data_15558 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of C2 domain of milk fat globule-EGF-factor 8-L ; _BMRB_accession_number 15558 _BMRB_flat_file_name bmr15558.str _Entry_type original _Submission_date 2007-11-19 _Accession_date 2007-11-19 _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 Vivekanandan Subramanian . . 2 Reddy 'Nanga Raviprakash' . . 3 Yoon 'Ho Sup' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 870 "13C chemical shifts" 595 "15N chemical shifts" 173 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-04 original author . stop_ _Original_release_date 2014-03-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Expression, purification and characterization of C2 domain of milk fat globule-EGF-factor 8-L.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17049264 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Reddy Nanga' 'Ravi Prakash' . . 2 Vivekanandan Subramanian . . 3 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'Protein Expr. Purif.' _Journal_name_full 'Protein expression and purification' _Journal_volume 52 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 329 _Page_last 333 _Year 2007 _Details . loop_ _Keyword 'c2 domain' 'resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'fat globule-EGF-factor 8-L' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2 domain' $C2_domain 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_C2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C2_domain _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'cell apoptosis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; MKSGHGCSEPLGLKNNTIPD SQMSASSSYKTWNLRAFGWY PHLGRLDNQGKINAWTAQSN SAKEWLQVDLGTQRQVTGII TQGARDFGHIQYVASYKVAH SDDGVQWTVYEEQGSSKVFQ GNLDNNSHKKNIFEKPFMAR YVRVLPVSWHNRITLRLELL GCLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 SER 4 GLY 5 HIS 6 GLY 7 CYS 8 SER 9 GLU 10 PRO 11 LEU 12 GLY 13 LEU 14 LYS 15 ASN 16 ASN 17 THR 18 ILE 19 PRO 20 ASP 21 SER 22 GLN 23 MET 24 SER 25 ALA 26 SER 27 SER 28 SER 29 TYR 30 LYS 31 THR 32 TRP 33 ASN 34 LEU 35 ARG 36 ALA 37 PHE 38 GLY 39 TRP 40 TYR 41 PRO 42 HIS 43 LEU 44 GLY 45 ARG 46 LEU 47 ASP 48 ASN 49 GLN 50 GLY 51 LYS 52 ILE 53 ASN 54 ALA 55 TRP 56 THR 57 ALA 58 GLN 59 SER 60 ASN 61 SER 62 ALA 63 LYS 64 GLU 65 TRP 66 LEU 67 GLN 68 VAL 69 ASP 70 LEU 71 GLY 72 THR 73 GLN 74 ARG 75 GLN 76 VAL 77 THR 78 GLY 79 ILE 80 ILE 81 THR 82 GLN 83 GLY 84 ALA 85 ARG 86 ASP 87 PHE 88 GLY 89 HIS 90 ILE 91 GLN 92 TYR 93 VAL 94 ALA 95 SER 96 TYR 97 LYS 98 VAL 99 ALA 100 HIS 101 SER 102 ASP 103 ASP 104 GLY 105 VAL 106 GLN 107 TRP 108 THR 109 VAL 110 TYR 111 GLU 112 GLU 113 GLN 114 GLY 115 SER 116 SER 117 LYS 118 VAL 119 PHE 120 GLN 121 GLY 122 ASN 123 LEU 124 ASP 125 ASN 126 ASN 127 SER 128 HIS 129 LYS 130 LYS 131 ASN 132 ILE 133 PHE 134 GLU 135 LYS 136 PRO 137 PHE 138 MET 139 ALA 140 ARG 141 TYR 142 VAL 143 ARG 144 VAL 145 LEU 146 PRO 147 VAL 148 SER 149 TRP 150 HIS 151 ASN 152 ARG 153 ILE 154 THR 155 LEU 156 ARG 157 LEU 158 GLU 159 LEU 160 LEU 161 GLY 162 CYS 163 LEU 164 GLU 165 HIS 166 HIS 167 HIS 168 HIS 169 HIS 170 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-10 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 17477 MFG-E8_C2_domain 100.00 170 100.00 100.00 9.06e-124 PDB 2L9L "Nmr Structure Of The Mouse Mfg-e8 C2 Domain" 100.00 170 100.00 100.00 9.06e-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 _Strain $C2_domain Mouse 10090 Eukaryota Metazoa Mus musculus 'BL 21 (DE3)' 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 $C2_domain 'recombinant technology' . Escherichia coli . pET29b 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 $C2_domain 0.8 mM '[U-99% 13C; U-99% 15N]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 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 Bruker _Model Avance _Field_strength 700 _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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 0.02 . M pH 6.5 . 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D HNCACB' '3D 1H-15N NOESY' '3D H(CCO)NH' '3D HCCH-TOCSY' 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 'C2 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LYS CA C 53.690 0.400 1 2 2 2 LYS CB C 30.430 0.400 1 3 3 3 SER HA H 4.340 0.020 1 4 3 3 SER HB2 H 3.730 0.020 2 5 3 3 SER HB3 H 3.730 0.020 2 6 3 3 SER C C 172.200 0.400 1 7 3 3 SER CA C 55.596 0.400 1 8 3 3 SER CB C 61.140 0.400 1 9 4 4 GLY H H 8.419 0.020 1 10 4 4 GLY HA2 H 3.802 0.020 2 11 4 4 GLY HA3 H 4.704 0.020 2 12 4 4 GLY CA C 42.540 0.400 1 13 4 4 GLY N N 110.700 0.400 1 14 6 6 GLY HA2 H 3.848 0.020 2 15 6 6 GLY C C 171.400 0.400 1 16 6 6 GLY CA C 42.760 0.400 1 17 7 7 CYS H H 8.324 0.020 1 18 7 7 CYS HA H 4.568 0.020 1 19 7 7 CYS HB2 H 2.867 0.020 2 20 7 7 CYS HB3 H 3.209 0.020 2 21 7 7 CYS C C 171.300 0.400 1 22 7 7 CYS CA C 53.315 0.400 1 23 7 7 CYS CB C 42.748 0.400 1 24 7 7 CYS N N 118.500 0.400 1 25 8 8 SER H H 8.731 0.020 1 26 8 8 SER HA H 4.120 0.020 1 27 8 8 SER HB2 H 3.548 0.020 2 28 8 8 SER C C 170.200 0.400 1 29 8 8 SER CA C 54.031 0.400 1 30 8 8 SER CB C 60.184 0.400 1 31 8 8 SER N N 118.800 0.400 1 32 9 9 GLU H H 8.373 0.020 1 33 9 9 GLU HA H 4.697 0.020 1 34 9 9 GLU HB2 H 1.879 0.020 2 35 9 9 GLU HB3 H 1.879 0.020 2 36 9 9 GLU HG2 H 2.237 0.020 2 37 9 9 GLU HG3 H 2.237 0.020 2 38 9 9 GLU C C 170.200 0.400 1 39 9 9 GLU CA C 50.860 0.400 1 40 9 9 GLU CB C 27.660 0.400 1 41 9 9 GLU CG C 32.260 0.400 1 42 9 9 GLU N N 122.581 0.400 1 43 10 10 PRO HA H 4.560 0.020 1 44 10 10 PRO HB2 H 1.767 0.020 2 45 10 10 PRO HB3 H 2.168 0.020 2 46 10 10 PRO C C 175.800 0.400 1 47 10 10 PRO CA C 59.978 0.400 1 48 11 11 LEU H H 8.798 0.020 1 49 11 11 LEU HA H 4.169 0.020 1 50 11 11 LEU HB2 H 1.365 0.020 2 51 11 11 LEU HB3 H 1.506 0.020 2 52 11 11 LEU HD1 H 0.501 0.020 2 53 11 11 LEU HD2 H 0.635 0.020 2 54 11 11 LEU C C 173.800 0.400 1 55 11 11 LEU CA C 52.713 0.400 1 56 11 11 LEU N N 121.877 0.400 1 57 12 12 GLY H H 7.046 0.020 1 58 12 12 GLY HA2 H 4.079 0.020 2 59 12 12 GLY HA3 H 4.544 0.020 2 60 12 12 GLY C C 172.600 0.400 1 61 12 12 GLY CA C 44.069 0.400 1 62 12 12 GLY N N 102.791 0.400 1 63 13 13 LEU H H 9.928 0.020 1 64 13 13 LEU HA H 4.283 0.020 1 65 13 13 LEU HB3 H 2.365 0.020 2 66 13 13 LEU HD1 H 0.897 0.020 2 67 13 13 LEU HD2 H 1.368 0.020 2 68 13 13 LEU C C 177.300 0.400 1 69 13 13 LEU CA C 54.715 0.400 1 70 13 13 LEU N N 124.240 0.400 1 71 14 14 LYS H H 9.345 0.020 1 72 14 14 LYS HA H 3.884 0.020 1 73 14 14 LYS HB2 H 1.789 0.020 2 74 14 14 LYS HB3 H 1.871 0.020 2 75 14 14 LYS HD2 H 1.607 0.020 2 76 14 14 LYS HD3 H 1.607 0.020 2 77 14 14 LYS HE2 H 2.938 0.020 2 78 14 14 LYS HE3 H 2.938 0.020 2 79 14 14 LYS HG2 H 1.466 0.020 2 80 14 14 LYS HG3 H 1.466 0.020 2 81 14 14 LYS C C 175.100 0.400 1 82 14 14 LYS CA C 57.131 0.400 1 83 14 14 LYS N N 122.121 0.400 1 84 15 15 ASN H H 8.446 0.020 1 85 15 15 ASN HB3 H 2.873 0.020 2 86 15 15 ASN HD21 H 6.685 0.020 2 87 15 15 ASN HD22 H 7.302 0.020 2 88 15 15 ASN C C 175.100 0.400 1 89 15 15 ASN N N 112.800 0.400 1 90 15 15 ASN ND2 N 112.269 0.400 1 91 16 16 ASN H H 8.443 0.020 1 92 16 16 ASN HA H 4.489 0.020 1 93 16 16 ASN HB2 H 2.579 0.020 2 94 16 16 ASN HB3 H 3.142 0.020 2 95 16 16 ASN HD21 H 7.355 0.020 2 96 16 16 ASN HD22 H 6.944 0.020 2 97 16 16 ASN C C 172.700 0.400 1 98 16 16 ASN CA C 49.103 0.400 1 99 16 16 ASN CB C 34.510 0.400 1 100 16 16 ASN N N 112.773 0.400 1 101 16 16 ASN ND2 N 109.692 0.400 1 102 17 17 THR H H 7.294 0.020 1 103 17 17 THR HA H 4.161 0.020 1 104 17 17 THR HB H 2.878 0.020 1 105 17 17 THR HG2 H 1.100 0.020 1 106 17 17 THR C C 174.900 0.400 1 107 17 17 THR CA C 62.490 0.400 1 108 17 17 THR CB C 66.332 0.400 1 109 17 17 THR CG2 C 19.710 0.400 1 110 17 17 THR N N 109.303 0.400 1 111 18 18 ILE H H 7.721 0.020 1 112 18 18 ILE HA H 4.175 0.020 1 113 18 18 ILE HB H 1.733 0.020 1 114 18 18 ILE HD1 H 0.649 0.020 1 115 18 18 ILE HG12 H 1.202 0.020 2 116 18 18 ILE HG13 H 1.186 0.020 2 117 18 18 ILE HG2 H 1.233 0.020 1 118 18 18 ILE C C 174.900 0.400 1 119 18 18 ILE CA C 54.910 0.400 1 120 18 18 ILE CB C 34.970 0.400 1 121 18 18 ILE CD1 C 13.080 0.400 1 122 18 18 ILE CG1 C 26.590 0.400 1 123 18 18 ILE CG2 C 15.880 0.400 1 124 18 18 ILE N N 124.254 0.400 1 125 19 19 PRO HA H 4.488 0.020 1 126 19 19 PRO HB2 H 2.236 0.020 2 127 19 19 PRO HB3 H 2.236 0.020 2 128 19 19 PRO HD2 H 3.724 0.020 2 129 19 19 PRO HD3 H 3.724 0.020 2 130 19 19 PRO HG2 H 1.957 0.020 2 131 19 19 PRO HG3 H 1.957 0.020 2 132 19 19 PRO C C 174.200 0.400 1 133 19 19 PRO CA C 59.682 0.400 1 134 19 19 PRO CB C 30.300 0.400 1 135 19 19 PRO CD C 48.750 0.400 1 136 19 19 PRO CG C 25.300 0.400 1 137 20 20 ASP H H 8.635 0.020 1 138 20 20 ASP HA H 4.001 0.020 1 139 20 20 ASP HB2 H 2.305 0.020 2 140 20 20 ASP HB3 H 2.150 0.020 2 141 20 20 ASP C C 175.100 0.400 1 142 20 20 ASP CA C 55.344 0.400 1 143 20 20 ASP CB C 37.760 0.400 1 144 20 20 ASP N N 120.990 0.400 1 145 21 21 SER H H 8.033 0.020 1 146 21 21 SER HA H 4.066 0.020 1 147 21 21 SER HB2 H 3.768 0.020 2 148 21 21 SER HB3 H 3.910 0.020 2 149 21 21 SER C C 173.100 0.400 1 150 21 21 SER CA C 57.230 0.400 1 151 21 21 SER CB C 59.603 0.400 1 152 21 21 SER N N 110.286 0.400 1 153 22 22 GLN H H 7.679 0.020 1 154 22 22 GLN HA H 4.356 0.020 1 155 22 22 GLN HB2 H 1.808 0.020 2 156 22 22 GLN HB3 H 1.808 0.020 2 157 22 22 GLN HG2 H 2.066 0.020 2 158 22 22 GLN HG3 H 2.066 0.020 2 159 22 22 GLN C C 172.100 0.400 1 160 22 22 GLN CA C 53.740 0.400 1 161 22 22 GLN CB C 26.110 0.400 1 162 22 22 GLN CG C 33.420 0.400 1 163 22 22 GLN N N 119.921 0.400 1 164 23 23 MET H H 7.884 0.020 1 165 23 23 MET HA H 5.302 0.020 1 166 23 23 MET HB2 H 1.720 0.020 2 167 23 23 MET HB3 H 1.818 0.020 2 168 23 23 MET HG2 H 2.058 0.020 2 169 23 23 MET HG3 H 2.424 0.020 2 170 23 23 MET C C 170.900 0.400 1 171 23 23 MET CA C 52.871 0.400 1 172 23 23 MET CB C 31.500 0.400 1 173 23 23 MET CG C 30.720 0.400 1 174 23 23 MET N N 121.582 0.400 1 175 24 24 SER H H 9.217 0.020 1 176 24 24 SER HA H 4.623 0.020 1 177 24 24 SER HB2 H 3.922 0.020 2 178 24 24 SER HB3 H 3.922 0.020 2 179 24 24 SER C C 168.500 0.400 1 180 24 24 SER CA C 54.611 0.400 1 181 24 24 SER CB C 63.620 0.400 1 182 24 24 SER N N 115.858 0.400 1 183 25 25 ALA H H 8.414 0.020 1 184 25 25 ALA HA H 4.464 0.020 1 185 25 25 ALA HB H 0.995 0.020 1 186 25 25 ALA C C 173.800 0.400 1 187 25 25 ALA CA C 48.995 0.400 1 188 25 25 ALA CB C 22.160 0.400 1 189 25 25 ALA N N 118.100 0.400 1 190 26 26 SER H H 7.323 0.020 1 191 26 26 SER HA H 5.650 0.020 1 192 26 26 SER HB2 H 2.865 0.020 2 193 26 26 SER HB3 H 3.428 0.020 2 194 26 26 SER C C 172.400 0.400 1 195 26 26 SER CA C 57.180 0.400 1 196 26 26 SER CB C 63.080 0.400 1 197 26 26 SER N N 115.203 0.400 1 198 27 27 SER H H 7.521 0.020 1 199 27 27 SER HA H 4.492 0.020 1 200 27 27 SER HB2 H 3.745 0.020 2 201 27 27 SER HB3 H 4.104 0.020 2 202 27 27 SER C C 169.800 0.400 1 203 27 27 SER CA C 55.860 0.400 1 204 27 27 SER CB C 61.049 0.400 1 205 27 27 SER N N 112.444 0.400 1 206 28 28 SER H H 8.603 0.020 1 207 28 28 SER HA H 5.226 0.020 1 208 28 28 SER HB2 H 3.576 0.020 2 209 28 28 SER HB3 H 3.937 0.020 2 210 28 28 SER C C 169.800 0.400 1 211 28 28 SER CA C 55.940 0.400 1 212 28 28 SER CB C 63.580 0.400 1 213 28 28 SER N N 111.288 0.400 1 214 29 29 TYR H H 8.344 0.020 1 215 29 29 TYR HB2 H 2.292 0.020 2 216 29 29 TYR HB3 H 2.292 0.020 2 217 29 29 TYR C C 170.800 0.400 1 218 29 29 TYR CA C 55.030 0.400 1 219 29 29 TYR CB C 37.430 0.400 1 220 29 29 TYR N N 126.100 0.400 1 221 30 30 LYS H H 7.684 0.020 1 222 30 30 LYS HA H 4.128 0.020 1 223 30 30 LYS HB2 H 1.840 0.020 2 224 30 30 LYS HB3 H 1.840 0.020 2 225 30 30 LYS HD2 H 1.482 0.020 2 226 30 30 LYS HD3 H 1.482 0.020 2 227 30 30 LYS HG2 H 1.233 0.020 2 228 30 30 LYS HG3 H 1.233 0.020 2 229 30 30 LYS C C 171.200 0.400 1 230 30 30 LYS CA C 51.700 0.400 1 231 30 30 LYS CB C 30.900 0.400 1 232 30 30 LYS CD C 31.880 0.400 1 233 30 30 LYS CG C 23.810 0.400 1 234 30 30 LYS N N 126.500 0.400 1 235 31 31 THR H H 8.006 0.020 1 236 31 31 THR HB H 3.825 0.020 1 237 31 31 THR HG2 H 1.396 0.020 1 238 31 31 THR C C 172.000 0.400 1 239 31 31 THR CA C 54.620 0.400 1 240 31 31 THR CB C 63.690 0.400 1 241 31 31 THR N N 125.300 0.400 1 242 32 32 TRP H H 8.690 0.020 1 243 32 32 TRP HA H 4.195 0.020 1 244 32 32 TRP HB2 H 2.860 0.020 2 245 32 32 TRP HB3 H 3.607 0.020 2 246 32 32 TRP HE1 H 9.986 0.020 1 247 32 32 TRP C C 173.900 0.400 1 248 32 32 TRP CA C 55.250 0.400 1 249 32 32 TRP CB C 24.480 0.400 1 250 32 32 TRP N N 121.800 0.400 1 251 32 32 TRP NE1 N 130.200 0.400 1 252 33 33 ASN H H 6.050 0.020 1 253 33 33 ASN HA H 4.118 0.020 1 254 33 33 ASN HB2 H 1.832 0.020 2 255 33 33 ASN HB3 H 2.547 0.020 2 256 33 33 ASN C C 172.100 0.400 1 257 33 33 ASN CA C 51.820 0.400 1 258 33 33 ASN CB C 35.340 0.400 1 259 33 33 ASN N N 114.818 0.400 1 260 34 34 LEU H H 7.541 0.020 1 261 34 34 LEU HB2 H 1.482 0.020 2 262 34 34 LEU HD2 H 1.046 0.020 2 263 34 34 LEU HG H 1.241 0.020 1 264 34 34 LEU C C 172.400 0.400 1 265 34 34 LEU CA C 52.140 0.400 1 266 34 34 LEU CB C 40.260 0.400 1 267 34 34 LEU CD1 C 24.100 0.400 1 268 34 34 LEU CD2 C 23.040 0.400 1 269 34 34 LEU CG C 26.780 0.400 1 270 34 34 LEU N N 120.300 0.400 1 271 35 35 ARG H H 8.881 0.020 1 272 35 35 ARG HA H 4.160 0.020 1 273 35 35 ARG HB2 H 1.459 0.020 2 274 35 35 ARG HB3 H 1.537 0.020 2 275 35 35 ARG HE H 7.356 0.020 1 276 35 35 ARG HG2 H 1.142 0.020 2 277 35 35 ARG HG3 H 1.240 0.020 2 278 35 35 ARG CA C 52.180 0.400 1 279 35 35 ARG CB C 33.120 0.400 1 280 35 35 ARG CD C 39.380 0.400 1 281 35 35 ARG N N 120.600 0.400 1 282 35 35 ARG NE N 128.800 0.400 1 283 36 36 ALA HA H 4.167 0.020 1 284 36 36 ALA HB H 0.992 0.020 1 285 36 36 ALA C C 175.000 0.400 1 286 36 36 ALA CA C 50.860 0.400 1 287 36 36 ALA CB C 15.574 0.400 1 288 37 37 PHE H H 7.776 0.020 1 289 37 37 PHE HA H 4.683 0.020 1 290 37 37 PHE HB2 H 3.013 0.020 2 291 37 37 PHE HB3 H 3.272 0.020 2 292 37 37 PHE HD1 H 7.290 0.020 1 293 37 37 PHE HD2 H 7.290 0.020 1 294 37 37 PHE HE1 H 7.270 0.020 1 295 37 37 PHE HE2 H 7.270 0.020 1 296 37 37 PHE C C 171.800 0.400 1 297 37 37 PHE CA C 52.425 0.400 1 298 37 37 PHE CB C 36.420 0.400 1 299 37 37 PHE N N 117.700 0.400 1 300 38 38 GLY H H 6.886 0.020 1 301 38 38 GLY HA2 H 3.492 0.020 2 302 38 38 GLY HA3 H 3.856 0.020 2 303 38 38 GLY C C 171.400 0.400 1 304 38 38 GLY CA C 42.308 0.400 1 305 38 38 GLY N N 103.400 0.400 1 306 39 39 TRP H H 8.006 0.020 1 307 39 39 TRP HA H 4.679 0.020 1 308 39 39 TRP HB2 H 2.741 0.020 2 309 39 39 TRP HB3 H 3.223 0.020 2 310 39 39 TRP HD1 H 7.125 0.020 1 311 39 39 TRP HE1 H 9.973 0.020 1 312 39 39 TRP HZ2 H 7.374 0.020 1 313 39 39 TRP C C 171.400 0.400 1 314 39 39 TRP CA C 52.300 0.400 1 315 39 39 TRP CB C 27.482 0.400 1 316 39 39 TRP N N 120.395 0.400 1 317 39 39 TRP NE1 N 130.100 0.400 1 318 40 40 TYR H H 9.090 0.020 1 319 40 40 TYR HA H 4.119 0.020 1 320 40 40 TYR HB2 H 2.700 0.020 2 321 40 40 TYR HB3 H 2.963 0.020 2 322 40 40 TYR C C 175.800 0.400 1 323 40 40 TYR CA C 60.190 0.400 1 324 40 40 TYR CB C 35.235 0.400 1 325 40 40 TYR N N 126.689 0.400 1 326 41 41 PRO HA H 4.095 0.020 1 327 41 41 PRO HB2 H 1.932 0.020 2 328 41 41 PRO HB3 H 2.142 0.020 2 329 41 41 PRO HD2 H 3.646 0.020 2 330 41 41 PRO HD3 H 3.646 0.020 2 331 41 41 PRO HG2 H 1.794 0.020 2 332 41 41 PRO HG3 H 1.794 0.020 2 333 41 41 PRO C C 175.100 0.400 1 334 41 41 PRO CA C 62.474 0.400 1 335 41 41 PRO CB C 28.530 0.400 1 336 41 41 PRO CD C 48.070 0.400 1 337 42 42 HIS H H 7.098 0.020 1 338 42 42 HIS HA H 5.353 0.020 1 339 42 42 HIS HB2 H 2.983 0.020 2 340 42 42 HIS HB3 H 3.702 0.020 2 341 42 42 HIS C C 172.800 0.400 1 342 42 42 HIS CA C 54.690 0.400 1 343 42 42 HIS CB C 26.355 0.400 1 344 42 42 HIS N N 107.494 0.400 1 345 43 43 LEU H H 7.362 0.020 1 346 43 43 LEU HA H 4.124 0.020 1 347 43 43 LEU HB2 H 1.703 0.020 2 348 43 43 LEU HB3 H 1.703 0.020 2 349 43 43 LEU HD1 H 0.836 0.020 2 350 43 43 LEU HD2 H 0.743 0.020 2 351 43 43 LEU HG H 1.147 0.020 1 352 43 43 LEU C C 177.100 0.400 1 353 43 43 LEU CA C 51.500 0.400 1 354 43 43 LEU CB C 38.010 0.400 1 355 43 43 LEU CD1 C 19.740 0.400 1 356 43 43 LEU CD2 C 23.510 0.400 1 357 43 43 LEU CG C 24.140 0.400 1 358 43 43 LEU N N 119.077 0.400 1 359 44 44 GLY H H 8.260 0.020 1 360 44 44 GLY HA2 H 3.465 0.020 2 361 44 44 GLY HA3 H 4.763 0.020 2 362 44 44 GLY C C 171.900 0.400 1 363 44 44 GLY CA C 46.780 0.400 1 364 44 44 GLY N N 109.631 0.400 1 365 45 45 ARG H H 8.343 0.020 1 366 45 45 ARG HA H 4.648 0.020 1 367 45 45 ARG HB2 H 1.558 0.020 2 368 45 45 ARG HB3 H 1.558 0.020 2 369 45 45 ARG HD2 H 2.949 0.020 2 370 45 45 ARG HD3 H 2.949 0.020 2 371 45 45 ARG HG2 H 1.147 0.020 2 372 45 45 ARG HG3 H 1.147 0.020 2 373 45 45 ARG C C 172.700 0.400 1 374 45 45 ARG CB C 30.690 0.400 1 375 45 45 ARG CD C 41.730 0.400 1 376 45 45 ARG CG C 26.340 0.400 1 377 45 45 ARG N N 123.677 0.400 1 378 46 46 LEU H H 7.469 0.020 1 379 46 46 LEU HA H 3.546 0.020 1 380 46 46 LEU HB2 H 0.972 0.020 2 381 46 46 LEU HB3 H 1.481 0.020 2 382 46 46 LEU HD1 H -0.039 0.020 2 383 46 46 LEU HD2 H 0.332 0.020 2 384 46 46 LEU HG H 0.750 0.020 1 385 46 46 LEU C C 172.300 0.400 1 386 46 46 LEU CA C 53.212 0.400 1 387 46 46 LEU CB C 41.790 0.400 1 388 46 46 LEU CD1 C 22.910 0.400 1 389 46 46 LEU CD2 C 23.410 0.400 1 390 46 46 LEU CG C 24.030 0.400 1 391 46 46 LEU N N 125.011 0.400 1 392 47 47 ASP H H 10.294 0.020 1 393 47 47 ASP HA H 4.245 0.020 1 394 47 47 ASP HB2 H 2.794 0.020 2 395 47 47 ASP HB3 H 3.061 0.020 2 396 47 47 ASP C C 173.200 0.400 1 397 47 47 ASP CA C 53.510 0.400 1 398 47 47 ASP CB C 36.460 0.400 1 399 47 47 ASP N N 119.672 0.400 1 400 48 48 ASN H H 8.217 0.020 1 401 48 48 ASN HA H 4.596 0.020 1 402 48 48 ASN HB2 H 3.204 0.020 2 403 48 48 ASN HB3 H 3.302 0.020 2 404 48 48 ASN HD21 H 6.434 0.020 2 405 48 48 ASN HD22 H 7.827 0.020 2 406 48 48 ASN C C 173.800 0.400 1 407 48 48 ASN CA C 51.850 0.400 1 408 48 48 ASN CB C 34.800 0.400 1 409 48 48 ASN N N 119.267 0.400 1 410 49 49 GLN H H 8.290 0.020 1 411 49 49 GLN HA H 4.636 0.020 1 412 49 49 GLN HB2 H 1.864 0.020 2 413 49 49 GLN HB3 H 2.143 0.020 2 414 49 49 GLN HG2 H 2.416 0.020 2 415 49 49 GLN HG3 H 2.416 0.020 2 416 49 49 GLN C C 172.500 0.400 1 417 49 49 GLN CA C 51.541 0.400 1 418 49 49 GLN CB C 28.770 0.400 1 419 49 49 GLN CG C 31.520 0.400 1 420 49 49 GLN N N 124.398 0.400 1 421 50 50 GLY H H 8.044 0.020 1 422 50 50 GLY HA2 H 3.649 0.020 2 423 50 50 GLY HA3 H 4.175 0.020 2 424 50 50 GLY C C 170.000 0.400 1 425 50 50 GLY CA C 40.930 0.400 1 426 50 50 GLY N N 108.182 0.400 1 427 51 51 LYS H H 8.077 0.020 1 428 51 51 LYS HA H 3.785 0.020 1 429 51 51 LYS HB2 H 1.583 0.020 2 430 51 51 LYS HB3 H 1.583 0.020 2 431 51 51 LYS HD2 H 1.560 0.020 2 432 51 51 LYS HD3 H 1.560 0.020 2 433 51 51 LYS HE2 H 2.922 0.020 2 434 51 51 LYS HE3 H 2.922 0.020 2 435 51 51 LYS HG2 H 1.307 0.020 2 436 51 51 LYS HG3 H 1.307 0.020 2 437 51 51 LYS C C 174.100 0.400 1 438 51 51 LYS CA C 56.329 0.400 1 439 51 51 LYS CB C 29.670 0.400 1 440 51 51 LYS CD C 30.010 0.400 1 441 51 51 LYS CE C 38.170 0.400 1 442 51 51 LYS CG C 22.290 0.400 1 443 51 51 LYS N N 119.219 0.400 1 444 52 52 ILE H H 7.255 0.020 1 445 52 52 ILE HA H 4.191 0.020 1 446 52 52 ILE HB H 2.696 0.020 1 447 52 52 ILE HD1 H -0.906 0.020 1 448 52 52 ILE HG12 H 1.226 0.020 2 449 52 52 ILE HG2 H 0.836 0.020 1 450 52 52 ILE C C 173.400 0.400 1 451 52 52 ILE CA C 58.363 0.400 1 452 52 52 ILE CB C 33.660 0.400 1 453 52 52 ILE CD1 C 10.400 0.400 1 454 52 52 ILE CG1 C 23.720 0.400 1 455 52 52 ILE CG2 C 12.750 0.400 1 456 52 52 ILE N N 116.516 0.400 1 457 53 53 ASN H H 7.005 0.020 1 458 53 53 ASN HA H 4.415 0.020 1 459 53 53 ASN HB2 H 1.897 0.020 2 460 53 53 ASN HB3 H 2.332 0.020 2 461 53 53 ASN C C 167.800 0.400 1 462 53 53 ASN CA C 49.582 0.400 1 463 53 53 ASN CB C 35.180 0.400 1 464 53 53 ASN N N 123.879 0.400 1 465 54 54 ALA H H 6.833 0.020 1 466 54 54 ALA HA H 4.536 0.020 1 467 54 54 ALA HB H 1.153 0.020 1 468 54 54 ALA C C 171.300 0.400 1 469 54 54 ALA CA C 47.785 0.400 1 470 54 54 ALA CB C 20.730 0.400 1 471 54 54 ALA N N 115.521 0.400 1 472 55 55 TRP H H 7.577 0.020 1 473 55 55 TRP HA H 4.775 0.020 1 474 55 55 TRP HB2 H 2.920 0.020 2 475 55 55 TRP HB3 H 3.171 0.020 2 476 55 55 TRP HD1 H 7.304 0.020 1 477 55 55 TRP HE1 H 10.698 0.020 1 478 55 55 TRP C C 174.100 0.400 1 479 55 55 TRP CA C 53.619 0.400 1 480 55 55 TRP CB C 26.430 0.400 1 481 55 55 TRP N N 116.503 0.400 1 482 55 55 TRP NE1 N 133.101 0.400 1 483 56 56 THR H H 7.493 0.020 1 484 56 56 THR HA H 4.741 0.020 1 485 56 56 THR HB H 3.228 0.020 1 486 56 56 THR HG2 H 0.291 0.020 1 487 56 56 THR C C 169.700 0.400 1 488 56 56 THR CA C 56.648 0.400 1 489 56 56 THR CB C 69.827 0.400 1 490 56 56 THR CG2 C 18.340 0.400 1 491 56 56 THR N N 124.934 0.400 1 492 57 57 ALA H H 6.526 0.020 1 493 57 57 ALA HA H 3.673 0.020 1 494 57 57 ALA HB H 0.886 0.020 1 495 57 57 ALA C C 171.200 0.400 1 496 57 57 ALA CA C 48.600 0.400 1 497 57 57 ALA CB C 16.570 0.400 1 498 57 57 ALA N N 126.794 0.400 1 499 58 58 GLN H H 7.156 0.020 1 500 58 58 GLN HA H 3.457 0.020 1 501 58 58 GLN HB2 H 2.113 0.020 2 502 58 58 GLN HB3 H 2.113 0.020 2 503 58 58 GLN HG2 H 1.797 0.020 2 504 58 58 GLN HG3 H 2.233 0.020 2 505 58 58 GLN C C 172.100 0.400 1 506 58 58 GLN CA C 56.720 0.400 1 507 58 58 GLN CB C 26.140 0.400 1 508 58 58 GLN CG C 31.190 0.400 1 509 59 59 SER HA H 4.284 0.020 1 510 59 59 SER HB2 H 3.459 0.020 2 511 59 59 SER HB3 H 3.459 0.020 2 512 59 59 SER C C 171.200 0.400 1 513 59 59 SER CA C 52.930 0.400 1 514 59 59 SER CB C 63.130 0.400 1 515 59 59 SER N N 109.500 0.400 1 516 60 60 ASN H H 8.147 0.020 1 517 60 60 ASN HA H 3.971 0.020 1 518 60 60 ASN HB2 H 2.022 0.020 2 519 60 60 ASN HB3 H 2.493 0.020 2 520 60 60 ASN HD21 H 7.157 0.020 2 521 60 60 ASN HD22 H 6.302 0.020 2 522 60 60 ASN C C 170.800 0.400 1 523 60 60 ASN CA C 47.558 0.400 1 524 60 60 ASN CB C 33.890 0.400 1 525 60 60 ASN N N 119.211 0.400 1 526 60 60 ASN ND2 N 110.300 0.400 1 527 61 61 SER H H 6.349 0.020 1 528 61 61 SER HA H 4.581 0.020 1 529 61 61 SER HB2 H 3.478 0.020 2 530 61 61 SER HB3 H 3.841 0.020 2 531 61 61 SER C C 169.700 0.400 1 532 61 61 SER CA C 54.030 0.400 1 533 61 61 SER CB C 62.306 0.400 1 534 61 61 SER N N 117.331 0.400 1 535 62 62 ALA H H 8.810 0.020 1 536 62 62 ALA HA H 4.673 0.020 1 537 62 62 ALA HB H 1.596 0.020 1 538 62 62 ALA C C 175.100 0.400 1 539 62 62 ALA CA C 50.042 0.400 1 540 62 62 ALA CB C 15.977 0.400 1 541 62 62 ALA N N 123.158 0.400 1 542 63 63 LYS H H 8.109 0.020 1 543 63 63 LYS HA H 4.467 0.020 1 544 63 63 LYS HB2 H 1.974 0.020 2 545 63 63 LYS HB3 H 1.974 0.020 2 546 63 63 LYS HD2 H 1.565 0.020 2 547 63 63 LYS HD3 H 1.565 0.020 2 548 63 63 LYS HE2 H 3.177 0.020 2 549 63 63 LYS HE3 H 3.177 0.020 2 550 63 63 LYS HG2 H 1.297 0.020 2 551 63 63 LYS HG3 H 1.297 0.020 2 552 63 63 LYS C C 174.000 0.400 1 553 63 63 LYS CB C 29.640 0.400 1 554 63 63 LYS CD C 26.340 0.400 1 555 63 63 LYS CE C 39.320 0.400 1 556 63 63 LYS CG C 22.290 0.400 1 557 63 63 LYS N N 117.895 0.400 1 558 64 64 GLU H H 7.395 0.020 1 559 64 64 GLU HA H 4.350 0.020 1 560 64 64 GLU HB2 H 1.669 0.020 2 561 64 64 GLU HB3 H 2.105 0.020 2 562 64 64 GLU HG2 H 2.008 0.020 2 563 64 64 GLU HG3 H 2.242 0.020 2 564 64 64 GLU C C 172.400 0.400 1 565 64 64 GLU CA C 52.410 0.400 1 566 64 64 GLU CB C 27.230 0.400 1 567 64 64 GLU CG C 32.500 0.400 1 568 64 64 GLU N N 119.689 0.400 1 569 65 65 TRP H H 8.748 0.020 1 570 65 65 TRP HA H 5.008 0.020 1 571 65 65 TRP HB2 H 2.546 0.020 2 572 65 65 TRP HB3 H 3.434 0.020 2 573 65 65 TRP HD1 H 7.390 0.020 1 574 65 65 TRP HE1 H 9.733 0.020 1 575 65 65 TRP HZ2 H 7.110 0.020 1 576 65 65 TRP HZ3 H 6.759 0.020 1 577 65 65 TRP C C 170.000 0.400 1 578 65 65 TRP CA C 53.400 0.400 1 579 65 65 TRP CB C 28.750 0.400 1 580 65 65 TRP N N 111.310 0.400 1 581 65 65 TRP NE1 N 128.486 0.400 1 582 66 66 LEU H H 7.319 0.020 1 583 66 66 LEU HA H 4.184 0.020 1 584 66 66 LEU HB2 H 0.956 0.020 2 585 66 66 LEU HB3 H 1.131 0.020 2 586 66 66 LEU HD1 H 0.291 0.020 2 587 66 66 LEU HD2 H 0.393 0.020 2 588 66 66 LEU HG H 1.097 0.020 1 589 66 66 LEU C C 171.600 0.400 1 590 66 66 LEU CA C 50.880 0.400 1 591 66 66 LEU CB C 42.040 0.400 1 592 66 66 LEU CD1 C 20.800 0.400 1 593 66 66 LEU CD2 C 23.850 0.400 1 594 66 66 LEU CG C 24.030 0.400 1 595 66 66 LEU N N 119.088 0.400 1 596 67 67 GLN H H 9.648 0.020 1 597 67 67 GLN HA H 5.464 0.020 1 598 67 67 GLN HB2 H 1.911 0.020 2 599 67 67 GLN HB3 H 2.104 0.020 2 600 67 67 GLN HE21 H 6.870 0.020 2 601 67 67 GLN HE22 H 7.572 0.020 2 602 67 67 GLN HG2 H 2.207 0.020 2 603 67 67 GLN HG3 H 2.207 0.020 2 604 67 67 GLN C C 171.000 0.400 1 605 67 67 GLN CA C 51.460 0.400 1 606 67 67 GLN CB C 31.450 0.400 1 607 67 67 GLN CG C 32.570 0.400 1 608 67 67 GLN N N 126.736 0.400 1 609 67 67 GLN NE2 N 117.000 0.400 1 610 68 68 VAL H H 9.281 0.020 1 611 68 68 VAL HA H 4.551 0.020 1 612 68 68 VAL HB H 1.845 0.020 1 613 68 68 VAL HG1 H 0.800 0.020 2 614 68 68 VAL HG2 H 0.893 0.020 2 615 68 68 VAL C C 171.400 0.400 1 616 68 68 VAL CA C 58.354 0.400 1 617 68 68 VAL CB C 33.120 0.400 1 618 68 68 VAL CG1 C 18.970 0.400 1 619 68 68 VAL CG2 C 19.920 0.400 1 620 68 68 VAL N N 123.764 0.400 1 621 69 69 ASP H H 8.698 0.020 1 622 69 69 ASP HA H 4.728 0.020 1 623 69 69 ASP HB2 H 2.599 0.020 2 624 69 69 ASP HB3 H 2.909 0.020 2 625 69 69 ASP C C 173.600 0.400 1 626 69 69 ASP CA C 49.523 0.400 1 627 69 69 ASP CB C 38.960 0.400 1 628 69 69 ASP N N 125.677 0.400 1 629 70 70 LEU H H 9.394 0.020 1 630 70 70 LEU HA H 3.995 0.020 1 631 70 70 LEU HB2 H 2.273 0.020 2 632 70 70 LEU HB3 H 2.273 0.020 2 633 70 70 LEU HD1 H 0.704 0.020 2 634 70 70 LEU HD2 H 0.704 0.020 2 635 70 70 LEU HG H 1.521 0.020 1 636 70 70 LEU C C 176.300 0.400 1 637 70 70 LEU CA C 53.360 0.400 1 638 70 70 LEU CB C 38.940 0.400 1 639 70 70 LEU CD1 C 21.230 0.400 1 640 70 70 LEU CD2 C 23.350 0.400 1 641 70 70 LEU CG C 23.850 0.400 1 642 70 70 LEU N N 124.487 0.400 1 643 71 71 GLY H H 9.003 0.020 1 644 71 71 GLY HA2 H 3.113 0.020 2 645 71 71 GLY HA3 H 4.146 0.020 2 646 71 71 GLY C C 169.400 0.400 1 647 71 71 GLY CA C 42.940 0.400 1 648 71 71 GLY N N 111.508 0.400 1 649 72 72 THR H H 7.316 0.020 1 650 72 72 THR HA H 4.152 0.020 1 651 72 72 THR HB H 4.017 0.020 1 652 72 72 THR HG2 H 0.834 0.020 1 653 72 72 THR C C 168.700 0.400 1 654 72 72 THR CA C 56.253 0.400 1 655 72 72 THR CB C 66.565 0.400 1 656 72 72 THR CG2 C 16.230 0.400 1 657 72 72 THR N N 112.221 0.400 1 658 73 73 GLN H H 7.840 0.020 1 659 73 73 GLN HA H 3.840 0.020 1 660 73 73 GLN HB2 H 1.820 0.020 2 661 73 73 GLN HB3 H 1.820 0.020 2 662 73 73 GLN HG2 H 2.132 0.020 2 663 73 73 GLN HG3 H 2.132 0.020 2 664 73 73 GLN C C 172.900 0.400 1 665 73 73 GLN CA C 54.320 0.400 1 666 73 73 GLN CB C 26.850 0.400 1 667 73 73 GLN CG C 32.680 0.400 1 668 73 73 GLN N N 120.302 0.400 1 669 74 74 ARG H H 8.446 0.020 1 670 74 74 ARG HA H 4.589 0.020 1 671 74 74 ARG HB2 H 1.605 0.020 2 672 74 74 ARG HB3 H 1.669 0.020 2 673 74 74 ARG HD2 H 2.895 0.020 2 674 74 74 ARG HD3 H 3.218 0.020 2 675 74 74 ARG HE H 7.365 0.020 1 676 74 74 ARG HG2 H 1.489 0.020 2 677 74 74 ARG HG3 H 1.489 0.020 2 678 74 74 ARG C C 171.200 0.400 1 679 74 74 ARG CB C 30.790 0.400 1 680 74 74 ARG CD C 41.030 0.400 1 681 74 74 ARG CG C 23.820 0.400 1 682 74 74 ARG N N 124.302 0.400 1 683 74 74 ARG NE N 82.688 0.400 1 684 75 75 GLN H H 8.557 0.020 1 685 75 75 GLN HA H 4.643 0.020 1 686 75 75 GLN HB2 H 1.651 0.020 2 687 75 75 GLN HB3 H 1.651 0.020 2 688 75 75 GLN HE21 H 6.646 0.020 2 689 75 75 GLN HE22 H 6.745 0.020 2 690 75 75 GLN HG2 H 1.811 0.020 2 691 75 75 GLN HG3 H 1.829 0.020 2 692 75 75 GLN C C 171.200 0.400 1 693 75 75 GLN CA C 53.030 0.400 1 694 75 75 GLN CB C 26.480 0.400 1 695 75 75 GLN CG C 32.360 0.400 1 696 75 75 GLN N N 121.298 0.400 1 697 75 75 GLN NE2 N 110.200 0.400 1 698 76 76 VAL H H 8.881 0.020 1 699 76 76 VAL HA H 4.238 0.020 1 700 76 76 VAL HB H 1.870 0.020 1 701 76 76 VAL HG1 H 0.623 0.020 2 702 76 76 VAL HG2 H 0.984 0.020 2 703 76 76 VAL C C 172.700 0.400 1 704 76 76 VAL CA C 59.852 0.400 1 705 76 76 VAL CB C 28.930 0.400 1 706 76 76 VAL CG1 C 20.610 0.400 1 707 76 76 VAL CG2 C 20.610 0.400 1 708 76 76 VAL N N 130.123 0.400 1 709 77 77 THR H H 9.274 0.020 1 710 77 77 THR HA H 4.381 0.020 1 711 77 77 THR HB H 4.264 0.020 1 712 77 77 THR HG2 H 1.034 0.020 1 713 77 77 THR C C 172.800 0.400 1 714 77 77 THR CA C 58.088 0.400 1 715 77 77 THR CB C 67.681 0.400 1 716 77 77 THR CG2 C 19.730 0.400 1 717 77 77 THR N N 113.524 0.400 1 718 78 78 GLY H H 7.637 0.020 1 719 78 78 GLY HA2 H 3.590 0.020 2 720 78 78 GLY HA3 H 4.168 0.020 2 721 78 78 GLY C C 167.000 0.400 1 722 78 78 GLY CA C 43.460 0.400 1 723 78 78 GLY N N 110.634 0.400 1 724 79 79 ILE H H 8.403 0.020 1 725 79 79 ILE HA H 4.807 0.020 1 726 79 79 ILE HB H 1.710 0.020 1 727 79 79 ILE HD1 H 0.605 0.020 1 728 79 79 ILE HG12 H 1.593 0.020 2 729 79 79 ILE HG13 H 1.593 0.020 2 730 79 79 ILE HG2 H 0.649 0.020 1 731 79 79 ILE C C 168.300 0.400 1 732 79 79 ILE CA C 56.969 0.400 1 733 79 79 ILE CB C 39.290 0.400 1 734 79 79 ILE CD1 C 11.700 0.400 1 735 79 79 ILE CG1 C 25.720 0.400 1 736 79 79 ILE CG2 C 13.260 0.400 1 737 79 79 ILE N N 117.700 0.400 1 738 80 80 ILE H H 8.603 0.020 1 739 80 80 ILE HA H 5.060 0.020 1 740 80 80 ILE HB H 1.623 0.020 1 741 80 80 ILE HD1 H 0.570 0.020 1 742 80 80 ILE HG12 H 1.256 0.020 2 743 80 80 ILE HG13 H 1.256 0.020 2 744 80 80 ILE C C 172.600 0.400 1 745 80 80 ILE CA C 56.981 0.400 1 746 80 80 ILE CB C 38.420 0.400 1 747 80 80 ILE CD1 C 11.330 0.400 1 748 80 80 ILE CG1 C 25.720 0.400 1 749 80 80 ILE CG2 C 16.760 0.400 1 750 80 80 ILE N N 124.541 0.400 1 751 81 81 THR H H 8.113 0.020 1 752 81 81 THR HA H 5.561 0.020 1 753 81 81 THR HB H 4.408 0.020 1 754 81 81 THR HG2 H 0.837 0.020 1 755 81 81 THR C C 171.600 0.400 1 756 81 81 THR CA C 57.184 0.400 1 757 81 81 THR CB C 70.439 0.400 1 758 81 81 THR CG2 C 16.970 0.400 1 759 81 81 THR N N 112.127 0.400 1 760 82 82 GLN H H 8.831 0.020 1 761 82 82 GLN HA H 4.736 0.020 1 762 82 82 GLN HB2 H 1.744 0.020 2 763 82 82 GLN HB3 H 1.793 0.020 2 764 82 82 GLN HE21 H 7.643 0.020 2 765 82 82 GLN HE22 H 6.804 0.020 2 766 82 82 GLN HG2 H 2.294 0.020 2 767 82 82 GLN HG3 H 2.364 0.020 2 768 82 82 GLN C C 173.500 0.400 1 769 82 82 GLN CA C 51.840 0.400 1 770 82 82 GLN CB C 33.430 0.400 1 771 82 82 GLN CG C 33.840 0.400 1 772 82 82 GLN N N 124.423 0.400 1 773 82 82 GLN NE2 N 112.823 0.400 1 774 83 83 GLY H H 8.898 0.020 1 775 83 83 GLY HA2 H 4.117 0.020 2 776 83 83 GLY HA3 H 4.690 0.020 2 777 83 83 GLY C C 170.100 0.400 1 778 83 83 GLY CA C 41.939 0.400 1 779 83 83 GLY N N 112.703 0.400 1 780 84 84 ALA H H 9.182 0.020 1 781 84 84 ALA HA H 4.608 0.020 1 782 84 84 ALA HB H 1.427 0.020 1 783 84 84 ALA C C 171.600 0.400 1 784 84 84 ALA CA C 50.429 0.400 1 785 84 84 ALA CB C 18.056 0.400 1 786 84 84 ALA N N 119.804 0.400 1 787 85 85 ARG H H 8.219 0.020 1 788 85 85 ARG HA H 5.148 0.020 1 789 85 85 ARG HB2 H 1.392 0.020 2 790 85 85 ARG HB3 H 1.588 0.020 2 791 85 85 ARG HD2 H 2.918 0.020 2 792 85 85 ARG HD3 H 2.944 0.020 2 793 85 85 ARG HG2 H 1.189 0.020 2 794 85 85 ARG HG3 H 1.276 0.020 2 795 85 85 ARG C C 171.400 0.400 1 796 85 85 ARG CA C 52.082 0.400 1 797 85 85 ARG CB C 31.560 0.400 1 798 85 85 ARG CG C 24.506 0.400 1 799 85 85 ARG N N 118.006 0.400 1 800 86 86 ASP H H 8.329 0.020 1 801 86 86 ASP HA H 4.929 0.020 1 802 86 86 ASP HB2 H 1.916 0.020 2 803 86 86 ASP HB3 H 2.432 0.020 2 804 86 86 ASP C C 173.300 0.400 1 805 86 86 ASP CA C 50.167 0.400 1 806 86 86 ASP CB C 39.568 0.400 1 807 86 86 ASP N N 123.678 0.400 1 808 87 87 PHE H H 8.838 0.020 1 809 87 87 PHE HA H 3.906 0.020 1 810 87 87 PHE HB2 H 2.932 0.020 2 811 87 87 PHE HB3 H 3.260 0.020 2 812 87 87 PHE HD1 H 7.302 0.020 1 813 87 87 PHE HD2 H 7.302 0.020 1 814 87 87 PHE HE1 H 7.125 0.020 1 815 87 87 PHE HE2 H 7.125 0.020 1 816 87 87 PHE C C 172.900 0.400 1 817 87 87 PHE CA C 57.028 0.400 1 818 87 87 PHE CB C 34.194 0.400 1 819 87 87 PHE N N 125.545 0.400 1 820 88 88 GLY H H 8.333 0.020 1 821 88 88 GLY HA2 H 3.479 0.020 2 822 88 88 GLY HA3 H 4.687 0.020 2 823 88 88 GLY C C 171.200 0.400 1 824 88 88 GLY CA C 42.480 0.400 1 825 88 88 GLY N N 104.822 0.400 1 826 89 89 HIS H H 8.020 0.020 1 827 89 89 HIS HB2 H 2.938 0.020 2 828 89 89 HIS HB3 H 2.938 0.020 2 829 89 89 HIS C C 171.400 0.400 1 830 89 89 HIS CA C 53.690 0.400 1 831 89 89 HIS CB C 27.840 0.400 1 832 89 89 HIS N N 119.300 0.400 1 833 90 90 ILE H H 9.123 0.020 1 834 90 90 ILE HA H 3.883 0.020 1 835 90 90 ILE HB H 1.944 0.020 1 836 90 90 ILE HD1 H 0.882 0.020 1 837 90 90 ILE HG12 H 1.638 0.020 2 838 90 90 ILE HG13 H 1.638 0.020 2 839 90 90 ILE HG2 H 1.020 0.020 1 840 90 90 ILE C C 172.600 0.400 1 841 90 90 ILE CA C 60.214 0.400 1 842 90 90 ILE CB C 35.531 0.400 1 843 90 90 ILE CD1 C 10.460 0.400 1 844 90 90 ILE CG1 C 25.410 0.400 1 845 90 90 ILE CG2 C 14.550 0.400 1 846 90 90 ILE N N 126.700 0.400 1 847 91 91 GLN H H 8.568 0.020 1 848 91 91 GLN HA H 5.230 0.020 1 849 91 91 GLN HB2 H 1.579 0.020 2 850 91 91 GLN HB3 H 1.871 0.020 2 851 91 91 GLN HE21 H 7.888 0.020 2 852 91 91 GLN HE22 H 6.756 0.020 2 853 91 91 GLN HG2 H 2.143 0.020 2 854 91 91 GLN HG3 H 2.267 0.020 2 855 91 91 GLN C C 170.800 0.400 1 856 91 91 GLN CA C 51.251 0.400 1 857 91 91 GLN CB C 29.010 0.400 1 858 91 91 GLN N N 126.394 0.400 1 859 91 91 GLN NE2 N 114.100 0.400 1 860 92 92 TYR H H 7.806 0.020 1 861 92 92 TYR HA H 5.207 0.020 1 862 92 92 TYR HB2 H 2.945 0.020 2 863 92 92 TYR HB3 H 3.459 0.020 2 864 92 92 TYR HD1 H 7.089 0.020 1 865 92 92 TYR HD2 H 6.232 0.020 1 866 92 92 TYR C C 170.500 0.400 1 867 92 92 TYR CA C 54.000 0.400 1 868 92 92 TYR CB C 36.340 0.400 1 869 92 92 TYR N N 113.996 0.400 1 870 93 93 VAL H H 10.251 0.020 1 871 93 93 VAL HA H 4.277 0.020 1 872 93 93 VAL HG1 H 0.769 0.020 2 873 93 93 VAL HG2 H 1.122 0.020 2 874 93 93 VAL C C 172.000 0.400 1 875 93 93 VAL CA C 61.360 0.400 1 876 93 93 VAL CB C 29.320 0.400 1 877 93 93 VAL CG1 C 21.610 0.400 1 878 93 93 VAL CG2 C 21.610 0.400 1 879 93 93 VAL N N 121.557 0.400 1 880 94 94 ALA H H 9.006 0.020 1 881 94 94 ALA HA H 5.046 0.020 1 882 94 94 ALA HB H 1.414 0.020 1 883 94 94 ALA C C 176.100 0.400 1 884 94 94 ALA CA C 49.943 0.400 1 885 94 94 ALA CB C 17.196 0.400 1 886 94 94 ALA N N 133.294 0.400 1 887 95 95 SER H H 8.130 0.020 1 888 95 95 SER HA H 5.248 0.020 1 889 95 95 SER HB2 H 3.528 0.020 2 890 95 95 SER HB3 H 3.660 0.020 2 891 95 95 SER C C 171.000 0.400 1 892 95 95 SER CA C 55.936 0.400 1 893 95 95 SER CB C 61.880 0.400 1 894 95 95 SER N N 113.404 0.400 1 895 96 96 TYR H H 8.402 0.020 1 896 96 96 TYR HA H 5.427 0.020 1 897 96 96 TYR HB2 H 3.052 0.020 2 898 96 96 TYR HB3 H 3.101 0.020 2 899 96 96 TYR HD1 H 7.075 0.020 1 900 96 96 TYR HD2 H 7.075 0.020 1 901 96 96 TYR HE1 H 6.954 0.020 1 902 96 96 TYR HE2 H 6.954 0.020 1 903 96 96 TYR C C 169.400 0.400 1 904 96 96 TYR CA C 54.735 0.400 1 905 96 96 TYR CB C 37.570 0.400 1 906 96 96 TYR N N 117.709 0.400 1 907 97 97 LYS H H 9.256 0.020 1 908 97 97 LYS HA H 5.311 0.020 1 909 97 97 LYS HB2 H 2.241 0.020 2 910 97 97 LYS HB3 H 2.241 0.020 2 911 97 97 LYS HD2 H 1.758 0.020 2 912 97 97 LYS HD3 H 1.758 0.020 2 913 97 97 LYS HE2 H 2.876 0.020 2 914 97 97 LYS HE3 H 2.876 0.020 2 915 97 97 LYS HG2 H 1.412 0.020 2 916 97 97 LYS HG3 H 1.412 0.020 2 917 97 97 LYS C C 172.700 0.400 1 918 97 97 LYS CA C 52.245 0.400 1 919 97 97 LYS CB C 34.100 0.400 1 920 97 97 LYS CD C 27.510 0.400 1 921 97 97 LYS CE C 39.410 0.400 1 922 97 97 LYS CG C 22.770 0.400 1 923 97 97 LYS N N 119.644 0.400 1 924 98 98 VAL H H 9.972 0.020 1 925 98 98 VAL HA H 5.056 0.020 1 926 98 98 VAL HB H 1.922 0.020 1 927 98 98 VAL HG1 H 0.921 0.020 2 928 98 98 VAL HG2 H 1.066 0.020 2 929 98 98 VAL C C 170.700 0.400 1 930 98 98 VAL CA C 58.794 0.400 1 931 98 98 VAL CB C 32.990 0.400 1 932 98 98 VAL CG1 C 19.740 0.400 1 933 98 98 VAL CG2 C 20.850 0.400 1 934 98 98 VAL N N 121.671 0.400 1 935 99 99 ALA H H 9.151 0.020 1 936 99 99 ALA HA H 5.639 0.020 1 937 99 99 ALA HB H 1.187 0.020 1 938 99 99 ALA C C 173.000 0.400 1 939 99 99 ALA CA C 46.505 0.400 1 940 99 99 ALA CB C 21.410 0.400 1 941 99 99 ALA N N 126.877 0.400 1 942 100 100 HIS H H 9.177 0.020 1 943 100 100 HIS HA H 5.888 0.020 1 944 100 100 HIS HB2 H 2.538 0.020 2 945 100 100 HIS HB3 H 3.077 0.020 2 946 100 100 HIS C C 170.500 0.400 1 947 100 100 HIS CA C 51.456 0.400 1 948 100 100 HIS CB C 31.090 0.400 1 949 100 100 HIS N N 116.756 0.400 1 950 101 101 SER H H 8.716 0.020 1 951 101 101 SER HA H 4.717 0.020 1 952 101 101 SER HB2 H 4.419 0.020 2 953 101 101 SER HB3 H 4.419 0.020 2 954 101 101 SER C C 171.400 0.400 1 955 101 101 SER CA C 54.580 0.400 1 956 101 101 SER CB C 61.560 0.400 1 957 101 101 SER N N 112.784 0.400 1 958 102 102 ASP H H 9.109 0.020 1 959 102 102 ASP HA H 5.124 0.020 1 960 102 102 ASP HB2 H 2.457 0.020 2 961 102 102 ASP HB3 H 2.630 0.020 2 962 102 102 ASP C C 173.400 0.400 1 963 102 102 ASP CA C 52.941 0.400 1 964 102 102 ASP CB C 39.560 0.400 1 965 102 102 ASP N N 126.000 0.400 1 966 103 103 ASP H H 7.977 0.020 1 967 103 103 ASP HA H 4.685 0.020 1 968 103 103 ASP HB2 H 2.427 0.020 2 969 103 103 ASP HB3 H 2.740 0.020 2 970 103 103 ASP C C 174.000 0.400 1 971 103 103 ASP CA C 50.520 0.400 1 972 103 103 ASP CB C 39.240 0.400 1 973 103 103 ASP N N 117.560 0.400 1 974 104 104 GLY H H 8.202 0.020 1 975 104 104 GLY HA2 H 2.950 0.020 2 976 104 104 GLY HA3 H 4.765 0.020 2 977 104 104 GLY C C 169.700 0.400 1 978 104 104 GLY CA C 41.570 0.400 1 979 104 104 GLY N N 112.191 0.400 1 980 105 105 VAL H H 7.967 0.020 1 981 105 105 VAL HA H 3.787 0.020 1 982 105 105 VAL HB H 1.588 0.020 1 983 105 105 VAL HG1 H 0.512 0.020 2 984 105 105 VAL HG2 H 0.703 0.020 2 985 105 105 VAL C C 172.400 0.400 1 986 105 105 VAL CA C 60.863 0.400 1 987 105 105 VAL CB C 31.560 0.400 1 988 105 105 VAL CG1 C 23.720 0.400 1 989 105 105 VAL CG2 C 23.720 0.400 1 990 105 105 VAL N N 121.200 0.400 1 991 106 106 GLN H H 8.892 0.020 1 992 106 106 GLN HA H 4.383 0.020 1 993 106 106 GLN HB2 H 1.849 0.020 2 994 106 106 GLN HB3 H 2.229 0.020 2 995 106 106 GLN HE21 H 7.405 0.020 2 996 106 106 GLN HE22 H 6.812 0.020 2 997 106 106 GLN HG2 H 2.062 0.020 2 998 106 106 GLN HG3 H 2.216 0.020 2 999 106 106 GLN C C 173.400 0.400 1 1000 106 106 GLN CA C 51.797 0.400 1 1001 106 106 GLN CB C 26.710 0.400 1 1002 106 106 GLN CG C 31.190 0.400 1 1003 106 106 GLN N N 120.997 0.400 1 1004 106 106 GLN NE2 N 111.810 0.400 1 1005 107 107 TRP H H 8.940 0.020 1 1006 107 107 TRP HA H 4.389 0.020 1 1007 107 107 TRP HB2 H 2.627 0.020 2 1008 107 107 TRP HB3 H 2.689 0.020 2 1009 107 107 TRP HD1 H 6.783 0.020 1 1010 107 107 TRP HE1 H 8.795 0.020 1 1011 107 107 TRP C C 172.600 0.400 1 1012 107 107 TRP CA C 54.435 0.400 1 1013 107 107 TRP CB C 28.700 0.400 1 1014 107 107 TRP N N 128.665 0.400 1 1015 107 107 TRP NE1 N 128.412 0.400 1 1016 108 108 THR H H 8.969 0.020 1 1017 108 108 THR HA H 4.188 0.020 1 1018 108 108 THR HB H 2.656 0.020 1 1019 108 108 THR HG2 H 0.823 0.020 1 1020 108 108 THR C C 170.500 0.400 1 1021 108 108 THR CA C 58.739 0.400 1 1022 108 108 THR CB C 67.771 0.400 1 1023 108 108 THR CG2 C 18.870 0.400 1 1024 108 108 THR N N 121.485 0.400 1 1025 109 109 VAL H H 8.724 0.020 1 1026 109 109 VAL HA H 4.155 0.020 1 1027 109 109 VAL HB H 1.873 0.020 1 1028 109 109 VAL HG1 H 0.863 0.020 2 1029 109 109 VAL HG2 H 1.015 0.020 2 1030 109 109 VAL C C 173.000 0.400 1 1031 109 109 VAL CA C 59.748 0.400 1 1032 109 109 VAL CB C 28.970 0.400 1 1033 109 109 VAL CG1 C 19.550 0.400 1 1034 109 109 VAL CG2 C 19.550 0.400 1 1035 109 109 VAL N N 128.082 0.400 1 1036 110 110 TYR H H 9.250 0.020 1 1037 110 110 TYR HA H 4.136 0.020 1 1038 110 110 TYR HB2 H 2.472 0.020 2 1039 110 110 TYR HB3 H 3.438 0.020 2 1040 110 110 TYR HD1 H 7.059 0.020 1 1041 110 110 TYR HD2 H 7.059 0.020 1 1042 110 110 TYR HE1 H 7.260 0.020 1 1043 110 110 TYR HE2 H 7.260 0.020 1 1044 110 110 TYR C C 172.100 0.400 1 1045 110 110 TYR CA C 57.742 0.400 1 1046 110 110 TYR CB C 36.040 0.400 1 1047 110 110 TYR N N 129.589 0.400 1 1048 111 111 GLU H H 7.530 0.020 1 1049 111 111 GLU HA H 4.583 0.020 1 1050 111 111 GLU HB2 H 1.482 0.020 2 1051 111 111 GLU HB3 H 1.518 0.020 2 1052 111 111 GLU HG2 H 1.649 0.020 2 1053 111 111 GLU HG3 H 2.184 0.020 2 1054 111 111 GLU C C 171.800 0.400 1 1055 111 111 GLU CA C 51.674 0.400 1 1056 111 111 GLU CB C 30.910 0.400 1 1057 111 111 GLU CG C 32.880 0.400 1 1058 111 111 GLU N N 128.658 0.400 1 1059 112 112 GLU H H 8.031 0.020 1 1060 112 112 GLU HA H 4.199 0.020 1 1061 112 112 GLU HB2 H 1.715 0.020 2 1062 112 112 GLU HB3 H 1.918 0.020 2 1063 112 112 GLU HG2 H 2.302 0.020 2 1064 112 112 GLU HG3 H 2.302 0.020 2 1065 112 112 GLU C C 173.200 0.400 1 1066 112 112 GLU CA C 53.330 0.400 1 1067 112 112 GLU CB C 31.370 0.400 1 1068 112 112 GLU CG C 34.820 0.400 1 1069 112 112 GLU N N 116.648 0.400 1 1070 113 113 GLN H H 9.371 0.020 1 1071 113 113 GLN HA H 3.805 0.020 1 1072 113 113 GLN HB2 H 1.990 0.020 2 1073 113 113 GLN HB3 H 1.990 0.020 2 1074 113 113 GLN HG2 H 2.252 0.020 2 1075 113 113 GLN HG3 H 2.252 0.020 2 1076 113 113 GLN C C 173.800 0.400 1 1077 113 113 GLN CA C 53.756 0.400 1 1078 113 113 GLN CB C 23.750 0.400 1 1079 113 113 GLN CG C 31.690 0.400 1 1080 113 113 GLN N N 120.054 0.400 1 1081 114 114 GLY H H 8.751 0.020 1 1082 114 114 GLY HA2 H 3.500 0.020 2 1083 114 114 GLY HA3 H 4.033 0.020 2 1084 114 114 GLY C C 171.300 0.400 1 1085 114 114 GLY CA C 42.851 0.400 1 1086 114 114 GLY N N 105.074 0.400 1 1087 115 115 SER H H 7.480 0.020 1 1088 115 115 SER HA H 4.688 0.020 1 1089 115 115 SER HB2 H 3.633 0.020 2 1090 115 115 SER HB3 H 3.700 0.020 2 1091 115 115 SER C C 170.700 0.400 1 1092 115 115 SER CA C 53.998 0.400 1 1093 115 115 SER CB C 62.940 0.400 1 1094 115 115 SER N N 113.391 0.400 1 1095 116 116 SER H H 8.617 0.020 1 1096 116 116 SER HA H 4.127 0.020 1 1097 116 116 SER HB2 H 3.633 0.020 2 1098 116 116 SER HB3 H 3.633 0.020 2 1099 116 116 SER C C 171.200 0.400 1 1100 116 116 SER CA C 56.520 0.400 1 1101 116 116 SER CB C 60.320 0.400 1 1102 116 116 SER N N 118.362 0.400 1 1103 117 117 LYS H H 8.395 0.020 1 1104 117 117 LYS HA H 4.115 0.020 1 1105 117 117 LYS HB2 H 1.285 0.020 2 1106 117 117 LYS HB3 H 1.765 0.020 2 1107 117 117 LYS HD2 H 0.306 0.020 2 1108 117 117 LYS HD3 H 0.306 0.020 2 1109 117 117 LYS HG2 H 0.024 0.020 2 1110 117 117 LYS HG3 H 0.024 0.020 2 1111 117 117 LYS C C 171.600 0.400 1 1112 117 117 LYS CA C 52.780 0.400 1 1113 117 117 LYS CB C 31.100 0.400 1 1114 117 117 LYS CD C 26.030 0.400 1 1115 117 117 LYS CE C 40.040 0.400 1 1116 117 117 LYS CG C 21.920 0.400 1 1117 117 117 LYS N N 127.630 0.400 1 1118 118 118 VAL H H 8.481 0.020 1 1119 118 118 VAL HA H 4.026 0.020 1 1120 118 118 VAL HB H 1.814 0.020 1 1121 118 118 VAL HG1 H 0.674 0.020 2 1122 118 118 VAL HG2 H 0.730 0.020 2 1123 118 118 VAL C C 173.300 0.400 1 1124 118 118 VAL CA C 59.010 0.400 1 1125 118 118 VAL CB C 28.040 0.400 1 1126 118 118 VAL CG1 C 19.610 0.400 1 1127 118 118 VAL CG2 C 19.610 0.400 1 1128 118 118 VAL N N 128.009 0.400 1 1129 119 119 PHE H H 9.196 0.020 1 1130 119 119 PHE HA H 3.954 0.020 1 1131 119 119 PHE HB2 H 1.361 0.020 2 1132 119 119 PHE HB3 H 2.211 0.020 2 1133 119 119 PHE HD1 H 7.084 0.020 1 1134 119 119 PHE HD2 H 7.084 0.020 1 1135 119 119 PHE HE1 H 7.277 0.020 1 1136 119 119 PHE HE2 H 7.277 0.020 1 1137 119 119 PHE C C 173.300 0.400 1 1138 119 119 PHE CA C 55.722 0.400 1 1139 119 119 PHE CB C 36.380 0.400 1 1140 119 119 PHE N N 128.434 0.400 1 1141 120 120 GLN H H 8.796 0.020 1 1142 120 120 GLN HA H 3.976 0.020 1 1143 120 120 GLN HB2 H 1.949 0.020 2 1144 120 120 GLN HB3 H 2.008 0.020 2 1145 120 120 GLN HG2 H 2.370 0.020 2 1146 120 120 GLN HG3 H 2.370 0.020 2 1147 120 120 GLN C C 172.300 0.400 1 1148 120 120 GLN CA C 53.315 0.400 1 1149 120 120 GLN CB C 25.950 0.400 1 1150 120 120 GLN CG C 31.320 0.400 1 1151 120 120 GLN N N 120.099 0.400 1 1152 121 121 GLY H H 7.960 0.020 1 1153 121 121 GLY HA2 H 3.186 0.020 2 1154 121 121 GLY HA3 H 4.616 0.020 2 1155 121 121 GLY C C 169.800 0.400 1 1156 121 121 GLY CA C 40.694 0.400 1 1157 121 121 GLY N N 112.842 0.400 1 1158 122 122 ASN H H 8.275 0.020 1 1159 122 122 ASN HA H 4.283 0.020 1 1160 122 122 ASN HB2 H 2.331 0.020 2 1161 122 122 ASN HB3 H 2.928 0.020 2 1162 122 122 ASN C C 169.100 0.400 1 1163 122 122 ASN CA C 53.320 0.400 1 1164 122 122 ASN CB C 40.400 0.400 1 1165 122 122 ASN N N 120.078 0.400 1 1166 123 123 LEU H H 8.417 0.020 1 1167 123 123 LEU HA H 3.850 0.020 1 1168 123 123 LEU HB2 H 1.389 0.020 2 1169 123 123 LEU HB3 H 1.492 0.020 2 1170 123 123 LEU HD1 H 0.692 0.020 2 1171 123 123 LEU HD2 H 0.746 0.020 2 1172 123 123 LEU HG H 1.274 0.020 1 1173 123 123 LEU C C 172.100 0.400 1 1174 123 123 LEU CA C 51.502 0.400 1 1175 123 123 LEU CB C 41.520 0.400 1 1176 123 123 LEU CD1 C 21.980 0.400 1 1177 123 123 LEU CD2 C 23.900 0.400 1 1178 123 123 LEU CG C 23.900 0.400 1 1179 123 123 LEU N N 114.396 0.400 1 1180 124 124 ASP H H 6.771 0.020 1 1181 124 124 ASP HA H 3.976 0.020 1 1182 124 124 ASP HB2 H 2.759 0.020 2 1183 124 124 ASP HB3 H 2.832 0.020 2 1184 124 124 ASP C C 171.600 0.400 1 1185 124 124 ASP CA C 50.040 0.400 1 1186 124 124 ASP CB C 37.480 0.400 1 1187 124 124 ASP N N 115.659 0.400 1 1188 125 125 ASN H H 8.637 0.020 1 1189 125 125 ASN HA H 4.495 0.020 1 1190 125 125 ASN HB2 H 2.466 0.020 2 1191 125 125 ASN HB3 H 2.416 0.020 2 1192 125 125 ASN HD21 H 6.834 0.020 2 1193 125 125 ASN HD22 H 7.341 0.020 2 1194 125 125 ASN C C 170.400 0.400 1 1195 125 125 ASN CB C 35.840 0.400 1 1196 125 125 ASN N N 106.883 0.400 1 1197 125 125 ASN ND2 N 113.800 0.400 1 1198 126 126 ASN H H 7.783 0.020 1 1199 126 126 ASN HA H 5.084 0.020 1 1200 126 126 ASN HB2 H 2.511 0.020 2 1201 126 126 ASN HB3 H 2.663 0.020 2 1202 126 126 ASN HD21 H 6.853 0.020 2 1203 126 126 ASN HD22 H 7.516 0.020 2 1204 126 126 ASN C C 174.900 0.400 1 1205 126 126 ASN CA C 50.433 0.400 1 1206 126 126 ASN CB C 39.790 0.400 1 1207 126 126 ASN N N 113.400 0.400 1 1208 126 126 ASN ND2 N 114.300 0.400 1 1209 127 127 SER H H 9.296 0.020 1 1210 127 127 SER HA H 3.972 0.020 1 1211 127 127 SER HB2 H 3.697 0.020 2 1212 127 127 SER HB3 H 3.697 0.020 2 1213 127 127 SER C C 171.600 0.400 1 1214 127 127 SER CA C 58.374 0.400 1 1215 127 127 SER CB C 58.515 0.400 1 1216 127 127 SER N N 121.403 0.400 1 1217 128 128 HIS H H 9.011 0.020 1 1218 128 128 HIS HA H 4.509 0.020 1 1219 128 128 HIS HB2 H 2.643 0.020 2 1220 128 128 HIS HB3 H 2.980 0.020 2 1221 128 128 HIS HD1 H 6.658 0.020 1 1222 128 128 HIS C C 174.000 0.400 1 1223 128 128 HIS CA C 52.281 0.400 1 1224 128 128 HIS CB C 29.690 0.400 1 1225 128 128 HIS N N 122.914 0.400 1 1226 128 128 HIS ND1 N 122.900 0.400 1 1227 129 129 LYS H H 8.282 0.020 1 1228 129 129 LYS HA H 4.723 0.020 1 1229 129 129 LYS HB2 H 1.718 0.020 2 1230 129 129 LYS HB3 H 1.730 0.020 2 1231 129 129 LYS HD2 H 1.430 0.020 2 1232 129 129 LYS HD3 H 1.430 0.020 2 1233 129 129 LYS HE2 H 2.952 0.020 2 1234 129 129 LYS HE3 H 2.952 0.020 2 1235 129 129 LYS HG2 H 1.276 0.020 2 1236 129 129 LYS HG3 H 1.276 0.020 2 1237 129 129 LYS C C 171.800 0.400 1 1238 129 129 LYS CB C 30.920 0.400 1 1239 129 129 LYS CD C 26.250 0.400 1 1240 129 129 LYS CE C 39.320 0.400 1 1241 129 129 LYS CG C 21.710 0.400 1 1242 129 129 LYS N N 122.465 0.400 1 1243 130 130 LYS H H 9.318 0.020 1 1244 130 130 LYS HA H 5.079 0.020 1 1245 130 130 LYS HB2 H 1.728 0.020 2 1246 130 130 LYS HB3 H 1.728 0.020 2 1247 130 130 LYS HE2 H 2.844 0.020 2 1248 130 130 LYS HE3 H 2.844 0.020 2 1249 130 130 LYS HG2 H 1.046 0.020 2 1250 130 130 LYS HG3 H 1.446 0.020 2 1251 130 130 LYS C C 172.100 0.400 1 1252 130 130 LYS CA C 51.820 0.400 1 1253 130 130 LYS CB C 31.150 0.400 1 1254 130 130 LYS CE C 40.380 0.400 1 1255 130 130 LYS CG C 20.870 0.400 1 1256 130 130 LYS N N 134.203 0.400 1 1257 131 131 ASN H H 9.104 0.020 1 1258 131 131 ASN HA H 5.051 0.020 1 1259 131 131 ASN HB2 H 2.006 0.020 2 1260 131 131 ASN HB3 H 2.289 0.020 2 1261 131 131 ASN C C 169.700 0.400 1 1262 131 131 ASN CA C 46.638 0.400 1 1263 131 131 ASN CB C 40.440 0.400 1 1264 131 131 ASN N N 124.515 0.400 1 1265 132 132 ILE H H 8.527 0.020 1 1266 132 132 ILE HA H 4.182 0.020 1 1267 132 132 ILE HB H 1.766 0.020 1 1268 132 132 ILE HD1 H 0.657 0.020 1 1269 132 132 ILE HG12 H 1.079 0.020 2 1270 132 132 ILE HG13 H 1.210 0.020 2 1271 132 132 ILE HG2 H 0.723 0.020 1 1272 132 132 ILE C C 173.500 0.400 1 1273 132 132 ILE CA C 55.580 0.400 1 1274 132 132 ILE CB C 36.220 0.400 1 1275 132 132 ILE CD1 C 8.325 0.400 1 1276 132 132 ILE CG1 C 24.250 0.400 1 1277 132 132 ILE CG2 C 14.760 0.400 1 1278 132 132 ILE N N 120.215 0.400 1 1279 133 133 PHE H H 7.929 0.020 1 1280 133 133 PHE HA H 4.741 0.020 1 1281 133 133 PHE HB2 H 2.418 0.020 2 1282 133 133 PHE HB3 H 3.190 0.020 2 1283 133 133 PHE HD1 H 7.127 0.020 1 1284 133 133 PHE HD2 H 7.127 0.020 1 1285 133 133 PHE HE1 H 6.886 0.020 1 1286 133 133 PHE HE2 H 6.886 0.020 1 1287 133 133 PHE C C 173.100 0.400 1 1288 133 133 PHE CA C 52.434 0.400 1 1289 133 133 PHE CB C 34.550 0.400 1 1290 133 133 PHE N N 126.445 0.400 1 1291 134 134 GLU H H 8.538 0.020 1 1292 134 134 GLU HA H 4.066 0.020 1 1293 134 134 GLU HB2 H 2.066 0.020 2 1294 134 134 GLU HB3 H 2.066 0.020 2 1295 134 134 GLU HG2 H 2.377 0.020 2 1296 134 134 GLU HG3 H 2.377 0.020 2 1297 134 134 GLU C C 174.100 0.400 1 1298 134 134 GLU CA C 56.440 0.400 1 1299 134 134 GLU CB C 27.110 0.400 1 1300 134 134 GLU CG C 33.810 0.400 1 1301 134 134 GLU N N 125.166 0.400 1 1302 135 135 LYS H H 7.819 0.020 1 1303 135 135 LYS HA H 4.872 0.020 1 1304 135 135 LYS HB2 H 1.925 0.020 2 1305 135 135 LYS HB3 H 1.925 0.020 2 1306 135 135 LYS HD2 H 1.740 0.020 2 1307 135 135 LYS HD3 H 1.740 0.020 2 1308 135 135 LYS HE2 H 3.179 0.020 2 1309 135 135 LYS HE3 H 3.179 0.020 2 1310 135 135 LYS HG2 H 1.435 0.020 2 1311 135 135 LYS HG3 H 1.435 0.020 2 1312 135 135 LYS C C 174.400 0.400 1 1313 135 135 LYS CB C 30.255 0.400 1 1314 135 135 LYS CE C 40.380 0.400 1 1315 135 135 LYS CG C 20.870 0.400 1 1316 135 135 LYS N N 116.343 0.400 1 1317 136 136 PRO HA H 4.279 0.020 1 1318 136 136 PRO HB3 H 2.165 0.020 2 1319 136 136 PRO HD2 H 3.762 0.020 2 1320 136 136 PRO HD3 H 3.762 0.020 2 1321 136 136 PRO HG2 H 1.583 0.020 2 1322 136 136 PRO HG3 H 1.583 0.020 2 1323 136 136 PRO C C 172.100 0.400 1 1324 136 136 PRO CA C 61.117 0.400 1 1325 136 136 PRO CB C 30.550 0.400 1 1326 136 136 PRO CD C 49.130 0.400 1 1327 136 136 PRO CG C 25.590 0.400 1 1328 137 137 PHE H H 6.972 0.020 1 1329 137 137 PHE HA H 5.053 0.020 1 1330 137 137 PHE HB2 H 2.464 0.020 2 1331 137 137 PHE HB3 H 2.849 0.020 2 1332 137 137 PHE HD1 H 7.277 0.020 1 1333 137 137 PHE HD2 H 7.277 0.020 1 1334 137 137 PHE HE1 H 7.248 0.020 1 1335 137 137 PHE HE2 H 7.248 0.020 1 1336 137 137 PHE C C 170.000 0.400 1 1337 137 137 PHE CA C 50.580 0.400 1 1338 137 137 PHE CB C 38.600 0.400 1 1339 137 137 PHE N N 115.505 0.400 1 1340 138 138 MET H H 8.376 0.020 1 1341 138 138 MET HA H 5.430 0.020 1 1342 138 138 MET HB2 H 1.645 0.020 2 1343 138 138 MET HB3 H 1.900 0.020 2 1344 138 138 MET HG2 H 2.425 0.020 2 1345 138 138 MET HG3 H 2.425 0.020 2 1346 138 138 MET C C 173.800 0.400 1 1347 138 138 MET CA C 49.449 0.400 1 1348 138 138 MET CB C 29.160 0.400 1 1349 138 138 MET N N 118.494 0.400 1 1350 139 139 ALA H H 9.141 0.020 1 1351 139 139 ALA HA H 4.890 0.020 1 1352 139 139 ALA HB H 1.606 0.020 1 1353 139 139 ALA C C 172.500 0.400 1 1354 139 139 ALA CA C 49.693 0.400 1 1355 139 139 ALA CB C 21.790 0.400 1 1356 139 139 ALA N N 124.103 0.400 1 1357 140 140 ARG H H 7.585 0.020 1 1358 140 140 ARG HA H 4.725 0.020 1 1359 140 140 ARG HB2 H 1.420 0.020 2 1360 140 140 ARG HB3 H 1.420 0.020 2 1361 140 140 ARG HD2 H 2.808 0.020 2 1362 140 140 ARG HD3 H 2.808 0.020 2 1363 140 140 ARG HE H 8.367 0.020 1 1364 140 140 ARG HG2 H 1.140 0.020 2 1365 140 140 ARG HG3 H 1.140 0.020 2 1366 140 140 ARG C C 169.900 0.400 1 1367 140 140 ARG CB C 29.440 0.400 1 1368 140 140 ARG CD C 40.530 0.400 1 1369 140 140 ARG CG C 24.880 0.400 1 1370 140 140 ARG N N 118.469 0.400 1 1371 140 140 ARG NE N 126.808 0.400 1 1372 141 141 TYR H H 8.703 0.020 1 1373 141 141 TYR HA H 5.771 0.020 1 1374 141 141 TYR HB2 H 2.510 0.020 2 1375 141 141 TYR HB3 H 2.805 0.020 2 1376 141 141 TYR C C 173.500 0.400 1 1377 141 141 TYR CA C 52.569 0.400 1 1378 141 141 TYR CB C 40.260 0.400 1 1379 141 141 TYR N N 114.631 0.400 1 1380 142 142 VAL H H 9.031 0.020 1 1381 142 142 VAL HA H 5.144 0.020 1 1382 142 142 VAL HB H 1.861 0.020 1 1383 142 142 VAL HG1 H 1.101 0.020 2 1384 142 142 VAL HG2 H 1.101 0.020 2 1385 142 142 VAL C C 171.700 0.400 1 1386 142 142 VAL CA C 58.418 0.400 1 1387 142 142 VAL CB C 33.780 0.400 1 1388 142 142 VAL CG1 C 19.180 0.400 1 1389 142 142 VAL CG2 C 20.130 0.400 1 1390 142 142 VAL N N 120.372 0.400 1 1391 143 143 ARG H H 9.600 0.020 1 1392 143 143 ARG HA H 5.668 0.020 1 1393 143 143 ARG HB2 H 1.025 0.020 2 1394 143 143 ARG HB3 H 1.025 0.020 2 1395 143 143 ARG HD2 H 0.922 0.020 2 1396 143 143 ARG HD3 H 0.922 0.020 2 1397 143 143 ARG HG2 H 0.890 0.020 2 1398 143 143 ARG HG3 H 0.890 0.020 2 1399 143 143 ARG C C 172.400 0.400 1 1400 143 143 ARG CA C 51.478 0.400 1 1401 143 143 ARG CB C 33.060 0.400 1 1402 143 143 ARG CD C 39.220 0.400 1 1403 143 143 ARG CG C 25.730 0.400 1 1404 143 143 ARG N N 125.183 0.400 1 1405 144 144 VAL H H 8.713 0.020 1 1406 144 144 VAL HA H 4.316 0.020 1 1407 144 144 VAL HB H 1.728 0.020 1 1408 144 144 VAL HG1 H 0.597 0.020 2 1409 144 144 VAL HG2 H 0.711 0.020 2 1410 144 144 VAL C C 171.800 0.400 1 1411 144 144 VAL CA C 59.730 0.400 1 1412 144 144 VAL CB C 30.240 0.400 1 1413 144 144 VAL CG1 C 18.340 0.400 1 1414 144 144 VAL CG2 C 19.280 0.400 1 1415 144 144 VAL N N 121.172 0.400 1 1416 145 145 LEU H H 8.806 0.020 1 1417 145 145 LEU HA H 4.262 0.020 1 1418 145 145 LEU HB2 H 1.459 0.020 2 1419 145 145 LEU HB3 H 1.459 0.020 2 1420 145 145 LEU HD1 H 1.023 0.020 2 1421 145 145 LEU HD2 H 1.023 0.020 2 1422 145 145 LEU HG H 1.124 0.020 1 1423 145 145 LEU C C 172.000 0.400 1 1424 145 145 LEU CB C 37.760 0.400 1 1425 145 145 LEU CD1 C 21.980 0.400 1 1426 145 145 LEU CD2 C 23.910 0.400 1 1427 145 145 LEU CG C 23.910 0.400 1 1428 145 145 LEU N N 127.200 0.400 1 1429 146 146 PRO HA H 4.465 0.020 1 1430 146 146 PRO HB2 H 1.404 0.020 2 1431 146 146 PRO HB3 H 2.247 0.020 2 1432 146 146 PRO HD2 H 3.442 0.020 2 1433 146 146 PRO HD3 H 3.442 0.020 2 1434 146 146 PRO HG2 H 2.299 0.020 2 1435 146 146 PRO HG3 H 2.299 0.020 2 1436 146 146 PRO C C 173.000 0.400 1 1437 146 146 PRO CA C 61.286 0.400 1 1438 146 146 PRO CB C 30.337 0.400 1 1439 146 146 PRO CD C 44.070 0.400 1 1440 146 146 PRO CG C 21.290 0.400 1 1441 147 147 VAL H H 9.068 0.020 1 1442 147 147 VAL HA H 4.258 0.020 1 1443 147 147 VAL HB H 1.920 0.020 1 1444 147 147 VAL HG1 H 0.771 0.020 2 1445 147 147 VAL HG2 H 1.085 0.020 2 1446 147 147 VAL C C 172.000 0.400 1 1447 147 147 VAL CA C 61.066 0.400 1 1448 147 147 VAL CB C 30.460 0.400 1 1449 147 147 VAL CG1 C 21.710 0.400 1 1450 147 147 VAL CG2 C 21.710 0.400 1 1451 147 147 VAL N N 124.084 0.400 1 1452 148 148 SER H H 7.938 0.020 1 1453 148 148 SER HA H 3.739 0.020 1 1454 148 148 SER HB2 H 3.451 0.020 2 1455 148 148 SER HB3 H 3.553 0.020 2 1456 148 148 SER C C 171.400 0.400 1 1457 148 148 SER CA C 54.550 0.400 1 1458 148 148 SER CB C 63.030 0.400 1 1459 148 148 SER N N 111.753 0.400 1 1460 149 149 TRP H H 7.892 0.020 1 1461 149 149 TRP HA H 5.182 0.020 1 1462 149 149 TRP HB2 H 2.788 0.020 2 1463 149 149 TRP HB3 H 3.277 0.020 2 1464 149 149 TRP HD1 H 6.787 0.020 1 1465 149 149 TRP HE1 H 9.878 0.020 1 1466 149 149 TRP HZ3 H 6.437 0.020 1 1467 149 149 TRP C C 169.600 0.400 1 1468 149 149 TRP CA C 53.821 0.400 1 1469 149 149 TRP N N 118.600 0.400 1 1470 149 149 TRP NE1 N 129.878 0.400 1 1471 150 150 HIS H H 8.913 0.020 1 1472 150 150 HIS HA H 5.220 0.020 1 1473 150 150 HIS HB2 H 2.824 0.020 2 1474 150 150 HIS HB3 H 2.824 0.020 2 1475 150 150 HIS C C 171.400 0.400 1 1476 150 150 HIS CA C 52.380 0.400 1 1477 150 150 HIS CB C 27.232 0.400 1 1478 150 150 HIS N N 120.300 0.400 1 1479 151 151 ASN HA H 3.809 0.020 1 1480 151 151 ASN HB2 H 2.490 0.020 2 1481 151 151 ASN HB3 H 3.446 0.020 2 1482 151 151 ASN C C 172.800 0.400 1 1483 151 151 ASN CA C 55.790 0.400 1 1484 151 151 ASN CB C 33.860 0.400 1 1485 151 151 ASN N N 126.500 0.400 1 1486 152 152 ARG H H 8.860 0.020 1 1487 152 152 ARG HA H 4.284 0.020 1 1488 152 152 ARG HB2 H 0.852 0.020 2 1489 152 152 ARG HB3 H 1.054 0.020 2 1490 152 152 ARG HD2 H 2.852 0.020 2 1491 152 152 ARG HE H 6.447 0.020 1 1492 152 152 ARG C C 170.500 0.400 1 1493 152 152 ARG CA C 52.088 0.400 1 1494 152 152 ARG CB C 32.910 0.400 1 1495 152 152 ARG CD C 40.270 0.400 1 1496 152 152 ARG CG C 25.620 0.400 1 1497 152 152 ARG N N 120.350 0.400 1 1498 152 152 ARG NE N 124.900 0.400 1 1499 153 153 ILE H H 6.466 0.020 1 1500 153 153 ILE HA H 3.088 0.020 1 1501 153 153 ILE HB H 1.365 0.020 1 1502 153 153 ILE HD1 H -0.051 0.020 1 1503 153 153 ILE HG12 H 0.351 0.020 2 1504 153 153 ILE HG13 H 0.976 0.020 2 1505 153 153 ILE HG2 H 0.789 0.020 1 1506 153 153 ILE C C 169.100 0.400 1 1507 153 153 ILE CA C 59.201 0.400 1 1508 153 153 ILE CB C 34.630 0.400 1 1509 153 153 ILE CD1 C 11.390 0.400 1 1510 153 153 ILE CG1 C 25.250 0.400 1 1511 153 153 ILE CG2 C 22.240 0.400 1 1512 153 153 ILE N N 117.167 0.400 1 1513 154 154 THR H H 5.973 0.020 1 1514 154 154 THR HA H 5.244 0.020 1 1515 154 154 THR HB H 2.945 0.020 1 1516 154 154 THR HG2 H 0.796 0.020 1 1517 154 154 THR C C 170.200 0.400 1 1518 154 154 THR CA C 58.022 0.400 1 1519 154 154 THR CB C 69.615 0.400 1 1520 154 154 THR CG2 C 22.350 0.400 1 1521 154 154 THR N N 126.785 0.400 1 1522 155 155 LEU H H 9.256 0.020 1 1523 155 155 LEU HA H 3.676 0.020 1 1524 155 155 LEU HB2 H 1.712 0.020 2 1525 155 155 LEU HB3 H 1.755 0.020 2 1526 155 155 LEU HD1 H 0.512 0.020 2 1527 155 155 LEU HD2 H 0.679 0.020 2 1528 155 155 LEU HG H 0.991 0.020 1 1529 155 155 LEU C C 172.600 0.400 1 1530 155 155 LEU CA C 51.640 0.400 1 1531 155 155 LEU CB C 47.818 0.400 1 1532 155 155 LEU CD1 C 23.400 0.400 1 1533 155 155 LEU CD2 C 22.660 0.400 1 1534 155 155 LEU CG C 25.030 0.400 1 1535 155 155 LEU N N 123.766 0.400 1 1536 156 156 ARG H H 8.576 0.020 1 1537 156 156 ARG HA H 3.825 0.020 1 1538 156 156 ARG HB2 H 1.947 0.020 2 1539 156 156 ARG HB3 H 1.947 0.020 2 1540 156 156 ARG HD2 H 3.142 0.020 2 1541 156 156 ARG HD3 H 3.142 0.020 2 1542 156 156 ARG HG2 H 1.505 0.020 2 1543 156 156 ARG HG3 H 1.505 0.020 2 1544 156 156 ARG C C 172.200 0.400 1 1545 156 156 ARG CA C 54.072 0.400 1 1546 156 156 ARG CD C 41.850 0.400 1 1547 156 156 ARG CG C 26.040 0.400 1 1548 156 156 ARG N N 120.868 0.400 1 1549 157 157 LEU H H 7.712 0.020 1 1550 157 157 LEU HA H 5.327 0.020 1 1551 157 157 LEU HB2 H 1.709 0.020 2 1552 157 157 LEU HB3 H 1.709 0.020 2 1553 157 157 LEU HD1 H 0.704 0.020 2 1554 157 157 LEU HD2 H 0.884 0.020 2 1555 157 157 LEU HG H 1.330 0.020 1 1556 157 157 LEU C C 172.800 0.400 1 1557 157 157 LEU CA C 52.052 0.400 1 1558 157 157 LEU CB C 45.176 0.400 1 1559 157 157 LEU CD1 C 21.670 0.400 1 1560 157 157 LEU CD2 C 23.910 0.400 1 1561 157 157 LEU CG C 27.330 0.400 1 1562 157 157 LEU N N 120.466 0.400 1 1563 158 158 GLU H H 8.878 0.020 1 1564 158 158 GLU HA H 4.720 0.020 1 1565 158 158 GLU HB2 H 1.848 0.020 2 1566 158 158 GLU HB3 H 1.848 0.020 2 1567 158 158 GLU HG2 H 2.486 0.020 2 1568 158 158 GLU HG3 H 2.486 0.020 2 1569 158 158 GLU C C 171.400 0.400 1 1570 158 158 GLU CA C 52.440 0.400 1 1571 158 158 GLU CB C 33.990 0.400 1 1572 158 158 GLU CG C 33.900 0.400 1 1573 158 158 GLU N N 120.100 0.400 1 1574 159 159 LEU H H 9.110 0.020 1 1575 159 159 LEU HA H 5.048 0.020 1 1576 159 159 LEU HB2 H 1.513 0.020 2 1577 159 159 LEU HB3 H 1.513 0.020 2 1578 159 159 LEU HD1 H 0.869 0.020 2 1579 159 159 LEU HD2 H 1.009 0.020 2 1580 159 159 LEU HG H 1.418 0.020 1 1581 159 159 LEU C C 170.900 0.400 1 1582 159 159 LEU CB C 44.250 0.400 1 1583 159 159 LEU CD1 C 20.770 0.400 1 1584 159 159 LEU CD2 C 23.720 0.400 1 1585 159 159 LEU CG C 24.470 0.400 1 1586 159 159 LEU N N 126.137 0.400 1 1587 160 160 LEU H H 8.012 0.020 1 1588 160 160 LEU HA H 5.091 0.020 1 1589 160 160 LEU HB2 H 1.020 0.020 2 1590 160 160 LEU HB3 H 1.030 0.020 2 1591 160 160 LEU HD1 H 0.470 0.020 2 1592 160 160 LEU HD2 H 0.711 0.020 2 1593 160 160 LEU HG H 0.678 0.020 1 1594 160 160 LEU C C 173.900 0.400 1 1595 160 160 LEU CA C 48.980 0.400 1 1596 160 160 LEU CB C 41.670 0.400 1 1597 160 160 LEU CD1 C 18.740 0.400 1 1598 160 160 LEU CD2 C 22.290 0.400 1 1599 160 160 LEU CG C 25.030 0.400 1 1600 160 160 LEU N N 120.135 0.400 1 1601 161 161 GLY H H 8.991 0.020 1 1602 161 161 GLY HA2 H 4.284 0.020 2 1603 161 161 GLY HA3 H 4.530 0.020 2 1604 161 161 GLY C C 169.500 0.400 1 1605 161 161 GLY CA C 44.547 0.400 1 1606 161 161 GLY N N 108.225 0.400 1 1607 162 162 CYS H H 8.206 0.020 1 1608 162 162 CYS HA H 5.051 0.020 1 1609 162 162 CYS HB2 H 2.927 0.020 2 1610 162 162 CYS HB3 H 3.197 0.020 2 1611 162 162 CYS C C 171.700 0.400 1 1612 162 162 CYS CA C 52.092 0.400 1 1613 162 162 CYS CB C 39.080 0.400 1 1614 162 162 CYS N N 116.305 0.400 1 1615 163 163 LEU H H 8.507 0.020 1 1616 163 163 LEU HA H 4.225 0.020 1 1617 163 163 LEU HB2 H 1.373 0.020 2 1618 163 163 LEU HB3 H 1.400 0.020 2 1619 163 163 LEU HD1 H 0.735 0.020 2 1620 163 163 LEU HD2 H 0.736 0.020 2 1621 163 163 LEU HG H 1.294 0.020 1 1622 163 163 LEU C C 173.600 0.400 1 1623 163 163 LEU CA C 52.354 0.400 1 1624 163 163 LEU CB C 40.270 0.400 1 1625 163 163 LEU CD1 C 19.240 0.400 1 1626 163 163 LEU CD2 C 22.020 0.400 1 1627 163 163 LEU CG C 24.720 0.400 1 1628 163 163 LEU N N 124.937 0.400 1 1629 164 164 GLU H H 8.158 0.020 1 1630 164 164 GLU HA H 4.702 0.020 1 1631 164 164 GLU HB2 H 1.747 0.020 2 1632 164 164 GLU HB3 H 1.747 0.020 2 1633 164 164 GLU HG2 H 1.961 0.020 2 1634 164 164 GLU HG3 H 2.227 0.020 2 1635 164 164 GLU C C 173.800 0.400 1 1636 164 164 GLU CB C 27.780 0.400 1 1637 164 164 GLU CG C 31.390 0.400 1 1638 164 164 GLU N N 120.971 0.400 1 stop_ save_