0.057 1 1220 144 117 LEU CD1 C 26.203 0.050 2 1221 144 117 LEU CD2 C 25.077 0.045 2 1222 144 117 LEU N N 130.193 0.034 1 1223 145 118 SER H H 9.508 0.002 1 1224 145 118 SER HA H 5.552 0.016 1 1225 145 118 SER HB2 H 3.794 0.011 2 1226 145 118 SER C C 172.728 0.003 1 1227 145 118 SER CA C 56.477 0.062 1 1228 145 118 SER CB C 64.598 0.059 1 1229 145 118 SER N N 122.590 0.034 1 1230 146 119 LEU H H 8.830 0.003 1 1231 146 119 LEU HA H 5.286 0.016 1 1232 146 119 LEU HB2 H 1.675 0.017 2 1233 146 119 LEU HG H 1.573 0.026 1 1234 146 119 LEU HD1 H 0.969 0.016 2 1235 146 119 LEU HD2 H 0.920 0.016 2 1236 146 119 LEU C C 175.781 0.003 1 1237 146 119 LEU CA C 54.059 0.047 1 1238 146 119 LEU CB C 44.987 0.110 1 1239 146 119 LEU CG C 27.695 0.080 1 1240 146 119 LEU CD1 C 25.297 0.067 2 1241 146 119 LEU CD2 C 25.348 0.084 2 1242 146 119 LEU N N 127.220 0.040 1 1243 147 120 ARG H H 9.008 0.003 1 1244 147 120 ARG HA H 5.170 0.018 1 1245 147 120 ARG HB2 H 1.856 0.022 2 1246 147 120 ARG HB3 H 1.699 0.016 2 1247 147 120 ARG HG2 H 1.511 0.016 2 1248 147 120 ARG HD2 H 3.077 0.030 2 1249 147 120 ARG C C 174.410 0.003 1 1250 147 120 ARG CA C 54.795 0.032 1 1251 147 120 ARG CB C 34.267 0.067 1 1252 147 120 ARG CG C 27.724 0.073 1 1253 147 120 ARG CD C 44.165 0.062 1 1254 147 120 ARG N N 125.723 0.037 1 1255 148 121 GLN H H 8.786 0.002 1 1256 148 121 GLN HA H 5.028 0.018 1 1257 148 121 GLN HB2 H 2.067 0.019 2 1258 148 121 GLN HG2 H 2.327 0.019 2 1259 148 121 GLN HE21 H 7.430 0.001 2 1260 148 121 GLN HE22 H 6.678 0.002 2 1261 148 121 GLN C C 174.636 0.003 1 1262 148 121 GLN CA C 55.523 0.051 1 1263 148 121 GLN CB C 30.670 0.047 1 1264 148 121 GLN CG C 34.365 0.030 1 1265 148 121 GLN N N 125.684 0.028 1 1266 148 121 GLN NE2 N 111.332 0.031 1 1267 149 122 ALA H H 8.318 0.002 1 1268 149 122 ALA HA H 4.746 0.008 1 1269 149 122 ALA HB H 1.413 0.011 1 1270 149 122 ALA C C 177.224 0.003 1 1271 149 122 ALA CA C 51.382 0.054 1 1272 149 122 ALA CB C 21.031 0.050 1 1273 149 122 ALA N N 127.778 0.028 1 1274 150 123 SER H H 8.877 0.003 1 1275 150 123 SER HA H 4.088 0.021 1 1276 150 123 SER HB2 H 4.069 0.001 2 1277 150 123 SER HB3 H 3.976 0.016 2 1278 150 123 SER C C 174.905 0.003 1 1279 150 123 SER CA C 60.282 0.049 1 1280 150 123 SER CB C 62.418 0.064 1 1281 150 123 SER N N 117.494 0.011 1 1282 151 124 ASN H H 8.527 0.003 1 1283 151 124 ASN HA H 4.592 0.015 1 1284 151 124 ASN HB2 H 2.968 0.014 2 1285 151 124 ASN HD21 H 7.499 0.002 2 1286 151 124 ASN HD22 H 6.812 0.002 2 1287 151 124 ASN C C 174.234 0.003 1 1288 151 124 ASN CA C 54.230 0.060 1 1289 151 124 ASN CB C 38.599 0.057 1 1290 151 124 ASN N N 115.604 0.008 1 1291 151 124 ASN ND2 N 112.653 0.051 1 1292 152 125 GLN H H 7.635 0.003 1 1293 152 125 GLN HA H 4.568 0.008 1 1294 152 125 GLN HB2 H 2.120 0.003 2 1295 152 125 GLN HB3 H 2.057 0.013 2 1296 152 125 GLN HG2 H 2.262 0.014 2 1297 152 125 GLN HE21 H 7.299 0.003 2 1298 152 125 GLN HE22 H 6.722 0.002 2 1299 152 125 GLN C C 173.719 0.003 1 1300 152 125 GLN CA C 55.390 0.061 1 1301 152 125 GLN CB C 31.558 0.051 1 1302 152 125 GLN CG C 33.654 0.036 1 1303 152 125 GLN N N 117.367 0.018 1 1304 152 125 GLN NE2 N 111.003 0.033 1 1305 153 126 ASN H H 8.515 0.003 1 1306 153 126 ASN HA H 5.309 0.017 1 1307 153 126 ASN HB2 H 2.707 0.009 2 1308 153 126 ASN HD21 H 7.389 0.001 2 1309 153 126 ASN HD22 H 6.673 0.001 2 1310 153 126 ASN C C 174.883 0.003 1 1311 153 126 ASN CA C 53.156 0.039 1 1312 153 126 ASN CB C 39.903 0.027 1 1313 153 126 ASN N N 121.419 0.023 1 1314 153 126 ASN ND2 N 112.027 0.024 1 1315 154 127 ILE H H 9.102 0.002 1 1316 154 127 ILE HA H 4.715 0.008 1 1317 154 127 ILE HB H 1.739 0.015 1 1318 154 127 ILE HG12 H 1.443 0.018 2 1319 154 127 ILE HG13 H 1.086 0.016 2 1320 154 127 ILE HG2 H 0.943 0.015 1 1321 154 127 ILE HD1 H 0.796 0.014 1 1322 154 127 ILE C C 175.807 0.003 1 1323 154 127 ILE CA C 61.208 0.088 1 1324 154 127 ILE CB C 40.662 0.054 1 1325 154 127 ILE CG1 C 27.996 0.072 1 1326 154 127 ILE CG2 C 18.205 0.037 1 1327 154 127 ILE CD1 C 14.057 0.041 1 1328 154 127 ILE N N 126.310 0.033 1 1329 155 128 THR H H 8.792 0.002 1 1330 155 128 THR HA H 5.038 0.009 1 1331 155 128 THR HB H 3.925 0.015 1 1332 155 128 THR HG2 H 1.205 0.012 1 1333 155 128 THR C C 172.300 0.003 1 1334 155 128 THR CA C 61.784 0.070 1 1335 155 128 THR CB C 71.090 0.044 1 1336 155 128 THR CG2 C 22.011 0.039 1 1337 155 128 THR N N 126.627 0.031 1 1338 156 129 ARG H H 8.935 0.002 1 1339 156 129 ARG HA H 5.683 0.013 1 1340 156 129 ARG HB2 H 1.826 0.013 2 1341 156 129 ARG HG2 H 1.627 0.010 2 1342 156 129 ARG HD2 H 3.167 0.009 2 1343 156 129 ARG C C 175.421 0.003 1 1344 156 129 ARG CA C 54.098 0.075 1 1345 156 129 ARG CB C 34.614 0.084 1 1346 156 129 ARG CG C 27.769 0.067 1 1347 156 129 ARG CD C 44.276 0.089 1 1348 156 129 ARG N N 124.684 0.048 1 1349 157 130 VAL H H 9.307 0.002 1 1350 157 130 VAL HA H 5.126 0.012 1 1351 157 130 VAL HB H 1.858 0.015 1 1352 157 130 VAL HG1 H 0.729 0.017 2 1353 157 130 VAL C C 174.941 0.003 1 1354 157 130 VAL CA C 60.392 0.063 1 1355 157 130 VAL CB C 34.422 0.042 1 1356 157 130 VAL CG1 C 21.919 0.068 2 1357 157 130 VAL N N 126.119 0.028 1 1358 158 131 SER H H 9.402 0.003 1 1359 158 131 SER HA H 5.455 0.016 1 1360 158 131 SER HB2 H 3.686 0.003 2 1361 158 131 SER HB3 H 3.628 0.020 2 1362 158 131 SER C C 171.528 0.003 1 1363 158 131 SER CA C 57.345 0.056 1 1364 158 131 SER CB C 66.017 0.037 1 1365 158 131 SER N N 120.279 0.027 1 1366 159 132 LEU H H 8.437 0.003 1 1367 159 132 LEU HA H 4.984 0.008 1 1368 159 132 LEU HB2 H 0.982 0.009 2 1369 159 132 LEU HB3 H 0.550 0.010 2 1370 159 132 LEU HG H 1.386 0.013 1 1371 159 132 LEU HD1 H 0.667 0.009 2 1372 159 132 LEU HD2 H 0.983 0.005 2 1373 159 132 LEU C C 173.639 0.003 1 1374 159 132 LEU CA C 53.629 0.065 1 1375 159 132 LEU CB C 42.312 0.054 1 1376 159 132 LEU CG C 28.199 0.044 1 1377 159 132 LEU CD1 C 25.964 0.034 2 1378 159 132 LEU CD2 C 23.694 0.043 2 1379 159 132 LEU N N 125.851 0.023 1 1380 160 133 LEU H H 9.335 0.004 1 1381 160 133 LEU HA H 5.617 0.016 1 1382 160 133 LEU HB2 H 1.465 0.003 2 1383 160 133 LEU HB3 H 1.188 0.024 2 1384 160 133 LEU HG H 1.350 0.019 1 1385 160 133 LEU HD1 H 0.477 0.016 2 1386 160 133 LEU HD2 H 0.223 0.014 2 1387 160 133 LEU C C 176.569 0.003 1 1388 160 133 LEU CA C 52.959 0.076 1 1389 160 133 LEU CB C 44.154 0.059 1 1390 160 133 LEU CG C 28.146 0.053 1 1391 160 133 LEU CD1 C 24.559 0.048 2 1392 160 133 LEU CD2 C 24.487 0.045 2 1393 160 133 LEU N N 128.084 0.028 1 1394 161 134 GLY H H 9.796 0.003 1 1395 161 134 GLY HA2 H 5.982 0.075 2 1396 161 134 GLY HA3 H 4.110 0.009 2 1397 161 134 GLY C C 174.667 0.003 1 1398 161 134 GLY CA C 44.330 0.043 1 1399 161 134 GLY N N 106.576 0.027 1 1400 162 135 ARG H H 8.298 0.003 1 1401 162 135 ARG HA H 4.055 0.020 1 1402 162 135 ARG HB2 H 1.832 0.005 2 1403 162 135 ARG HG2 H 1.112 0.015 2 1404 162 135 ARG HG3 H 0.836 0.006 2 1405 162 135 ARG C C 175.587 0.003 1 1406 162 135 ARG CA C 55.945 0.059 1 1407 162 135 ARG CB C 31.390 0.052 1 1408 162 135 ARG CG C 25.663 0.067 1 1409 162 135 ARG N N 120.799 0.027 1 1410 163 136 ASP H H 8.177 0.002 1 1411 163 136 ASP HA H 4.578 0.002 1 1412 163 136 ASP HB2 H 2.700 0.018 2 1413 163 136 ASP HB3 H 2.627 0.012 2 1414 163 136 ASP C C 173.474 0.003 1 1415 163 136 ASP CA C 52.309 0.048 1 1416 163 136 ASP CB C 43.258 0.029 1 1417 163 136 ASP N N 117.134 0.037 1 1418 164 137 TRP H H 7.179 0.003 1 1419 164 137 TRP HA H 4.380 0.014 1 1420 164 137 TRP HB2 H 3.094 0.014 2 1421 164 137 TRP HB3 H 2.472 0.017 2 1422 164 137 TRP HD1 H 6.847 0.002 1 1423 164 137 TRP HE1 H 9.480 0.002 1 1424 164 137 TRP HE3 H 6.872 0.006 1 1425 164 137 TRP HZ2 H 7.327 0.023 1 1426 164 137 TRP HZ3 H 7.081 0.004 1 1427 164 137 TRP HH2 H 7.174 0.012 1 1428 164 137 TRP C C 175.410 0.003 1 1429 164 137 TRP CA C 57.038 0.039 1 1430 164 137 TRP CB C 28.409 0.094 1 1431 164 137 TRP CD1 C 127.026 0.061 1 1432 164 137 TRP CE3 C 121.892 0.093 1 1433 164 137 TRP CZ2 C 114.582 0.082 1 1434 164 137 TRP CZ3 C 122.248 0.036 1 1435 164 137 TRP CH2 C 124.643 0.092 1 1436 164 137 TRP N N 114.554 0.034 1 1437 164 137 TRP NE1 N 128.613 0.018 1 1438 165 138 LYS H H 7.365 0.004 1 1439 165 138 LYS HA H 4.382 0.018 1 1440 165 138 LYS HB2 H 1.524 0.008 2 1441 165 138 LYS HB3 H 1.445 0.021 2 1442 165 138 LYS HG2 H 0.933 0.028 2 1443 165 138 LYS HG3 H 0.838 0.020 2 1444 165 138 LYS HD2 H 1.483 0.027 2 1445 165 138 LYS HD3 H 1.450 0.015 2 1446 165 138 LYS HE2 H 2.797 0.017 2 1447 165 138 LYS C C 175.387 0.003 1 1448 165 138 LYS CA C 55.620 0.056 1 1449 165 138 LYS CB C 32.322 0.054 1 1450 165 138 LYS CG C 24.345 0.066 1 1451 165 138 LYS CD C 29.278 0.067 1 1452 165 138 LYS CE C 42.171 0.029 1 1453 165 138 LYS N N 120.817 0.032 1 1454 166 139 ILE H H 7.876 0.003 1 1455 166 139 ILE HA H 4.549 0.017 1 1456 166 139 ILE HB H 1.795 0.014 1 1457 166 139 ILE HG12 H 1.612 0.013 2 1458 166 139 ILE HG13 H 1.285 0.016 2 1459 166 139 ILE HG2 H 0.970 0.013 1 1460 166 139 ILE HD1 H 1.009 0.013 1 1461 166 139 ILE C C 175.178 0.003 1 1462 166 139 ILE CA C 59.847 0.053 1 1463 166 139 ILE CB C 41.236 0.064 1 1464 166 139 ILE CG1 C 28.162 0.036 1 1465 166 139 ILE CG2 C 18.113 0.061 1 1466 166 139 ILE CD1 C 14.963 0.075 1 1467 166 139 ILE N N 121.094 0.039 1 1468 167 140 THR H H 7.848 0.003 1 1469 167 140 THR HA H 4.575 0.015 1 1470 167 140 THR HB H 4.598 0.005 1 1471 167 140 THR HG2 H 1.365 0.015 1 1472 167 140 THR C C 175.718 0.003 1 1473 167 140 THR CA C 60.999 0.098 1 1474 167 140 THR CB C 71.065 0.033 1 1475 167 140 THR CG2 C 22.077 0.045 1 1476 167 140 THR N N 114.634 0.019 1 1477 168 141 HIS H H 9.066 0.003 1 1478 168 141 HIS HA H 4.216 0.024 1 1479 168 141 HIS HB2 H 3.369 0.012 2 1480 168 141 HIS HB3 H 3.355 0.004 2 1481 168 141 HIS HD2 H 8.352 0.005 1 1482 168 141 HIS C C 176.776 0.003 1 1483 168 141 HIS CA C 59.624 0.065 1 1484 168 141 HIS CB C 28.087 0.037 1 1485 168 141 HIS CD2 C 121.733 0.067 1 1486 168 141 HIS N N 121.208 0.021 1 1487 169 142 LYS H H 8.281 0.004 1 1488 169 142 LYS HA H 4.173 0.014 1 1489 169 142 LYS HB2 H 1.856 0.028 2 1490 169 142 LYS HG2 H 1.585 0.004 2 1491 169 142 LYS HG3 H 1.448 0.006 2 1492 169 142 LYS HD2 H 1.821 0.001 2 1493 169 142 LYS HD3 H 1.697 0.024 2 1494 169 142 LYS HE2 H 3.111 0.011 2 1495 169 142 LYS HE3 H 3.029 0.015 2 1496 169 142 LYS C C 178.738 0.003 1 1497 169 142 LYS CA C 59.657 0.032 1 1498 169 142 LYS CB C 32.365 0.084 1 1499 169 142 LYS CG C 25.106 0.073 1 1500 169 142 LYS CD C 29.583 0.123 1 1501 169 142 LYS CE C 42.377 0.069 1 1502 169 142 LYS N N 118.446 0.022 1 1503 170 143 THR H H 7.400 0.004 1 1504 170 143 THR HA H 3.732 0.016 1 1505 170 143 THR HB H 4.078 0.015 1 1506 170 143 THR HG2 H 0.853 0.017 1 1507 170 143 THR C C 176.416 0.003 1 1508 170 143 THR CA C 66.282 0.060 1 1509 170 143 THR CB C 68.044 0.052 1 1510 170 143 THR CG2 C 23.358 0.048 1 1511 170 143 THR N N 115.743 0.033 1 1512 171 144 ILE H H 7.458 0.004 1 1513 171 144 ILE HA H 3.805 0.023 1 1514 171 144 ILE HB H 1.975 0.014 1 1515 171 144 ILE HG12 H 1.610 0.013 2 1516 171 144 ILE HG13 H 1.080 0.007 2 1517 171 144 ILE HG2 H 1.016 0.013 1 1518 171 144 ILE HD1 H 0.742 0.011 1 1519 171 144 ILE C C 177.848 0.003 1 1520 171 144 ILE CA C 65.507 0.079 1 1521 171 144 ILE CB C 37.148 0.068 1 1522 171 144 ILE CG1 C 29.271 0.040 1 1523 171 144 ILE CG2 C 17.718 0.040 1 1524 171 144 ILE CD1 C 12.310 0.043 1 1525 171 144 ILE N N 122.812 0.015 1 1526 172 145 ASP H H 8.283 0.003 1 1527 172 145 ASP HA H 4.495 0.009 1 1528 172 145 ASP HB2 H 2.788 0.033 2 1529 172 145 ASP C C 179.363 0.003 1 1530 172 145 ASP CA C 58.008 0.038 1 1531 172 145 ASP CB C 40.110 0.084 1 1532 172 145 ASP N N 119.833 0.049 1 1533 173 146 ARG H H 7.709 0.004 1 1534 173 146 ARG HA H 4.260 0.007 1 1535 173 146 ARG HB2 H 2.154 0.026 2 1536 173 146 ARG HB3 H 1.988 0.024 2 1537 173 146 ARG HG2 H 1.875 0.008 2 1538 173 146 ARG C C 178.214 0.003 1 1539 173 146 ARG CA C 59.034 0.054 1 1540 173 146 ARG CB C 30.216 0.069 1 1541 173 146 ARG CG C 26.945 0.051 1 1542 173 146 ARG N N 122.098 0.064 1 1543 174 147 PHE H H 8.080 0.003 1 1544 174 147 PHE HA H 4.423 0.014 1 1545 174 147 PHE HB2 H 3.760 0.010 2 1546 174 147 PHE HB3 H 3.322 0.011 2 1547 174 147 PHE HD1 H 7.159 0.006 3 1548 174 147 PHE HE1 H 6.938 0.012 3 1549 174 147 PHE HZ H 6.730 0.009 1 1550 174 147 PHE CA C 60.590 0.050 1 1551 174 147 PHE CB C 39.330 0.053 1 1552 174 147 PHE CD1 C 132.058 0.068 3 1553 174 147 PHE CE1 C 131.310 0.072 3 1554 174 147 PHE CZ C 129.352 0.034 1 1555 174 147 PHE N N 119.936 0.070 1 1556 175 148 ILE H H 8.962 0.006 1 1557 175 148 ILE HA H 3.400 0.014 1 1558 175 148 ILE HB H 2.154 0.015 1 1559 175 148 ILE HG12 H 1.992 0.012 2 1560 175 148 ILE HG13 H 1.433 0.017 2 1561 175 148 ILE HG2 H 0.906 0.013 1 1562 175 148 ILE HD1 H 0.992 0.012 1 1563 175 148 ILE C C 179.859 0.003 1 1564 175 148 ILE CA C 64.355 0.100 1 1565 175 148 ILE CB C 36.912 0.048 1 1566 175 148 ILE CG1 C 29.171 0.053 1 1567 175 148 ILE CG2 C 17.257 0.050 1 1568 175 148 ILE CD1 C 12.284 0.052 1 1569 175 148 ILE N N 120.951 0.037 1 1570 176 149 ALA H H 8.453 0.003 1 1571 176 149 ALA HA H 4.164 0.014 1 1572 176 149 ALA HB H 1.732 0.014 1 1573 176 149 ALA C C 180.702 0.003 1 1574 176 149 ALA CA C 56.105 0.053 1 1575 176 149 ALA CB C 17.801 0.046 1 1576 176 149 ALA N N 124.007 0.031 1 1577 177 150 LEU H H 8.175 0.003 1 1578 177 150 LEU HA H 4.123 0.015 1 1579 177 150 LEU HB2 H 2.079 0.004 2 1580 177 150 LEU HB3 H 1.527 0.023 2 1581 177 150 LEU HG H 1.300 0.005 1 1582 177 150 LEU HD1 H 0.752 0.012 2 1583 177 150 LEU HD2 H 0.415 0.013 2 1584 177 150 LEU C C 180.731 0.003 1 1585 177 150 LEU CA C 58.034 0.061 1 1586 177 150 LEU CB C 40.600 0.049 1 1587 177 150 LEU CG C 27.308 0.037 1 1588 177 150 LEU CD1 C 28.761 0.060 2 1589 177 150 LEU CD2 C 22.280 0.071 2 1590 177 150 LEU N N 119.640 0.039 1 1591 178 151 THR H H 8.452 0.004 1 1592 178 151 THR HA H 3.618 0.014 1 1593 178 151 THR HB H 3.874 0.013 1 1594 178 151 THR HG2 H 0.507 0.018 1 1595 178 151 THR C C 176.527 0.003 1 1596 178 151 THR CA C 66.918 0.080 1 1597 178 151 THR CB C 68.023 0.082 1 1598 178 151 THR CG2 C 22.597 0.065 1 1599 178 151 THR N N 113.286 0.065 1 1600 179 152 LYS H H 7.720 0.002 1 1601 179 152 LYS HA H 4.260 0.012 1 1602 179 152 LYS HB2 H 2.034 0.028 2 1603 179 152 LYS HG2 H 1.684 0.016 2 1604 179 152 LYS HG3 H 1.544 0.001 2 1605 179 152 LYS HD2 H 1.740 0.016 2 1606 179 152 LYS HE2 H 3.010 0.006 2 1607 179 152 LYS C C 180.795 0.003 1 1608 179 152 LYS CA C 60.008 0.068 1 1609 179 152 LYS CB C 32.397 0.075 1 1610 179 152 LYS CG C 25.863 0.031 1 1611 179 152 LYS CD C 29.615 0.056 1 1612 179 152 LYS CE C 42.384 0.061 1 1613 179 152 LYS N N 122.419 0.043 1 1614 180 153 THR H H 7.665 0.004 1 1615 180 153 THR HA H 4.403 0.013 1 1616 180 153 THR HB H 4.476 0.017 1 1617 180 153 THR HG2 H 1.656 0.016 1 1618 180 153 THR C C 175.118 0.003 1 1619 180 153 THR CA C 65.187 0.075 1 1620 180 153 THR CB C 69.963 0.045 1 1621 180 153 THR CG2 C 22.373 0.031 1 1622 180 153 THR N N 111.343 0.046 1 1623 181 154 GLN H H 7.021 0.005 1 1624 181 154 GLN HA H 4.403 0.015 1 1625 181 154 GLN HB2 H 2.547 0.013 2 1626 181 154 GLN HB3 H 1.643 0.014 2 1627 181 154 GLN HG2 H 2.312 0.014 2 1628 181 154 GLN HG3 H 1.794 0.013 2 1629 181 154 GLN HE21 H 7.006 0.003 2 1630 181 154 GLN HE22 H 6.748 0.002 2 1631 181 154 GLN C C 174.430 0.003 1 1632 181 154 GLN CA C 53.360 0.064 1 1633 181 154 GLN CB C 28.703 0.046 1 1634 181 154 GLN CG C 33.372 0.056 1 1635 181 154 GLN N N 116.998 0.050 1 1636 181 154 GLN NE2 N 112.584 0.062 1 1637 182 155 ASN H H 7.937 0.004 1 1638 182 155 ASN HA H 4.422 0.019 1 1639 182 155 ASN HB2 H 3.162 0.032 2 1640 182 155 ASN HB3 H 2.952 0.014 2 1641 182 155 ASN HD21 H 7.476 0.001 2 1642 182 155 ASN HD22 H 6.783 0.001 2 1643 182 155 ASN C C 173.907 0.003 1 1644 182 155 ASN CA C 54.869 0.050 1 1645 182 155 ASN CB C 37.123 0.041 1 1646 182 155 ASN N N 113.261 0.047 1 1647 182 155 ASN ND2 N 112.772 0.048 1 1648 183 156 LEU H H 7.296 0.005 1 1649 183 156 LEU HA H 4.719 0.009 1 1650 183 156 LEU HB2 H 1.595 0.009 2 1651 183 156 LEU HB3 H 1.245 0.016 2 1652 183 156 LEU HG H 1.616 0.006 1 1653 183 156 LEU HD1 H 0.674 0.004 2 1654 183 156 LEU HD2 H 0.782 0.019 2 1655 183 156 LEU CA C 54.082 0.065 1 1656 183 156 LEU CB C 42.669 0.080 1 1657 183 156 LEU CG C 26.793 0.114 1 1658 183 156 LEU CD1 C 26.825 0.046 2 1659 183 156 LEU CD2 C 23.806 0.060 2 1660 183 156 LEU N N 116.933 0.028 1 1661 184 157 THR H H 8.787 0.003 1 1662 184 157 THR HA H 4.682 0.010 1 1663 184 157 THR HB H 4.622 0.013 1 1664 184 157 THR HG2 H 1.254 0.017 1 1665 184 157 THR C C 176.026 0.003 1 1666 184 157 THR CA C 60.464 0.047 1 1667 184 157 THR CB C 72.429 0.061 1 1668 184 157 THR CG2 C 21.546 0.024 1 1669 184 157 THR N N 113.369 0.050 1 1670 185 158 LYS H H 8.628 0.003 1 1671 185 158 LYS HA H 4.159 0.033 1 1672 185 158 LYS HB2 H 2.000 0.024 2 1673 185 158 LYS HG2 H 1.530 0.017 2 1674 185 158 LYS HG3 H 1.429 0.004 2 1675 185 158 LYS HD2 H 1.743 0.005 2 1676 185 158 LYS C C 178.063 0.003 1 1677 185 158 LYS CA C 59.573 0.084 1 1678 185 158 LYS CB C 32.353 0.069 1 1679 185 158 LYS CG C 25.116 0.070 1 1680 185 158 LYS CD C 29.398 0.026 1 1681 185 158 LYS CE C 42.367 0.031 1 1682 185 158 LYS N N 119.248 0.021 1 1683 186 159 ASN H H 7.939 0.003 1 1684 186 159 ASN HA H 4.660 0.010 1 1685 186 159 ASN HB2 H 2.881 0.022 2 1686 186 159 ASN HB3 H 2.709 0.017 2 1687 186 159 ASN HD21 H 7.624 0.002 2 1688 186 159 ASN HD22 H 7.101 0.001 2 1689 186 159 ASN C C 174.902 0.003 1 1690 186 159 ASN CA C 55.063 0.057 1 1691 186 159 ASN CB C 39.009 0.075 1 1692 186 159 ASN N N 115.725 0.032 1 1693 186 159 ASN ND2 N 113.297 0.066 1 1694 187 160 ASN H H 8.050 0.002 1 1695 187 160 ASN HA H 5.080 0.014 1 1696 187 160 ASN HB2 H 2.740 0.012 2 1697 187 160 ASN CA C 54.089 0.056 1 1698 187 160 ASN CB C 41.902 0.039 1 1699 187 160 ASN N N 114.470 0.050 1 1700 189 162 LEU HA H 4.586 0.011 1 1701 189 162 LEU HB2 H 1.635 0.008 2 1702 189 162 LEU HB3 H 1.363 0.017 2 1703 189 162 LEU HG H 1.446 0.008 1 1704 189 162 LEU HD1 H 0.828 0.004 2 1705 189 162 LEU C C 173.950 0.003 1 1706 189 162 LEU CA C 55.032 0.029 1 1707 189 162 LEU CB C 46.043 0.028 1 1708 189 162 LEU CG C 27.826 0.017 1 1709 189 162 LEU CD1 C 25.120 0.043 2 1710 190 163 PHE H H 8.716 0.003 1 1711 190 163 PHE HA H 5.286 0.012 1 1712 190 163 PHE HB2 H 3.351 0.015 2 1713 190 163 PHE HB3 H 2.981 0.010 2 1714 190 163 PHE HD1 H 7.700 0.009 3 1715 190 163 PHE HE1 H 7.348 0.006 3 1716 190 163 PHE HZ H 7.331 0.004 1 1717 190 163 PHE CA C 55.108 0.044 1 1718 190 163 PHE CB C 40.143 0.065 1 1719 190 163 PHE CD1 C 133.335 0.075 3 1720 190 163 PHE CE1 C 130.957 0.066 3 1721 190 163 PHE CZ C 128.752 0.072 1 1722 190 163 PHE N N 123.079 0.042 1 1723 191 164 PRO HA H 4.470 0.019 1 1724 191 164 PRO HB2 H 2.172 0.025 2 1725 191 164 PRO HG2 H 2.283 0.008 2 1726 191 164 PRO HG3 H 2.023 0.003 2 1727 191 164 PRO HD2 H 3.915 0.016 2 1728 191 164 PRO HD3 H 3.633 0.007 2 1729 191 164 PRO C C 175.657 0.003 1 1730 191 164 PRO CA C 63.056 0.099 1 1731 191 164 PRO CB C 32.744 0.043 1 1732 191 164 PRO CG C 27.567 0.033 1 1733 191 164 PRO CD C 51.156 0.068 1 1734 192 165 ASP H H 8.460 0.005 1 1735 192 165 ASP HA H 4.824 0.003 1 1736 192 165 ASP HB2 H 2.889 0.017 2 1737 192 165 ASP CA C 54.170 0.054 1 1738 192 165 ASP CB C 41.557 0.039 1 1739 192 165 ASP N N 120.976 0.053 1 1740 193 166 LEU HA H 4.343 0.003 1 1741 193 166 LEU HB2 H 1.673 0.003 2 1742 193 166 LEU HG H 1.679 0.003 1 1743 193 166 LEU HD1 H 0.863 0.030 2 1744 193 166 LEU HD2 H 0.769 0.015 2 1745 193 166 LEU C C 177.491 0.003 1 1746 193 166 LEU CA C 56.183 0.090 1 1747 193 166 LEU CB C 41.834 0.003 1 1748 193 166 LEU CG C 27.578 0.003 1 1749 193 166 LEU CD1 C 25.460 0.076 2 1750 193 166 LEU CD2 C 23.984 0.036 2 1751 194 167 THR H H 8.079 0.004 1 1752 194 167 THR HA H 3.962 0.014 1 1753 194 167 THR HB H 4.145 0.015 1 1754 194 167 THR HG2 H 1.207 0.004 1 1755 194 167 THR C C 175.252 0.003 1 1756 194 167 THR CA C 64.905 0.054 1 1757 194 167 THR CB C 69.502 0.046 1 1758 194 167 THR CG2 C 21.914 0.036 1 1759 194 167 THR N N 112.803 0.041 1 1760 195 168 ASP H H 8.014 0.003 1 1761 195 168 ASP HA H 4.454 0.029 1 1762 195 168 ASP HB2 H 2.644 0.007 2 1763 195 168 ASP HB3 H 2.611 0.003 2 1764 195 168 ASP C C 176.546 0.003 1 1765 195 168 ASP CA C 55.343 0.050 1 1766 195 168 ASP CB C 40.238 0.066 1 1767 195 168 ASP N N 119.664 0.069 1 1768 196 169 TRP H H 7.587 0.002 1 1769 196 169 TRP HA H 4.366 0.017 1 1770 196 169 TRP HB2 H 3.067 0.017 2 1771 196 169 TRP HB3 H 3.058 0.017 2 1772 196 169 TRP HD1 H 7.004 0.005 1 1773 196 169 TRP HE1 H 9.802 0.003 1 1774 196 169 TRP HZ2 H 7.396 0.002 1 1775 196 169 TRP C C 176.263 0.003 1 1776 196 169 TRP CA C 58.821 0.064 1 1777 196 169 TRP CB C 29.329 0.082 1 1778 196 169 TRP CD1 C 126.864 0.082 1 1779 196 169 TRP CZ2 C 114.620 0.065 1 1780 196 169 TRP N N 121.299 0.051 1 1781 196 169 TRP NE1 N 128.322 0.045 1 1782 197 170 LEU H H 7.765 0.004 1 1783 197 170 LEU HA H 3.969 0.016 1 1784 197 170 LEU HB2 H 1.588 0.026 2 1785 197 170 LEU HB3 H 1.446 0.006 2 1786 197 170 LEU HG H 1.522 0.029 1 1787 197 170 LEU HD1 H 0.781 0.016 2 1788 197 170 LEU HD2 H 0.669 0.019 2 1789 197 170 LEU C C 177.660 0.003 1 1790 197 170 LEU CA C 56.366 0.095 1 1791 197 170 LEU CB C 42.335 0.080 1 1792 197 170 LEU CG C 27.159 0.052 1 1793 197 170 LEU CD1 C 25.251 0.037 2 1794 197 170 LEU CD2 C 23.371 0.069 2 1795 197 170 LEU N N 118.886 0.039 1 1796 198 171 LEU H H 7.405 0.005 1 1797 198 171 LEU HA H 4.283 0.022 1 1798 198 171 LEU HB2 H 1.668 0.002 2 1799 198 171 LEU HB3 H 1.570 0.018 2 1800 198 171 LEU HG H 1.581 0.009 1 1801 198 171 LEU HD1 H 0.895 0.017 2 1802 198 171 LEU HD2 H 0.810 0.015 2 1803 198 171 LEU CA C 55.506 0.065 1 1804 198 171 LEU CB C 42.935 0.074 1 1805 198 171 LEU CG C 27.131 0.020 1 1806 198 171 LEU CD1 C 25.139 0.028 2 1807 198 171 LEU CD2 C 23.937 0.044 2 1808 198 171 LEU N N 118.983 0.024 1 1809 200 173 PRO HA H 4.714 0.003 1 1810 200 173 PRO HB2 H 2.407 0.008 2 1811 200 173 PRO HB3 H 2.105 0.003 2 1812 200 173 PRO CA C 62.923 0.015 1 1813 200 173 PRO CB C 34.703 0.043 1 1814 201 174 LYS H H 8.638 0.004 1 1815 201 174 LYS HA H 4.195 0.002 1 1816 201 174 LYS HB2 H 2.064 0.003 2 1817 201 174 LYS C C 177.406 0.003 1 1818 201 174 LYS CA C 57.510 0.015 1 1819 201 174 LYS CB C 29.694 0.003 1 1820 201 174 LYS N N 121.539 0.020 1 1821 202 175 VAL H H 7.740 0.003 1 1822 202 175 VAL HA H 4.031 0.013 1 1823 202 175 VAL HB H 2.199 0.017 1 1824 202 175 VAL HG1 H 1.029 0.020 2 1825 202 175 VAL HG2 H 1.017 0.003 2 1826 202 175 VAL C C 176.513 0.003 1 1827 202 175 VAL CA C 63.802 0.036 1 1828 202 175 VAL CB C 32.746 0.044 1 1829 202 175 VAL CG1 C 21.453 0.049 2 1830 202 175 VAL N N 118.868 0.033 1 1831 203 176 CYS H H 8.068 0.005 1 1832 203 176 CYS HA H 4.726 0.006 1 1833 203 176 CYS HB2 H 3.088 0.015 2 1834 203 176 CYS CA C 55.839 0.106 1 1835 203 176 CYS CB C 40.251 0.048 1 1836 203 176 CYS N N 118.425 0.055 1 stop_ save_