data_11041 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of domains 3 and 4 of human ATP7B ; _BMRB_accession_number 11041 _BMRB_flat_file_name bmr11041.str _Entry_type original _Submission_date 2008-04-04 _Accession_date 2008-04-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The construct investigated consists of domains 3 and 4 of the soluble N-terminal tail of ATP7B and of a inter-domain linker of 31 aa being essentially in a random coil form. The two domains reorient in solution independently of one another and the coordinates of the linker has not been submitted ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Cantini Francesca . . 4 Rosenzweig Amy C. . 5 Yatsunyk Liliya A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 937 "13C chemical shifts" 681 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-29 update BMRB 'complete entry citation' 2008-06-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Metal Binding Domains 3 and 4 of the Wilson Disease Protein: Solution Structure and Interaction with the Copper(I) Chaperone HAH1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18558714 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Cantini Francesca . . 4 Rosenzweig Amy C. . 5 Yatsunyk Liliya A. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7423 _Page_last 7429 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Human ATP7B' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'The third and fourth copper(I) binding soluble domains' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; This is the entire sequence as found in the NMR tube that comprise : the two domains, the inter-domain linker region and about 17 and 12 aa preceding and following the two folded domains at the N- and C termini: LSSANQNFNNSETLGHQGSH VVTLQLRIDGMHCKSCVLNI EENIGQLLGVQSIQVSLENK TAQVKYDPSCTSPVALQRAI EALPPGNFKVSLPDGAEGSG TDHRSSSSHSPGSPPRNQVQ GTCSTTLIAIAGMTCASCVH SIEGMISQLEGVQQISVSLA EGTATVLYNPAVISPEELRA AIEDMGFEASVVSESCSTNP LGNH ; save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'The third and fourth copper(I) binding soluble domains' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'copper(I) binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 204 _Mol_residue_sequence ; LSSANQNFNNSETLGHQGSH VVTLQLRIDGMHCKSCVLNI EENIGQLLGVQSIQVSLENK TAQVKYDPSCTSPVALQRAI EALPPGNFKVSLPDGAEGSG TDHRSSSSHSPGSPPRNQVQ GTCSTTLIAIAGMTCASCVH SIEGMISQLEGVQQISVSLA EGTATVLYNPAVISPEELRA AIEDMGFEASVVSESCSTNP LGNH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 LEU 2 0 SER 3 1 SER 4 2 ALA 5 3 ASN 6 4 GLN 7 5 ASN 8 6 PHE 9 7 ASN 10 8 ASN 11 9 SER 12 10 GLU 13 11 THR 14 12 LEU 15 13 GLY 16 14 HIS 17 15 GLN 18 16 GLY 19 17 SER 20 18 HIS 21 19 VAL 22 20 VAL 23 21 THR 24 22 LEU 25 23 GLN 26 24 LEU 27 25 ARG 28 26 ILE 29 27 ASP 30 28 GLY 31 29 MET 32 30 HIS 33 31 CYS 34 32 LYS 35 33 SER 36 34 CYS 37 35 VAL 38 36 LEU 39 37 ASN 40 38 ILE 41 39 GLU 42 40 GLU 43 41 ASN 44 42 ILE 45 43 GLY 46 44 GLN 47 45 LEU 48 46 LEU 49 47 GLY 50 48 VAL 51 49 GLN 52 50 SER 53 51 ILE 54 52 GLN 55 53 VAL 56 54 SER 57 55 LEU 58 56 GLU 59 57 ASN 60 58 LYS 61 59 THR 62 60 ALA 63 61 GLN 64 62 VAL 65 63 LYS 66 64 TYR 67 65 ASP 68 66 PRO 69 67 SER 70 68 CYS 71 69 THR 72 70 SER 73 71 PRO 74 72 VAL 75 73 ALA 76 74 LEU 77 75 GLN 78 76 ARG 79 77 ALA 80 78 ILE 81 79 GLU 82 80 ALA 83 81 LEU 84 82 PRO 85 83 PRO 86 84 GLY 87 85 ASN 88 86 PHE 89 87 LYS 90 88 VAL 91 89 SER 92 90 LEU 93 91 PRO 94 92 ASP 95 93 GLY 96 94 ALA 97 95 GLU 98 96 GLY 99 97 SER 100 98 GLY 101 99 THR 102 100 ASP 103 101 HIS 104 102 ARG 105 103 SER 106 104 SER 107 105 SER 108 106 SER 109 107 HIS 110 108 SER 111 109 PRO 112 110 GLY 113 111 SER 114 112 PRO 115 113 PRO 116 114 ARG 117 115 ASN 118 116 GLN 119 117 VAL 120 118 GLN 121 119 GLY 122 120 THR 123 121 CYS 124 122 SER 125 123 THR 126 124 THR 127 125 LEU 128 126 ILE 129 127 ALA 130 128 ILE 131 129 ALA 132 130 GLY 133 131 MET 134 132 THR 135 133 CYS 136 134 ALA 137 135 SER 138 136 CYS 139 137 VAL 140 138 HIS 141 139 SER 142 140 ILE 143 141 GLU 144 142 GLY 145 143 MET 146 144 ILE 147 145 SER 148 146 GLN 149 147 LEU 150 148 GLU 151 149 GLY 152 150 VAL 153 151 GLN 154 152 GLN 155 153 ILE 156 154 SER 157 155 VAL 158 156 SER 159 157 LEU 160 158 ALA 161 159 GLU 162 160 GLY 163 161 THR 164 162 ALA 165 163 THR 166 164 VAL 167 165 LEU 168 166 TYR 169 167 ASN 170 168 PRO 171 169 ALA 172 170 VAL 173 171 ILE 174 172 SER 175 173 PRO 176 174 GLU 177 175 GLU 178 176 LEU 179 177 ARG 180 178 ALA 181 179 ALA 182 180 ILE 183 181 GLU 184 182 ASP 185 183 MET 186 184 GLY 187 185 PHE 188 186 GLU 189 187 ALA 190 188 SER 191 189 VAL 192 190 VAL 193 191 SER 194 192 GLU 195 193 SER 196 194 CYS 197 195 SER 198 196 THR 199 197 ASN 200 198 PRO 201 199 LEU 202 200 GLY 203 201 ASN 204 202 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2ROP "Solution Structure Of Domains 3 And 4 Of Human Atp7b" 99.02 202 100.00 100.00 3.20e-143 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pET32Xa/LIC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 . mM 0.1 0.4 '[U-99% 13C; U-99% 15N]' 'Na Pi' 20 mM . . 'natural abundance' NaCl 150 mM . . 'natural abundance' H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 'Guntert, Mumenthaler and Wuthrich' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_R1_7 _Saveframe_category NMR_applied_experiment _Experiment_name R1 _Sample_label $sample_1 save_ save_R2_8 _Saveframe_category NMR_applied_experiment _Experiment_name R2 _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM Na Pi + 150 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.3 . 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 dioxane C 13 carbons ppm 69.3 . direct . . . 1.0 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_ _Experiment_label '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'The third and fourth copper(I) binding soluble domains' _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 10 12 GLU CA C 56.835 0.3 1 2 10 12 GLU CB C 29.924 0.3 1 3 10 12 GLU CG C 31.664 0.3 1 4 10 12 GLU H H 8.463 0.020 1 5 10 12 GLU HA H 4.338 0.020 1 6 10 12 GLU HB2 H 2.287 0.020 2 7 10 12 GLU HB3 H 2.002 0.020 2 8 10 12 GLU HG2 H 2.082 0.020 1 9 10 12 GLU HG3 H 2.082 0.020 1 10 10 12 GLU N N 122.420 0.3 1 11 11 13 THR C C 174.641 0.3 1 12 11 13 THR CA C 61.855 0.3 1 13 11 13 THR CB C 69.374 0.3 1 14 11 13 THR CG2 C 21.376 0.3 1 15 11 13 THR H H 8.119 0.020 1 16 11 13 THR HA H 4.305 0.020 1 17 11 13 THR HB H 4.400 0.020 1 18 11 13 THR N N 114.426 0.3 1 19 11 13 THR HG2 H 1.175 0.020 1 20 12 14 LEU C C 177.752 0.3 1 21 12 14 LEU CA C 55.281 0.3 1 22 12 14 LEU CB C 41.949 0.3 1 23 12 14 LEU CG C 26.850 0.3 1 24 12 14 LEU CD1 C 24.608 0.3 1 25 12 14 LEU CD2 C 23.244 0.3 1 26 12 14 LEU H H 8.178 0.020 1 27 12 14 LEU HA H 4.305 0.020 1 28 12 14 LEU HB2 H 1.649 0.020 1 29 12 14 LEU HB3 H 1.649 0.020 1 30 12 14 LEU HG H 1.618 0.020 1 31 12 14 LEU N N 124.126 0.3 1 32 12 14 LEU HD1 H 0.937 0.020 2 33 12 14 LEU HD2 H 0.839 0.020 2 34 13 15 GLY C C 173.958 0.3 1 35 13 15 GLY CA C 45.083 0.3 1 36 13 15 GLY H H 8.343 0.020 1 37 13 15 GLY HA2 H 3.958 0.020 2 38 13 15 GLY HA3 H 3.891 0.020 2 39 13 15 GLY N N 109.016 0.3 1 40 16 18 GLY CA C 45.176 0.3 1 41 16 18 GLY H H 8.505 0.020 1 42 16 18 GLY N N 110.208 0.3 1 43 18 20 HIS CA C 55.220 0.3 1 44 18 20 HIS CB C 29.373 0.3 1 45 18 20 HIS HA H 4.089 0.020 1 46 18 20 HIS HB2 H 4.090 0.020 1 47 18 20 HIS HB3 H 4.090 0.020 1 48 19 21 VAL C C 175.056 0.3 1 49 19 21 VAL CA C 61.200 0.3 1 50 19 21 VAL CB C 33.700 0.3 1 51 19 21 VAL CG1 C 21.100 0.3 1 52 19 21 VAL CG2 C 20.400 0.3 1 53 19 21 VAL H H 7.743 0.020 1 54 19 21 VAL HA H 4.296 0.020 1 55 19 21 VAL HB H 1.748 0.020 1 56 19 21 VAL N N 117.676 0.3 1 57 19 21 VAL HG1 H 0.656 0.020 2 58 19 21 VAL HG2 H 0.720 0.020 2 59 20 22 VAL C C 174.146 0.3 1 60 20 22 VAL CA C 60.200 0.3 1 61 20 22 VAL CB C 34.042 0.3 1 62 20 22 VAL CG1 C 21.488 0.3 1 63 20 22 VAL CG2 C 20.500 0.3 1 64 20 22 VAL H H 8.599 0.020 1 65 20 22 VAL HA H 4.215 0.020 1 66 20 22 VAL HB H 1.267 0.020 1 67 20 22 VAL N N 125.283 0.3 1 68 20 22 VAL HG1 H 0.856 0.020 2 69 20 22 VAL HG2 H 0.568 0.020 2 70 21 23 THR C C 173.354 0.3 1 71 21 23 THR CA C 61.516 0.3 1 72 21 23 THR CB C 69.300 0.3 1 73 21 23 THR CG2 C 21.250 0.3 1 74 21 23 THR H H 8.341 0.020 1 75 21 23 THR HA H 5.077 0.020 1 76 21 23 THR HB H 3.977 0.020 1 77 21 23 THR N N 118.200 0.3 1 78 21 23 THR HG2 H 1.060 0.020 1 79 22 24 LEU C C 173.472 0.3 1 80 22 24 LEU CA C 53.100 0.3 1 81 22 24 LEU CB C 47.100 0.3 1 82 22 24 LEU CG C 27.000 0.3 1 83 22 24 LEU CD1 C 24.700 0.3 1 84 22 24 LEU CD2 C 22.900 0.3 1 85 22 24 LEU H H 9.471 0.020 1 86 22 24 LEU HA H 4.791 0.020 1 87 22 24 LEU HB2 H 1.837 0.020 2 88 22 24 LEU HB3 H 1.715 0.020 2 89 22 24 LEU HG H 1.395 0.020 1 90 22 24 LEU N N 130.132 0.3 1 91 22 24 LEU HD1 H 0.714 0.020 2 92 22 24 LEU HD2 H 1.025 0.020 2 93 23 25 GLN C C 174.679 0.3 1 94 23 25 GLN CA C 53.700 0.3 1 95 23 25 GLN CB C 30.200 0.3 1 96 23 25 GLN CG C 33.600 0.3 1 97 23 25 GLN H H 8.597 0.020 1 98 23 25 GLN HA H 5.308 0.020 1 99 23 25 GLN HB2 H 2.030 0.020 2 100 23 25 GLN HB3 H 2.030 0.020 2 101 23 25 GLN HG2 H 2.230 0.020 1 102 23 25 GLN HG3 H 2.220 0.020 1 103 23 25 GLN HE21 H 6.909 0.020 1 104 23 25 GLN HE22 H 7.490 0.020 1 105 23 25 GLN N N 126.000 0.3 1 106 23 25 GLN NE2 N 111.014 0.3 1 107 24 26 LEU C C 175.665 0.3 1 108 24 26 LEU CA C 52.870 0.3 1 109 24 26 LEU CB C 44.800 0.3 1 110 24 26 LEU CG C 25.712 0.3 1 111 24 26 LEU CD1 C 24.160 0.3 1 112 24 26 LEU CD2 C 24.592 0.3 1 113 24 26 LEU H H 8.920 0.020 1 114 24 26 LEU HA H 4.410 0.020 1 115 24 26 LEU HB2 H 1.544 0.020 2 116 24 26 LEU HB3 H 1.361 0.020 2 117 24 26 LEU N N 121.704 0.3 1 118 24 26 LEU HD1 H 0.603 0.020 2 119 24 26 LEU HD2 H 0.720 0.020 2 120 25 27 ARG C C 175.390 0.3 1 121 25 27 ARG CA C 54.900 0.3 1 122 25 27 ARG CB C 31.100 0.3 1 123 25 27 ARG CG C 27.673 0.3 1 124 25 27 ARG CD C 42.947 0.3 1 125 25 27 ARG H H 8.086 0.020 1 126 25 27 ARG HA H 5.076 0.020 1 127 25 27 ARG HB2 H 1.907 0.020 2 128 25 27 ARG HB3 H 1.730 0.020 2 129 25 27 ARG HG2 H 1.530 0.020 1 130 25 27 ARG HG3 H 1.539 0.020 1 131 25 27 ARG HD2 H 3.270 0.020 2 132 25 27 ARG HD3 H 3.130 0.020 2 133 25 27 ARG N N 122.209 0.3 1 134 26 28 ILE C C 174.702 0.3 1 135 26 28 ILE CA C 60.244 0.3 1 136 26 28 ILE CB C 40.081 0.3 1 137 26 28 ILE CG1 C 27.000 0.3 1 138 26 28 ILE CG2 C 17.057 0.3 1 139 26 28 ILE CD1 C 14.625 0.3 1 140 26 28 ILE H H 8.285 0.020 1 141 26 28 ILE HA H 4.731 0.020 1 142 26 28 ILE HB H 1.454 0.020 1 143 26 28 ILE HG12 H 1.339 0.020 2 144 26 28 ILE HG13 H 0.778 0.020 2 145 26 28 ILE N N 123.684 0.3 1 146 26 28 ILE HG2 H 0.554 0.020 1 147 26 28 ILE HD1 H 0.620 0.020 1 148 27 29 ASP C C 176.124 0.3 1 149 27 29 ASP CA C 53.634 0.3 1 150 27 29 ASP CB C 43.600 0.3 1 151 27 29 ASP H H 9.270 0.020 1 152 27 29 ASP HA H 5.136 0.020 1 153 27 29 ASP HB2 H 2.802 0.020 2 154 27 29 ASP HB3 H 2.562 0.020 2 155 27 29 ASP N N 126.960 0.3 1 156 28 30 GLY CA C 45.000 0.3 1 157 28 30 GLY H H 8.475 0.020 1 158 28 30 GLY HA2 H 4.785 0.020 2 159 28 30 GLY HA3 H 3.622 0.020 2 160 28 30 GLY N N 107.670 0.3 1 161 29 31 MET CA C 60.186 0.3 1 162 29 31 MET CB C 33.095 0.3 1 163 29 31 MET CE C 16.095 0.3 1 164 29 31 MET H H 8.801 0.020 1 165 29 31 MET HA H 4.947 0.020 1 166 29 31 MET HB2 H 2.217 0.020 2 167 29 31 MET HB3 H 1.630 0.020 2 168 29 31 MET HG2 H 2.487 0.020 1 169 29 31 MET HG3 H 2.487 0.020 1 170 29 31 MET HE H 1.907 0.020 1 171 29 31 MET N N 119.341 0.3 1 172 31 33 CYS H H 8.711 0.020 1 173 31 33 CYS HA H 5.075 0.020 1 174 31 33 CYS HB2 H 3.185 0.020 2 175 31 33 CYS HB3 H 3.327 0.020 2 176 31 33 CYS N N 119.058 0.3 1 177 32 34 LYS HB2 H 1.920 0.020 1 178 32 34 LYS HB3 H 1.920 0.020 1 179 32 34 LYS HG2 H 1.560 0.020 1 180 32 34 LYS HG3 H 1.560 0.020 1 181 32 34 LYS HD2 H 1.750 0.020 1 182 33 35 SER CA C 59.647 0.3 1 183 33 35 SER CB C 64.642 0.3 1 184 33 35 SER H H 8.446 0.020 1 185 33 35 SER HA H 4.270 0.020 1 186 33 35 SER HB2 H 4.079 0.020 1 187 33 35 SER HB3 H 4.079 0.020 1 188 33 35 SER N N 115.511 0.3 1 189 34 36 CYS CA C 63.700 0.3 1 190 34 36 CYS CB C 29.100 0.3 1 191 34 36 CYS H H 7.762 0.020 1 192 34 36 CYS HA H 4.316 0.020 1 193 34 36 CYS HB2 H 3.158 0.020 2 194 34 36 CYS HB3 H 3.348 0.020 2 195 34 36 CYS N N 125.200 0.3 1 196 35 37 VAL C C 177.297 0.3 1 197 35 37 VAL CA C 66.248 0.3 1 198 35 37 VAL CB C 31.600 0.3 1 199 35 37 VAL CG1 C 23.200 0.3 1 200 35 37 VAL CG2 C 20.900 0.3 1 201 35 37 VAL H H 6.814 0.020 1 202 35 37 VAL HA H 3.187 0.020 1 203 35 37 VAL HB H 2.200 0.020 1 204 35 37 VAL N N 117.398 0.3 1 205 35 37 VAL HG1 H 1.045 0.020 2 206 35 37 VAL HG2 H 0.899 0.020 2 207 36 38 LEU C C 178.615 0.3 1 208 36 38 LEU CA C 57.500 0.3 1 209 36 38 LEU CB C 41.462 0.3 1 210 36 38 LEU CG C 26.816 0.3 1 211 36 38 LEU CD2 C 23.508 0.3 1 212 36 38 LEU H H 7.752 0.020 1 213 36 38 LEU HA H 4.098 0.020 1 214 36 38 LEU HB2 H 1.735 0.020 2 215 36 38 LEU HB3 H 1.668 0.020 2 216 36 38 LEU N N 117.700 0.3 1 217 36 38 LEU HD1 H 0.924 0.020 1 218 36 38 LEU HD2 H 0.924 0.020 1 219 37 39 ASN C C 177.977 0.3 1 220 37 39 ASN CA C 55.800 0.3 1 221 37 39 ASN CB C 38.765 0.3 1 222 37 39 ASN H H 7.894 0.020 1 223 37 39 ASN HA H 4.470 0.020 1 224 37 39 ASN HB2 H 3.305 0.020 2 225 37 39 ASN HB3 H 3.210 0.020 2 226 37 39 ASN HD21 H 7.002 0.020 1 227 37 39 ASN HD22 H 7.840 0.020 1 228 37 39 ASN N N 117.023 0.3 1 229 37 39 ASN ND2 N 108.630 0.3 1 230 38 40 ILE C C 177.769 0.3 1 231 38 40 ILE CA C 65.500 0.3 1 232 38 40 ILE CB C 38.100 0.3 1 233 38 40 ILE CG1 C 30.300 0.3 1 234 38 40 ILE CG2 C 17.527 0.3 1 235 38 40 ILE CD1 C 13.200 0.3 1 236 38 40 ILE H H 7.800 0.020 1 237 38 40 ILE HA H 3.470 0.020 1 238 38 40 ILE HB H 1.566 0.020 1 239 38 40 ILE HG12 H 1.580 0.020 2 240 38 40 ILE HG13 H 0.227 0.020 2 241 38 40 ILE N N 118.432 0.3 1 242 38 40 ILE HG2 H 0.497 0.020 1 243 38 40 ILE HD1 H -0.132 0.020 1 244 39 41 GLU C C 180.661 0.3 1 245 39 41 GLU CA C 60.014 0.3 1 246 39 41 GLU CB C 29.342 0.3 1 247 39 41 GLU CG C 37.731 0.3 1 248 39 41 GLU H H 8.888 0.020 1 249 39 41 GLU HA H 3.706 0.020 1 250 39 41 GLU HB2 H 2.120 0.020 2 251 39 41 GLU HB3 H 1.981 0.020 2 252 39 41 GLU HG2 H 2.585 0.020 1 253 39 41 GLU HG3 H 2.585 0.020 1 254 39 41 GLU N N 117.594 0.3 1 255 40 42 GLU C C 178.827 0.3 1 256 40 42 GLU CA C 59.084 0.3 1 257 40 42 GLU CB C 29.490 0.3 1 258 40 42 GLU CG C 36.184 0.3 1 259 40 42 GLU H H 8.998 0.020 1 260 40 42 GLU HA H 4.048 0.020 1 261 40 42 GLU HB2 H 2.209 0.020 2 262 40 42 GLU HB3 H 1.982 0.020 2 263 40 42 GLU HG2 H 2.230 0.020 2 264 40 42 GLU HG3 H 2.230 0.020 2 265 40 42 GLU N N 118.115 0.3 1 266 41 43 ASN C C 177.599 0.3 1 267 41 43 ASN CA C 57.093 0.3 1 268 41 43 ASN CB C 40.084 0.3 1 269 41 43 ASN H H 7.616 0.020 1 270 41 43 ASN HA H 4.520 0.020 1 271 41 43 ASN HB2 H 2.545 0.020 2 272 41 43 ASN HB3 H 2.865 0.020 2 273 41 43 ASN HD21 H 7.313 0.020 1 274 41 43 ASN HD22 H 8.459 0.020 1 275 41 43 ASN N N 113.619 0.3 1 276 41 43 ASN ND2 N 118.679 0.3 1 277 42 44 ILE C C 177.637 0.3 1 278 42 44 ILE CA C 59.679 0.3 1 279 42 44 ILE CB C 33.500 0.3 1 280 42 44 ILE CG1 C 28.585 0.3 1 281 42 44 ILE CG2 C 18.800 0.3 1 282 42 44 ILE CD1 C 8.400 0.3 1 283 42 44 ILE H H 8.787 0.020 1 284 42 44 ILE HA H 4.042 0.020 1 285 42 44 ILE HB H 2.288 0.020 1 286 42 44 ILE HG12 H 1.988 0.020 2 287 42 44 ILE HG13 H 1.053 0.020 2 288 42 44 ILE N N 119.348 0.3 1 289 42 44 ILE HG2 H 0.720 0.020 1 290 42 44 ILE HD1 H 0.586 0.020 1 291 43 45 GLY C C 173.759 0.3 1 292 43 45 GLY CA C 45.800 0.3 1 293 43 45 GLY H H 7.560 0.020 1 294 43 45 GLY HA2 H 3.910 0.020 2 295 43 45 GLY HA3 H 3.757 0.020 2 296 43 45 GLY N N 104.700 0.3 1 297 44 46 GLN C C 176.115 0.3 1 298 44 46 GLN CA C 54.800 0.3 1 299 44 46 GLN CB C 29.700 0.3 1 300 44 46 GLN CG C 33.680 0.3 1 301 44 46 GLN H H 6.709 0.020 1 302 44 46 GLN HA H 4.464 0.020 1 303 44 46 GLN HB2 H 2.323 0.020 2 304 44 46 GLN HB3 H 2.035 0.020 2 305 44 46 GLN HG2 H 2.531 0.020 2 306 44 46 GLN HG3 H 2.500 0.020 2 307 44 46 GLN HE21 H 6.892 0.020 1 308 44 46 GLN HE22 H 7.438 0.020 1 309 44 46 GLN N N 113.321 0.3 1 310 44 46 GLN NE2 N 112.015 0.3 1 311 45 47 LEU C C 177.481 0.3 1 312 45 47 LEU CA C 55.000 0.3 1 313 45 47 LEU CB C 42.048 0.3 1 314 45 47 LEU CG C 26.500 0.3 1 315 45 47 LEU CD1 C 24.820 0.3 1 316 45 47 LEU CD2 C 23.462 0.3 1 317 45 47 LEU H H 7.473 0.020 1 318 45 47 LEU HA H 4.192 0.020 1 319 45 47 LEU HB2 H 1.734 0.020 2 320 45 47 LEU HB3 H 1.640 0.020 2 321 45 47 LEU HG H 1.863 0.020 1 322 45 47 LEU N N 122.815 0.3 1 323 45 47 LEU HD1 H 0.908 0.020 1 324 46 48 LEU C C 177.098 0.3 1 325 46 48 LEU CA C 56.800 0.3 1 326 46 48 LEU CB C 41.400 0.3 1 327 46 48 LEU CG C 26.793 0.3 1 328 46 48 LEU CD1 C 25.053 0.3 1 329 46 48 LEU CD2 C 23.400 0.3 1 330 46 48 LEU H H 8.370 0.020 1 331 46 48 LEU HA H 4.101 0.020 1 332 46 48 LEU HB2 H 1.661 0.020 1 333 46 48 LEU HB3 H 1.661 0.020 1 334 46 48 LEU N N 126.383 0.3 1 335 46 48 LEU HD1 H 0.971 0.020 2 336 46 48 LEU HD2 H 0.992 0.020 2 337 47 49 GLY C C 174.333 0.3 1 338 47 49 GLY CA C 44.800 0.3 1 339 47 49 GLY H H 8.862 0.020 1 340 47 49 GLY HA2 H 4.375 0.020 2 341 47 49 GLY HA3 H 3.760 0.020 2 342 47 49 GLY N N 111.504 0.3 1 343 48 50 VAL C C 175.133 0.3 1 344 48 50 VAL CA C 63.500 0.3 1 345 48 50 VAL CB C 31.000 0.3 1 346 48 50 VAL CG1 C 21.330 0.3 1 347 48 50 VAL H H 7.957 0.020 1 348 48 50 VAL HA H 3.979 0.020 1 349 48 50 VAL HB H 2.353 0.020 1 350 48 50 VAL N N 121.497 0.3 1 351 48 50 VAL HG1 H 0.739 0.020 1 352 48 50 VAL HG2 H 0.739 0.020 1 353 49 51 GLN C C 176.332 0.3 1 354 49 51 GLN CA C 56.600 0.3 1 355 49 51 GLN CB C 29.400 0.3 1 356 49 51 GLN CG C 33.900 0.3 1 357 49 51 GLN H H 9.147 0.020 1 358 49 51 GLN HA H 4.325 0.020 1 359 49 51 GLN HB2 H 1.974 0.020 2 360 49 51 GLN HB3 H 1.794 0.020 2 361 49 51 GLN HG2 H 2.175 0.020 2 362 49 51 GLN HG3 H 2.332 0.020 2 363 49 51 GLN HE21 H 6.808 0.020 1 364 49 51 GLN HE22 H 7.355 0.020 1 365 49 51 GLN N N 129.372 0.3 1 366 49 51 GLN NE2 N 110.914 0.3 1 367 50 52 SER C C 171.980 0.3 1 368 50 52 SER CA C 57.190 0.3 1 369 50 52 SER CB C 64.700 0.3 1 370 50 52 SER H H 7.740 0.020 1 371 50 52 SER HA H 4.660 0.020 1 372 50 52 SER HB2 H 3.842 0.020 1 373 50 52 SER HB3 H 3.842 0.020 1 374 50 52 SER N N 109.484 0.3 1 375 51 53 ILE C C 171.721 0.3 1 376 51 53 ILE CA C 59.000 0.3 1 377 51 53 ILE CB C 40.400 0.3 1 378 51 53 ILE CG1 C 29.179 0.3 1 379 51 53 ILE CG2 C 14.736 0.3 1 380 51 53 ILE CD1 C 13.900 0.3 1 381 51 53 ILE H H 8.633 0.020 1 382 51 53 ILE HA H 5.199 0.020 1 383 51 53 ILE HB H 1.690 0.020 1 384 51 53 ILE HG12 H 1.350 0.020 2 385 51 53 ILE HG13 H 0.762 0.020 2 386 51 53 ILE N N 119.826 0.3 1 387 51 53 ILE HG2 H 0.947 0.020 1 388 51 53 ILE HD1 H 0.570 0.020 1 389 52 54 GLN C C 175.294 0.3 1 390 52 54 GLN CA C 54.000 0.3 1 391 52 54 GLN CB C 31.792 0.3 1 392 52 54 GLN CG C 33.697 0.3 1 393 52 54 GLN H H 8.258 0.020 1 394 52 54 GLN HA H 4.870 0.020 1 395 52 54 GLN HB2 H 1.984 0.020 2 396 52 54 GLN HB3 H 1.905 0.020 2 397 52 54 GLN HG2 H 2.315 0.020 2 398 52 54 GLN HG3 H 2.242 0.020 2 399 52 54 GLN HE21 H 7.443 0.020 1 400 52 54 GLN HE22 H 6.769 0.020 1 401 52 54 GLN N N 125.400 0.3 1 402 52 54 GLN NE2 N 110.919 0.3 1 403 53 55 VAL C C 174.018 0.3 1 404 53 55 VAL CA C 61.300 0.3 1 405 53 55 VAL CB C 32.800 0.3 1 406 53 55 VAL CG1 C 22.363 0.3 1 407 53 55 VAL H H 10.104 0.020 1 408 53 55 VAL HA H 4.444 0.020 1 409 53 55 VAL HB H 2.110 0.020 1 410 53 55 VAL N N 129.428 0.3 1 411 53 55 VAL HG1 H 0.781 0.020 1 412 53 55 VAL HG2 H 0.781 0.020 1 413 54 56 SER CA C 54.765 0.3 1 414 54 56 SER CB C 63.100 0.3 1 415 54 56 SER H H 8.910 0.020 1 416 54 56 SER HA H 4.838 0.020 1 417 54 56 SER HB2 H 3.867 0.020 2 418 54 56 SER HB3 H 3.783 0.020 2 419 54 56 SER N N 121.700 0.3 1 420 55 57 LEU C C 179.157 0.3 1 421 55 57 LEU CA C 57.617 0.3 1 422 55 57 LEU CB C 41.800 0.3 1 423 55 57 LEU CD1 C 25.600 0.3 1 424 55 57 LEU H H 9.018 0.020 1 425 55 57 LEU HA H 3.936 0.020 1 426 55 57 LEU HB2 H 1.732 0.020 2 427 55 57 LEU HB3 H 1.437 0.020 2 428 55 57 LEU HG H 1.028 0.020 1 429 55 57 LEU N N 130.700 0.3 1 430 55 57 LEU HD1 H 0.714 0.020 1 431 55 57 LEU HD2 H 0.714 0.020 1 432 56 58 GLU C C 177.584 0.3 1 433 56 58 GLU CA C 59.400 0.3 1 434 56 58 GLU CB C 28.873 0.3 1 435 56 58 GLU CG C 36.263 0.3 1 436 56 58 GLU H H 8.947 0.020 1 437 56 58 GLU HA H 3.935 0.020 1 438 56 58 GLU HB2 H 1.940 0.020 2 439 56 58 GLU HB3 H 1.871 0.020 2 440 56 58 GLU HG2 H 2.357 0.020 2 441 56 58 GLU HG3 H 2.357 0.020 2 442 56 58 GLU N N 116.887 0.3 1 443 57 59 ASN C C 174.319 0.3 1 444 57 59 ASN CA C 52.432 0.3 1 445 57 59 ASN CB C 38.700 0.3 1 446 57 59 ASN H H 7.667 0.020 1 447 57 59 ASN HA H 4.809 0.020 1 448 57 59 ASN HB2 H 2.833 0.020 2 449 57 59 ASN HB3 H 2.654 0.020 2 450 57 59 ASN N N 112.866 0.3 1 451 58 60 LYS C C 174.883 0.3 1 452 58 60 LYS CA C 57.646 0.3 1 453 58 60 LYS CB C 29.000 0.3 1 454 58 60 LYS CG C 25.300 0.3 1 455 58 60 LYS CD C 24.800 0.3 1 456 58 60 LYS CE C 42.168 0.3 1 457 58 60 LYS H H 7.837 0.020 1 458 58 60 LYS HA H 3.665 0.020 1 459 58 60 LYS HB2 H 2.189 0.020 2 460 58 60 LYS HB3 H 1.907 0.020 2 461 58 60 LYS HG2 H 1.453 0.020 1 462 58 60 LYS HG3 H 1.453 0.020 1 463 58 60 LYS HD2 H 1.341 0.020 1 464 58 60 LYS HD3 H 1.341 0.020 1 465 58 60 LYS N N 116.661 0.3 1 466 59 61 THR C C 173.314 0.3 1 467 59 61 THR CA C 59.100 0.3 1 468 59 61 THR CB C 73.000 0.3 1 469 59 61 THR CG2 C 21.191 0.3 1 470 59 61 THR H H 7.620 0.020 1 471 59 61 THR HA H 5.432 0.020 1 472 59 61 THR HB H 4.069 0.020 1 473 59 61 THR N N 106.900 0.3 1 474 59 61 THR HG2 H 1.089 0.020 1 475 60 62 ALA CA C 49.800 0.3 1 476 60 62 ALA CB C 23.000 0.3 1 477 60 62 ALA H H 8.939 0.020 1 478 60 62 ALA HA H 5.194 0.020 1 479 60 62 ALA N N 120.682 0.3 1 480 60 62 ALA HB H 1.080 0.020 1 481 61 63 GLN CA C 54.405 0.3 1 482 61 63 GLN CB C 30.800 0.3 1 483 61 63 GLN CG C 33.900 0.3 1 484 61 63 GLN H H 8.689 0.020 1 485 61 63 GLN HA H 5.121 0.020 1 486 61 63 GLN HB2 H 2.010 0.020 1 487 61 63 GLN HB3 H 2.010 0.020 1 488 61 63 GLN HG2 H 2.203 0.020 2 489 61 63 GLN HG3 H 2.097 0.020 2 490 61 63 GLN HE21 H 6.980 0.020 1 491 61 63 GLN HE22 H 7.540 0.020 1 492 61 63 GLN N N 120.892 0.3 1 493 61 63 GLN NE2 N 111.100 0.3 1 494 62 64 VAL C C 173.949 0.3 1 495 62 64 VAL CA C 60.200 0.3 1 496 62 64 VAL CB C 34.400 0.3 1 497 62 64 VAL CG1 C 22.200 0.3 1 498 62 64 VAL CG2 C 20.800 0.3 1 499 62 64 VAL H H 9.578 0.020 1 500 62 64 VAL HA H 4.942 0.020 1 501 62 64 VAL HB H 1.963 0.020 1 502 62 64 VAL N N 128.600 0.3 1 503 62 64 VAL HG1 H 1.010 0.020 2 504 62 64 VAL HG2 H 0.785 0.020 2 505 63 65 LYS CA C 54.777 0.3 1 506 63 65 LYS CB C 33.300 0.3 1 507 63 65 LYS CG C 25.100 0.3 1 508 63 65 LYS CD C 29.200 0.3 1 509 63 65 LYS H H 8.762 0.020 1 510 63 65 LYS HA H 5.600 0.020 1 511 63 65 LYS HB2 H 1.773 0.020 2 512 63 65 LYS HB3 H 1.440 0.020 2 513 63 65 LYS HG2 H 1.342 0.020 1 514 63 65 LYS HG3 H 1.342 0.020 1 515 63 65 LYS HD2 H 1.513 0.020 1 516 63 65 LYS HD3 H 1.513 0.020 1 517 63 65 LYS N N 127.100 0.3 1 518 64 66 TYR C C 170.948 0.3 1 519 64 66 TYR CA C 54.500 0.3 1 520 64 66 TYR CB C 41.500 0.3 1 521 64 66 TYR CD2 C 130.265 0.3 1 522 64 66 TYR H H 9.286 0.020 1 523 64 66 TYR HA H 5.658 0.020 1 524 64 66 TYR HB2 H 2.716 0.020 2 525 64 66 TYR HB3 H 2.510 0.020 2 526 64 66 TYR HD1 H 6.600 0.020 1 527 64 66 TYR HD2 H 6.600 0.020 1 528 64 66 TYR N N 122.206 0.3 1 529 65 67 ASP CA C 49.408 0.3 1 530 65 67 ASP CB C 41.986 0.3 1 531 65 67 ASP H H 8.938 0.020 1 532 65 67 ASP HA H 5.175 0.020 1 533 65 67 ASP HB2 H 2.625 0.020 1 534 65 67 ASP HB3 H 2.625 0.020 1 535 65 67 ASP N N 120.600 0.3 1 536 66 68 PRO C C 177.029 0.3 1 537 66 68 PRO CA C 63.100 0.3 1 538 66 68 PRO CB C 32.300 0.3 1 539 66 68 PRO CG C 25.910 0.3 1 540 66 68 PRO CD C 50.900 0.3 1 541 66 68 PRO HA H 5.137 0.020 1 542 66 68 PRO HB2 H 2.282 0.020 1 543 66 68 PRO HB3 H 2.282 0.020 1 544 66 68 PRO HG2 H 1.910 0.020 1 545 66 68 PRO HG3 H 1.910 0.020 1 546 66 68 PRO HD2 H 4.005 0.020 1 547 66 68 PRO HD3 H 4.005 0.020 1 548 67 69 SER C C 177.075 0.3 1 549 67 69 SER CA C 59.986 0.3 1 550 67 69 SER CB C 63.591 0.3 1 551 67 69 SER H H 8.925 0.020 1 552 67 69 SER HA H 4.532 0.020 1 553 67 69 SER HB2 H 4.051 0.020 2 554 67 69 SER HB3 H 3.962 0.020 2 555 67 69 SER N N 115.397 0.3 1 556 68 70 CYS C C 173.291 0.3 1 557 68 70 CYS CA C 59.392 0.3 1 558 68 70 CYS CB C 31.248 0.3 1 559 68 70 CYS H H 8.019 0.020 1 560 68 70 CYS HA H 4.674 0.020 1 561 68 70 CYS HB2 H 2.860 0.020 2 562 68 70 CYS HB3 H 2.769 0.020 2 563 68 70 CYS N N 117.000 0.3 1 564 69 71 THR C C 171.239 0.3 1 565 69 71 THR CA C 60.072 0.3 1 566 69 71 THR CB C 67.500 0.3 1 567 69 71 THR CG2 C 19.100 0.3 1 568 69 71 THR H H 7.939 0.020 1 569 69 71 THR HA H 4.591 0.020 1 570 69 71 THR HB H 4.191 0.020 1 571 69 71 THR N N 114.790 0.3 1 572 69 71 THR HG2 H 0.926 0.020 1 573 70 72 SER C C 171.732 0.3 1 574 70 72 SER CA C 55.494 0.3 1 575 70 72 SER CB C 64.400 0.3 1 576 70 72 SER H H 8.338 0.020 1 577 70 72 SER HA H 5.017 0.020 1 578 70 72 SER HB2 H 4.204 0.020 1 579 70 72 SER HB3 H 4.204 0.020 1 580 70 72 SER N N 113.800 0.3 1 581 71 73 PRO CA C 65.744 0.3 1 582 71 73 PRO CB C 32.600 0.3 1 583 71 73 PRO CG C 28.100 0.3 1 584 71 73 PRO CD C 50.379 0.3 1 585 71 73 PRO HA H 3.735 0.020 1 586 71 73 PRO HB2 H 2.043 0.020 1 587 71 73 PRO HB3 H 2.043 0.020 1 588 71 73 PRO HG2 H 2.289 0.020 1 589 71 73 PRO HG3 H 2.289 0.020 1 590 71 73 PRO HD2 H 3.795 0.020 2 591 71 73 PRO HD3 H 3.737 0.020 2 592 72 74 VAL CA C 65.100 0.3 1 593 72 74 VAL CB C 31.400 0.3 1 594 72 74 VAL CG1 C 22.400 0.3 1 595 72 74 VAL CG2 C 20.516 0.3 1 596 72 74 VAL H H 7.818 0.020 1 597 72 74 VAL HA H 3.839 0.020 1 598 72 74 VAL HB H 1.952 0.020 1 599 72 74 VAL N N 114.574 0.3 1 600 72 74 VAL HG1 H 1.009 0.020 2 601 72 74 VAL HG2 H 0.910 0.020 2 602 73 75 ALA C C 181.456 0.3 1 603 73 75 ALA CA C 54.877 0.3 1 604 73 75 ALA CB C 17.784 0.3 1 605 73 75 ALA H H 7.488 0.020 1 606 73 75 ALA HA H 4.053 0.020 1 607 73 75 ALA N N 123.709 0.3 1 608 73 75 ALA HB H 1.436 0.020 1 609 74 76 LEU C C 177.861 0.3 1 610 74 76 LEU CA C 57.582 0.3 1 611 74 76 LEU CB C 41.585 0.3 1 612 74 76 LEU CG C 25.876 0.3 1 613 74 76 LEU CD1 C 25.632 0.3 1 614 74 76 LEU CD2 C 23.197 0.3 1 615 74 76 LEU H H 8.035 0.020 1 616 74 76 LEU HA H 3.819 0.020 1 617 74 76 LEU HB2 H 1.793 0.020 2 618 74 76 LEU HB3 H 0.811 0.020 2 619 74 76 LEU HG H 1.644 0.020 1 620 74 76 LEU N N 119.665 0.3 1 621 74 76 LEU HD1 H 0.131 0.020 2 622 74 76 LEU HD2 H 0.524 0.020 2 623 75 77 GLN C C 177.042 0.3 1 624 75 77 GLN CA C 59.868 0.3 1 625 75 77 GLN CB C 28.418 0.3 1 626 75 77 GLN CG C 32.775 0.3 1 627 75 77 GLN H H 8.323 0.020 1 628 75 77 GLN HA H 3.635 0.020 1 629 75 77 GLN HB2 H 2.588 0.020 2 630 75 77 GLN HB3 H 1.803 0.020 2 631 75 77 GLN HG2 H 2.041 0.020 1 632 75 77 GLN HG3 H 2.041 0.020 1 633 75 77 GLN HE21 H 7.277 0.020 1 634 75 77 GLN HE22 H 6.570 0.020 1 635 75 77 GLN N N 119.249 0.3 1 636 75 77 GLN NE2 N 110.193 0.3 1 637 76 78 ARG CA C 58.770 0.3 1 638 76 78 ARG CB C 29.836 0.3 1 639 76 78 ARG HA H 3.987 0.020 1 640 76 78 ARG HB2 H 1.837 0.020 1 641 77 79 ALA C C 180.235 0.3 1 642 77 79 ALA CA C 54.573 0.3 1 643 77 79 ALA CB C 18.261 0.3 1 644 77 79 ALA H H 8.047 0.020 1 645 77 79 ALA HA H 4.047 0.020 1 646 77 79 ALA N N 120.856 0.3 1 647 77 79 ALA HB H 1.425 0.020 1 648 78 80 ILE C C 177.754 0.3 1 649 78 80 ILE CA C 65.119 0.3 1 650 78 80 ILE CB C 37.943 0.3 1 651 78 80 ILE CG1 C 29.859 0.3 1 652 78 80 ILE CG2 C 18.674 0.3 1 653 78 80 ILE CD1 C 13.075 0.3 1 654 78 80 ILE H H 8.069 0.020 1 655 78 80 ILE HA H 3.595 0.020 1 656 78 80 ILE HB H 1.766 0.020 1 657 78 80 ILE HG12 H 1.946 0.020 2 658 78 80 ILE HG13 H 0.602 0.020 2 659 78 80 ILE N N 117.180 0.3 1 660 78 80 ILE HG2 H 0.835 0.020 1 661 78 80 ILE HD1 H 0.547 0.020 1 662 79 81 GLU C C 178.137 0.3 1 663 79 81 GLU CA C 59.464 0.3 1 664 79 81 GLU CB C 28.696 0.3 1 665 79 81 GLU CG C 37.442 0.3 1 666 79 81 GLU H H 8.085 0.020 1 667 79 81 GLU HA H 4.133 0.020 1 668 79 81 GLU HB2 H 2.131 0.020 2 669 79 81 GLU HB3 H 1.980 0.020 2 670 79 81 GLU HG2 H 2.796 0.020 2 671 79 81 GLU HG3 H 2.579 0.020 2 672 79 81 GLU N N 116.014 0.3 1 673 80 82 ALA C C 178.408 0.3 1 674 80 82 ALA CA C 52.101 0.3 1 675 80 82 ALA CB C 18.913 0.3 1 676 80 82 ALA H H 7.506 0.020 1 677 80 82 ALA HA H 4.314 0.020 1 678 80 82 ALA N N 118.866 0.3 1 679 80 82 ALA HB H 1.458 0.020 1 680 81 83 LEU C C 175.139 0.3 1 681 81 83 LEU CA C 53.542 0.3 1 682 81 83 LEU CB C 40.676 0.3 1 683 81 83 LEU CG C 25.275 0.3 1 684 81 83 LEU CD1 C 26.819 0.3 1 685 81 83 LEU CD2 C 22.934 0.3 1 686 81 83 LEU H H 7.609 0.020 1 687 81 83 LEU HA H 4.430 0.020 1 688 81 83 LEU HB2 H 2.236 0.020 2 689 81 83 LEU HB3 H 1.612 0.020 2 690 81 83 LEU HG H 2.431 0.020 1 691 81 83 LEU N N 121.592 0.3 1 692 81 83 LEU HD1 H 1.000 0.020 2 693 81 83 LEU HD2 H 0.894 0.020 2 694 82 84 PRO CA C 61.413 0.3 1 695 82 84 PRO CB C 30.551 0.3 1 696 82 84 PRO CG C 26.997 0.3 1 697 82 84 PRO CD C 50.102 0.3 1 698 82 84 PRO HA H 4.705 0.020 1 699 82 84 PRO HB2 H 2.353 0.020 2 700 82 84 PRO HB3 H 1.902 0.020 2 701 82 84 PRO HG2 H 2.025 0.020 1 702 82 84 PRO HG3 H 2.025 0.020 1 703 82 84 PRO HD2 H 3.642 0.020 2 704 82 84 PRO HD3 H 3.828 0.020 2 705 83 85 PRO CA C 63.592 0.3 1 706 83 85 PRO CB C 32.867 0.3 1 707 83 85 PRO CG C 24.382 0.3 1 708 83 85 PRO CD C 49.981 0.3 1 709 83 85 PRO HA H 4.514 0.020 1 710 83 85 PRO HB2 H 2.084 0.020 1 711 83 85 PRO HB3 H 2.084 0.020 1 712 83 85 PRO HG2 H 1.839 0.020 1 713 83 85 PRO HG3 H 1.839 0.020 1 714 83 85 PRO HD2 H 3.325 0.020 1 715 83 85 PRO HD3 H 3.325 0.020 1 716 84 86 GLY C C 175.411 0.3 1 717 84 86 GLY CA C 46.942 0.3 1 718 84 86 GLY H H 8.865 0.020 1 719 84 86 GLY HA2 H 4.064 0.020 2 720 84 86 GLY HA3 H 3.766 0.020 2 721 84 86 GLY N N 113.190 0.3 1 722 85 87 ASN C C 175.296 0.3 1 723 85 87 ASN CA C 52.557 0.3 1 724 85 87 ASN CB C 39.555 0.3 1 725 85 87 ASN H H 7.948 0.020 1 726 85 87 ASN HA H 4.736 0.020 1 727 85 87 ASN HB2 H 2.400 0.020 2 728 85 87 ASN HB3 H 2.771 0.020 2 729 85 87 ASN HD21 H 6.774 0.020 1 730 85 87 ASN HD22 H 6.774 0.020 1 731 85 87 ASN N N 116.460 0.3 1 732 85 87 ASN ND2 N 112.843 0.3 1 733 86 88 PHE C C 176.073 0.3 1 734 86 88 PHE CA C 55.900 0.3 1 735 86 88 PHE CB C 37.700 0.3 1 736 86 88 PHE H H 8.738 0.020 1 737 86 88 PHE HA H 5.425 0.020 1 738 86 88 PHE HB2 H 2.709 0.020 2 739 86 88 PHE HB3 H 3.138 0.020 2 740 86 88 PHE HD1 H 7.284 0.020 1 741 86 88 PHE HD2 H 7.284 0.020 1 742 86 88 PHE N N 120.711 0.3 1 743 87 89 LYS CA C 54.100 0.3 1 744 87 89 LYS CB C 34.900 0.3 1 745 87 89 LYS CG C 24.200 0.3 1 746 87 89 LYS CD C 28.100 0.3 1 747 87 89 LYS CE C 42.041 0.3 1 748 87 89 LYS H H 8.422 0.020 1 749 87 89 LYS HA H 4.855 0.020 1 750 87 89 LYS HB2 H 1.795 0.020 2 751 87 89 LYS HB3 H 1.666 0.020 2 752 87 89 LYS HG2 H 1.398 0.020 2 753 87 89 LYS HG3 H 1.330 0.020 2 754 87 89 LYS HD2 H 1.673 0.020 1 755 87 89 LYS HD3 H 1.673 0.020 1 756 87 89 LYS HE2 H 2.950 0.020 2 757 87 89 LYS HE3 H 2.950 0.020 2 758 87 89 LYS N N 121.500 0.3 1 759 88 90 VAL C C 175.113 0.3 1 760 88 90 VAL CA C 60.900 0.3 1 761 88 90 VAL CB C 33.900 0.3 1 762 88 90 VAL CG1 C 23.038 0.3 1 763 88 90 VAL CG2 C 22.886 0.3 1 764 88 90 VAL H H 10.612 0.020 1 765 88 90 VAL HA H 5.084 0.020 1 766 88 90 VAL HB H 2.076 0.020 1 767 88 90 VAL N N 129.894 0.3 1 768 88 90 VAL HG1 H 1.044 0.020 2 769 88 90 VAL HG2 H 0.876 0.020 2 770 89 91 SER C C 173.283 0.3 1 771 89 91 SER CA C 56.700 0.3 1 772 89 91 SER CB C 64.400 0.3 1 773 89 91 SER H H 9.007 0.020 1 774 89 91 SER HA H 4.851 0.020 1 775 89 91 SER HB2 H 3.701 0.020 2 776 89 91 SER HB3 H 3.819 0.020 2 777 89 91 SER N N 121.940 0.3 1 778 90 92 LEU C C 174.836 0.3 1 779 90 92 LEU CA C 52.000 0.3 1 780 90 92 LEU CB C 41.000 0.3 1 781 90 92 LEU CG C 26.691 0.3 1 782 90 92 LEU CD1 C 25.300 0.3 1 783 90 92 LEU H H 8.803 0.020 1 784 90 92 LEU HA H 4.690 0.020 1 785 90 92 LEU HB2 H 1.710 0.020 2 786 90 92 LEU HB3 H 1.530 0.020 2 787 90 92 LEU HG H 1.601 0.020 1 788 90 92 LEU N N 125.689 0.3 1 789 90 92 LEU HD1 H 0.821 0.020 1 790 90 92 LEU HD2 H 0.821 0.020 1 791 91 93 PRO CA C 63.033 0.3 1 792 91 93 PRO CB C 32.000 0.3 1 793 91 93 PRO CG C 27.230 0.3 1 794 91 93 PRO CD C 50.300 0.3 1 795 91 93 PRO HA H 4.491 0.020 1 796 91 93 PRO HB2 H 2.359 0.020 1 797 91 93 PRO HB3 H 2.359 0.020 1 798 91 93 PRO HG2 H 2.030 0.020 1 799 91 93 PRO HG3 H 2.030 0.020 1 800 91 93 PRO HD2 H 3.780 0.020 2 801 91 93 PRO HD3 H 3.653 0.020 2 802 92 94 ASP C C 176.966 0.3 1 803 92 94 ASP CA C 54.515 0.3 1 804 92 94 ASP CB C 40.700 0.3 1 805 92 94 ASP H H 8.531 0.020 1 806 92 94 ASP HA H 4.538 0.020 1 807 92 94 ASP HB2 H 2.688 0.020 1 808 92 94 ASP HB3 H 2.688 0.020 1 809 92 94 ASP N N 120.300 0.3 1 810 93 95 GLY C C 174.137 0.3 1 811 93 95 GLY CA C 44.900 0.3 1 812 93 95 GLY H H 8.490 0.020 1 813 93 95 GLY HA2 H 3.970 0.020 1 814 93 95 GLY HA3 H 3.970 0.020 1 815 93 95 GLY N N 109.800 0.3 1 816 94 96 ALA C C 177.896 0.3 1 817 94 96 ALA CA C 52.500 0.3 1 818 94 96 ALA CB C 19.000 0.3 1 819 94 96 ALA H H 8.142 0.020 1 820 94 96 ALA HA H 4.334 0.020 1 821 94 96 ALA N N 123.396 0.3 1 822 94 96 ALA HB H 1.404 0.020 1 823 95 97 GLU C C 177.005 0.3 1 824 95 97 GLU CA C 56.800 0.3 1 825 95 97 GLU CB C 29.685 0.3 1 826 95 97 GLU CG C 35.900 0.3 1 827 95 97 GLU H H 8.639 0.020 1 828 95 97 GLU HA H 4.265 0.020 1 829 95 97 GLU HB2 H 2.083 0.020 1 830 95 97 GLU HB3 H 2.083 0.020 1 831 95 97 GLU HG2 H 2.292 0.020 1 832 95 97 GLU HG3 H 2.292 0.020 1 833 95 97 GLU N N 119.963 0.3 1 834 96 98 GLY C C 174.259 0.3 1 835 96 98 GLY CA C 45.200 0.3 1 836 96 98 GLY H H 8.420 0.020 1 837 96 98 GLY HA2 H 4.042 0.020 1 838 96 98 GLY HA3 H 4.042 0.020 1 839 96 98 GLY N N 109.943 0.3 1 840 97 99 SER C C 175.037 0.3 1 841 97 99 SER CA C 58.524 0.3 1 842 97 99 SER CB C 63.900 0.3 1 843 97 99 SER H H 8.304 0.020 1 844 97 99 SER HA H 4.489 0.020 1 845 97 99 SER HB2 H 3.902 0.020 1 846 97 99 SER HB3 H 3.902 0.020 1 847 97 99 SER N N 115.677 0.3 1 848 98 100 GLY C C 174.400 0.3 1 849 98 100 GLY CA C 45.380 0.3 1 850 98 100 GLY H H 8.585 0.020 1 851 98 100 GLY HA2 H 4.049 0.020 1 852 98 100 GLY HA3 H 4.049 0.020 1 853 98 100 GLY N N 110.918 0.3 1 854 99 101 THR C C 174.182 0.3 1 855 99 101 THR CA C 61.500 0.3 1 856 99 101 THR CB C 69.489 0.3 1 857 99 101 THR CG2 C 21.200 0.3 1 858 99 101 THR H H 8.083 0.020 1 859 99 101 THR HA H 4.300 0.020 1 860 99 101 THR HB H 4.214 0.020 1 861 99 101 THR N N 112.963 0.3 1 862 99 101 THR HG2 H 1.133 0.020 1 863 100 102 ASP C C 175.619 0.3 1 864 100 102 ASP CA C 53.874 0.3 1 865 100 102 ASP CB C 40.900 0.3 1 866 100 102 ASP H H 8.373 0.020 1 867 100 102 ASP HA H 4.571 0.020 1 868 100 102 ASP HB2 H 2.644 0.020 1 869 100 102 ASP HB3 H 2.644 0.020 1 870 100 102 ASP N N 122.260 0.3 1 871 101 103 HIS C C 174.860 0.3 1 872 101 103 HIS CA C 55.900 0.3 1 873 101 103 HIS CB C 29.500 0.3 1 874 101 103 HIS H H 8.267 0.020 1 875 101 103 HIS HA H 4.667 0.020 1 876 101 103 HIS HB2 H 3.120 0.020 2 877 101 103 HIS HB3 H 3.240 0.020 2 878 101 103 HIS HD2 H 7.188 0.020 1 879 101 103 HIS N N 118.773 0.3 1 880 102 104 ARG C C 176.484 0.3 1 881 102 104 ARG CA C 56.024 0.3 1 882 102 104 ARG CB C 30.577 0.3 1 883 102 104 ARG CG C 26.700 0.3 1 884 102 104 ARG CD C 43.300 0.3 1 885 102 104 ARG H H 8.332 0.020 1 886 102 104 ARG HA H 4.314 0.020 1 887 102 104 ARG HB2 H 1.815 0.020 1 888 102 104 ARG HB3 H 1.815 0.020 1 889 102 104 ARG HG2 H 1.595 0.020 1 890 102 104 ARG HG3 H 1.595 0.020 1 891 102 104 ARG HD2 H 3.194 0.020 1 892 102 104 ARG HD3 H 3.194 0.020 1 893 102 104 ARG N N 121.841 0.3 1 894 103 105 SER C C 174.675 0.3 1 895 103 105 SER CA C 58.172 0.3 1 896 103 105 SER CB C 63.800 0.3 1 897 103 105 SER H H 8.428 0.020 1 898 103 105 SER HA H 4.506 0.020 1 899 103 105 SER HB2 H 3.891 0.020 1 900 103 105 SER HB3 H 3.891 0.020 1 901 103 105 SER N N 116.734 0.3 1 902 104 106 SER C C 174.884 0.3 1 903 104 106 SER CA C 58.198 0.3 1 904 104 106 SER CB C 63.677 0.3 1 905 104 106 SER H H 8.423 0.020 1 906 104 106 SER HA H 4.480 0.020 1 907 104 106 SER HB2 H 3.897 0.020 1 908 104 106 SER HB3 H 3.897 0.020 1 909 104 106 SER N N 117.800 0.3 1 910 105 107 SER CA C 58.294 0.3 1 911 105 107 SER CB C 63.793 0.3 1 912 105 107 SER H H 8.277 0.020 1 913 105 107 SER HA H 4.428 0.020 1 914 105 107 SER HB2 H 3.860 0.020 1 915 105 107 SER HB3 H 3.860 0.020 1 916 105 107 SER N N 117.394 0.3 1 917 109 111 PRO CA C 63.530 0.3 1 918 109 111 PRO CB C 31.747 0.3 1 919 109 111 PRO CG C 29.137 0.3 1 920 109 111 PRO CD C 50.288 0.3 1 921 109 111 PRO HA H 4.700 0.020 1 922 109 111 PRO HB2 H 2.006 0.020 1 923 109 111 PRO HB3 H 2.006 0.020 1 924 109 111 PRO HG2 H 2.031 0.020 1 925 109 111 PRO HG3 H 2.031 0.020 1 926 109 111 PRO HD2 H 3.617 0.020 1 927 109 111 PRO HD3 H 3.617 0.020 1 928 110 112 GLY C C 173.790 0.3 1 929 110 112 GLY CA C 45.000 0.3 1 930 110 112 GLY H H 8.494 0.020 1 931 110 112 GLY HA2 H 3.951 0.020 1 932 110 112 GLY HA3 H 3.951 0.020 1 933 110 112 GLY N N 109.378 0.3 1 934 111 113 SER C C 171.809 0.3 1 935 111 113 SER CA C 56.435 0.3 1 936 111 113 SER CB C 63.271 0.3 1 937 111 113 SER H H 8.114 0.020 1 938 111 113 SER HA H 4.768 0.020 1 939 111 113 SER HB2 H 3.851 0.020 2 940 111 113 SER HB3 H 3.785 0.020 2 941 111 113 SER N N 116.919 0.3 1 942 116 118 GLN CA C 55.400 0.3 1 943 116 118 GLN CB C 29.600 0.3 1 944 116 118 GLN CG C 33.600 0.3 1 945 116 118 GLN HA H 4.339 0.020 1 946 116 118 GLN HB2 H 2.342 0.020 1 947 116 118 GLN HB3 H 2.342 0.020 1 948 116 118 GLN HG2 H 2.330 0.020 1 949 116 118 GLN HG3 H 2.330 0.020 1 950 116 118 GLN NE2 N 117.000 0.3 1 951 117 119 VAL C C 175.948 0.3 1 952 117 119 VAL CA C 62.100 0.3 1 953 117 119 VAL CB C 32.100 0.3 1 954 117 119 VAL CG1 C 20.700 0.3 1 955 117 119 VAL H H 8.196 0.020 1 956 117 119 VAL HA H 4.077 0.020 1 957 117 119 VAL HB H 2.030 0.020 1 958 117 119 VAL N N 121.631 0.3 1 959 117 119 VAL HG1 H 0.911 0.020 1 960 117 119 VAL HG2 H 0.911 0.020 1 961 118 120 GLN C C 176.107 0.3 1 962 118 120 GLN CA C 55.769 0.3 1 963 118 120 GLN CB C 29.500 0.3 1 964 118 120 GLN CG C 33.700 0.3 1 965 118 120 GLN H H 8.523 0.020 1 966 118 120 GLN HA H 4.363 0.020 1 967 118 120 GLN HB2 H 2.050 0.020 2 968 118 120 GLN HB3 H 2.050 0.020 2 969 118 120 GLN HG2 H 2.364 0.020 1 970 118 120 GLN HG3 H 2.364 0.020 1 971 118 120 GLN HE21 H 7.513 0.020 1 972 118 120 GLN HE22 H 6.864 0.020 1 973 118 120 GLN N N 124.625 0.3 1 974 118 120 GLN NE2 N 112.427 0.3 1 975 119 121 GLY C C 173.824 0.3 1 976 119 121 GLY CA C 44.900 0.3 1 977 119 121 GLY H H 8.426 0.020 1 978 119 121 GLY HA2 H 4.022 0.020 1 979 119 121 GLY HA3 H 4.022 0.020 1 980 119 121 GLY N N 110.442 0.3 1 981 120 122 THR C C 174.184 0.3 1 982 120 122 THR CA C 61.600 0.3 1 983 120 122 THR CB C 69.375 0.3 1 984 120 122 THR CG2 C 21.419 0.3 1 985 120 122 THR H H 8.080 0.020 1 986 120 122 THR HA H 4.382 0.020 1 987 120 122 THR HB H 4.210 0.020 1 988 120 122 THR N N 113.000 0.3 1 989 120 122 THR HG2 H 1.170 0.020 1 990 121 123 CYS C C 173.958 0.3 1 991 121 123 CYS CA C 58.400 0.3 1 992 121 123 CYS CB C 29.238 0.3 1 993 121 123 CYS H H 8.251 0.020 1 994 121 123 CYS HA H 4.689 0.020 1 995 121 123 CYS HB2 H 2.715 0.020 1 996 121 123 CYS HB3 H 2.715 0.020 1 997 121 123 CYS N N 120.298 0.3 1 998 122 124 SER C C 171.167 0.3 1 999 122 124 SER CA C 57.600 0.3 1 1000 122 124 SER CB C 65.396 0.3 1 1001 122 124 SER H H 8.663 0.020 1 1002 122 124 SER HA H 4.697 0.020 1 1003 122 124 SER HB2 H 3.670 0.020 2 1004 122 124 SER HB3 H 2.748 0.020 2 1005 122 124 SER N N 120.338 0.3 1 1006 123 125 THR C C 174.523 0.3 1 1007 123 125 THR CA C 60.900 0.3 1 1008 123 125 THR CB C 70.600 0.3 1 1009 123 125 THR CG2 C 21.200 0.3 1 1010 123 125 THR H H 8.561 0.020 1 1011 123 125 THR HA H 5.728 0.020 1 1012 123 125 THR HB H 3.865 0.020 1 1013 123 125 THR N N 116.200 0.3 1 1014 123 125 THR HG2 H 1.084 0.020 1 1015 124 126 THR C C 169.531 0.3 1 1016 124 126 THR CA C 59.800 0.3 1 1017 124 126 THR CB C 69.300 0.3 1 1018 124 126 THR CG2 C 19.600 0.3 1 1019 124 126 THR H H 9.224 0.020 1 1020 124 126 THR HA H 5.017 0.020 1 1021 124 126 THR HB H 4.117 0.020 1 1022 124 126 THR N N 122.360 0.3 1 1023 124 126 THR HG2 H 0.888 0.020 1 1024 125 127 LEU C C 174.709 0.3 1 1025 125 127 LEU CA C 53.300 0.3 1 1026 125 127 LEU CB C 45.087 0.3 1 1027 125 127 LEU CG C 27.400 0.3 1 1028 125 127 LEU CD1 C 25.535 0.3 1 1029 125 127 LEU CD2 C 24.200 0.3 1 1030 125 127 LEU H H 8.071 0.020 1 1031 125 127 LEU HA H 5.361 0.020 1 1032 125 127 LEU HB2 H 1.752 0.020 2 1033 125 127 LEU HB3 H 1.392 0.020 2 1034 125 127 LEU HG H 1.367 0.020 1 1035 125 127 LEU N N 130.075 0.3 1 1036 125 127 LEU HD1 H 0.890 0.020 2 1037 125 127 LEU HD2 H 0.890 0.020 2 1038 126 128 ILE C C 174.833 0.3 1 1039 126 128 ILE CA C 59.000 0.3 1 1040 126 128 ILE CB C 41.700 0.3 1 1041 126 128 ILE CG1 C 28.022 0.3 1 1042 126 128 ILE CG2 C 17.400 0.3 1 1043 126 128 ILE CD1 C 13.500 0.3 1 1044 126 128 ILE H H 9.213 0.020 1 1045 126 128 ILE HA H 4.737 0.020 1 1046 126 128 ILE HB H 1.547 0.020 1 1047 126 128 ILE HG12 H 0.885 0.020 1 1048 126 128 ILE HG13 H 0.885 0.020 1 1049 126 128 ILE N N 125.700 0.3 1 1050 126 128 ILE HG2 H 0.698 0.020 1 1051 126 128 ILE HD1 H 0.576 0.020 1 1052 127 129 ALA C C 176.730 0.3 1 1053 127 129 ALA CA C 51.200 0.3 1 1054 127 129 ALA CB C 19.006 0.3 1 1055 127 129 ALA H H 9.352 0.020 1 1056 127 129 ALA HA H 4.737 0.020 1 1057 127 129 ALA N N 131.600 0.3 1 1058 127 129 ALA HB H 1.362 0.020 1 1059 128 130 ILE C C 174.910 0.3 1 1060 128 130 ILE CA C 60.400 0.3 1 1061 128 130 ILE CB C 40.800 0.3 1 1062 128 130 ILE CG1 C 26.900 0.3 1 1063 128 130 ILE CG2 C 18.000 0.3 1 1064 128 130 ILE CD1 C 15.285 0.3 1 1065 128 130 ILE H H 8.498 0.020 1 1066 128 130 ILE HA H 4.737 0.020 1 1067 128 130 ILE HB H 1.305 0.020 1 1068 128 130 ILE HG12 H 1.638 0.020 2 1069 128 130 ILE HG13 H 0.634 0.020 2 1070 128 130 ILE N N 122.581 0.3 1 1071 128 130 ILE HG2 H 0.549 0.020 1 1072 128 130 ILE HD1 H 0.666 0.020 1 1073 129 131 ALA C C 177.543 0.3 1 1074 129 131 ALA CA C 50.734 0.3 1 1075 129 131 ALA CB C 20.774 0.3 1 1076 129 131 ALA H H 9.250 0.020 1 1077 129 131 ALA HA H 4.780 0.020 1 1078 129 131 ALA N N 131.600 0.3 1 1079 129 131 ALA HB H 1.475 0.020 1 1080 130 132 GLY C C 175.592 0.3 1 1081 130 132 GLY CA C 45.187 0.3 1 1082 130 132 GLY H H 8.589 0.020 1 1083 130 132 GLY HA2 H 4.589 0.020 2 1084 130 132 GLY HA3 H 3.769 0.020 2 1085 130 132 GLY N N 107.427 0.3 1 1086 131 133 MET C C 177.079 0.3 1 1087 131 133 MET CA C 56.573 0.3 1 1088 131 133 MET CB C 33.700 0.3 1 1089 131 133 MET CG C 31.107 0.3 1 1090 131 133 MET CE C 16.300 0.3 1 1091 131 133 MET H H 8.907 0.020 1 1092 131 133 MET HA H 4.742 0.020 1 1093 131 133 MET HB2 H 1.507 0.020 1 1094 131 133 MET HB3 H 1.507 0.020 1 1095 131 133 MET HG2 H 2.089 0.020 1 1096 131 133 MET HG3 H 2.089 0.020 1 1097 131 133 MET HE H 1.847 0.020 1 1098 131 133 MET N N 120.104 0.3 1 1099 132 134 THR CA C 61.900 0.3 1 1100 132 134 THR CB C 70.430 0.3 1 1101 132 134 THR CG2 C 21.459 0.3 1 1102 132 134 THR HA H 4.487 0.020 1 1103 132 134 THR HB H 4.396 0.020 1 1104 132 134 THR HG2 H 1.209 0.020 1 1105 133 135 CYS C C 174.145 0.3 1 1106 133 135 CYS CA C 56.300 0.3 1 1107 133 135 CYS CB C 30.500 0.3 1 1108 133 135 CYS H H 7.775 0.020 1 1109 133 135 CYS HA H 4.963 0.020 1 1110 133 135 CYS HB2 H 3.409 0.020 2 1111 133 135 CYS HB3 H 3.169 0.020 2 1112 133 135 CYS N N 115.139 0.3 1 1113 134 136 ALA C C 179.176 0.3 1 1114 134 136 ALA CA C 54.848 0.3 1 1115 134 136 ALA CB C 18.184 0.3 1 1116 134 136 ALA H H 9.053 0.020 1 1117 134 136 ALA HA H 4.016 0.020 1 1118 134 136 ALA N N 124.037 0.3 1 1119 134 136 ALA HB H 1.477 0.020 1 1120 135 137 SER CA C 61.507 0.3 1 1121 135 137 SER CB C 65.200 0.3 1 1122 135 137 SER H H 8.581 0.020 1 1123 135 137 SER HA H 4.031 0.020 1 1124 135 137 SER HB2 H 4.285 0.020 1 1125 135 137 SER HB3 H 4.285 0.020 1 1126 135 137 SER N N 114.100 0.3 1 1127 136 138 CYS C C 176.415 0.3 1 1128 136 138 CYS CA C 62.700 0.3 1 1129 136 138 CYS CB C 27.900 0.3 1 1130 136 138 CYS H H 7.745 0.020 1 1131 136 138 CYS HA H 4.283 0.020 1 1132 136 138 CYS HB2 H 2.931 0.020 2 1133 136 138 CYS HB3 H 3.157 0.020 2 1134 136 138 CYS N N 121.800 0.3 1 1135 137 139 VAL C C 177.290 0.3 1 1136 137 139 VAL CA C 66.200 0.3 1 1137 137 139 VAL CB C 31.185 0.3 1 1138 137 139 VAL CG1 C 20.700 0.3 1 1139 137 139 VAL H H 7.040 0.020 1 1140 137 139 VAL HA H 3.232 0.020 1 1141 137 139 VAL HB H 2.214 0.020 1 1142 137 139 VAL N N 118.500 0.3 1 1143 137 139 VAL HG1 H 0.826 0.020 1 1144 137 139 VAL HG2 H 0.980 0.020 1 1145 138 140 HIS C C 178.706 0.3 1 1146 138 140 HIS CA C 57.700 0.3 1 1147 138 140 HIS CB C 28.696 0.3 1 1148 138 140 HIS CD2 C 117.423 0.3 1 1149 138 140 HIS H H 7.829 0.020 1 1150 138 140 HIS HA H 4.591 0.020 1 1151 138 140 HIS HB2 H 3.334 0.020 2 1152 138 140 HIS HB3 H 3.281 0.020 2 1153 138 140 HIS HD2 H 7.226 0.020 1 1154 138 140 HIS N N 115.544 0.3 1 1155 139 141 SER C C 178.856 0.3 1 1156 139 141 SER CA C 61.901 0.3 1 1157 139 141 SER CB C 62.338 0.3 1 1158 139 141 SER H H 8.278 0.020 1 1159 139 141 SER HA H 4.051 0.020 1 1160 139 141 SER HB2 H 4.297 0.020 1 1161 139 141 SER HB3 H 4.297 0.020 1 1162 139 141 SER N N 116.678 0.3 1 1163 140 142 ILE C C 177.736 0.3 1 1164 140 142 ILE CA C 65.700 0.3 1 1165 140 142 ILE CB C 38.443 0.3 1 1166 140 142 ILE CG1 C 29.080 0.3 1 1167 140 142 ILE CG2 C 17.388 0.3 1 1168 140 142 ILE CD1 C 13.708 0.3 1 1169 140 142 ILE H H 8.067 0.020 1 1170 140 142 ILE HA H 3.592 0.020 1 1171 140 142 ILE HB H 1.623 0.020 1 1172 140 142 ILE HG12 H 1.731 0.020 2 1173 140 142 ILE HG13 H 0.758 0.020 2 1174 140 142 ILE N N 122.819 0.3 1 1175 140 142 ILE HG2 H 0.624 0.020 1 1176 140 142 ILE HD1 H 0.034 0.020 1 1177 141 143 GLU C C 179.739 0.3 1 1178 141 143 GLU CA C 60.133 0.3 1 1179 141 143 GLU CB C 29.166 0.3 1 1180 141 143 GLU CG C 37.839 0.3 1 1181 141 143 GLU H H 8.528 0.020 1 1182 141 143 GLU HA H 3.722 0.020 1 1183 141 143 GLU HB2 H 2.011 0.020 2 1184 141 143 GLU HB3 H 2.113 0.020 2 1185 141 143 GLU HG2 H 1.976 0.020 1 1186 141 143 GLU HG3 H 1.976 0.020 1 1187 141 143 GLU N N 117.204 0.3 1 1188 142 144 GLY C C 175.260 0.3 1 1189 142 144 GLY CA C 46.601 0.3 1 1190 142 144 GLY H H 8.330 0.020 1 1191 142 144 GLY HA2 H 3.889 0.020 2 1192 142 144 GLY HA3 H 3.755 0.020 2 1193 142 144 GLY N N 106.112 0.3 1 1194 143 145 MET C C 179.266 0.3 1 1195 143 145 MET CA C 57.324 0.3 1 1196 143 145 MET CB C 32.206 0.3 1 1197 143 145 MET CE C 16.720 0.3 1 1198 143 145 MET H H 7.665 0.020 1 1199 143 145 MET HA H 4.327 0.020 1 1200 143 145 MET HB2 H 2.710 0.020 2 1201 143 145 MET HB3 H 2.194 0.020 2 1202 143 145 MET HE H 2.103 0.020 1 1203 143 145 MET N N 119.797 0.3 1 1204 144 146 ILE C C 177.754 0.3 1 1205 144 146 ILE CA C 61.300 0.3 1 1206 144 146 ILE CB C 35.005 0.3 1 1207 144 146 ILE CG1 C 28.039 0.3 1 1208 144 146 ILE CG2 C 19.527 0.3 1 1209 144 146 ILE CD1 C 9.786 0.3 1 1210 144 146 ILE H H 8.458 0.020 1 1211 144 146 ILE HA H 3.784 0.020 1 1212 144 146 ILE HB H 2.084 0.020 1 1213 144 146 ILE HG12 H 1.747 0.020 2 1214 144 146 ILE HG13 H 1.067 0.020 2 1215 144 146 ILE N N 118.946 0.3 1 1216 144 146 ILE HG2 H 0.792 0.020 1 1217 144 146 ILE HD1 H 0.619 0.020 1 1218 145 147 SER C C 174.531 0.3 1 1219 145 147 SER CA C 61.314 0.3 1 1220 145 147 SER CB C 62.916 0.3 1 1221 145 147 SER H H 7.925 0.020 1 1222 145 147 SER HA H 3.953 0.020 1 1223 145 147 SER HB2 H 3.996 0.020 2 1224 145 147 SER HB3 H 3.955 0.020 2 1225 145 147 SER N N 110.816 0.3 1 1226 146 148 GLN C C 176.296 0.3 1 1227 146 148 GLN CA C 55.453 0.3 1 1228 146 148 GLN CB C 29.466 0.3 1 1229 146 148 GLN CG C 33.803 0.3 1 1230 146 148 GLN H H 6.976 0.020 1 1231 146 148 GLN HA H 4.329 0.020 1 1232 146 148 GLN HB2 H 2.348 0.020 2 1233 146 148 GLN HB3 H 2.035 0.020 2 1234 146 148 GLN HG2 H 2.578 0.020 2 1235 146 148 GLN HG3 H 2.418 0.020 2 1236 146 148 GLN HE21 H 7.441 0.020 1 1237 146 148 GLN HE22 H 6.830 0.020 1 1238 146 148 GLN N N 116.210 0.3 1 1239 146 148 GLN NE2 N 112.868 0.3 1 1240 147 149 LEU C C 177.447 0.3 1 1241 147 149 LEU CA C 54.609 0.3 1 1242 147 149 LEU CB C 41.602 0.3 1 1243 147 149 LEU CG C 25.867 0.3 1 1244 147 149 LEU CD1 C 22.406 0.3 1 1245 147 149 LEU H H 7.552 0.020 1 1246 147 149 LEU HA H 4.265 0.020 1 1247 147 149 LEU HB2 H 1.930 0.020 2 1248 147 149 LEU HB3 H 1.221 0.020 2 1249 147 149 LEU HG H 1.879 0.020 1 1250 147 149 LEU N N 121.368 0.3 1 1251 147 149 LEU HD1 H 0.834 0.020 1 1252 147 149 LEU HD2 H 0.834 0.020 1 1253 148 150 GLU C C 176.154 0.3 1 1254 148 150 GLU CA C 57.725 0.3 1 1255 148 150 GLU CB C 28.803 0.3 1 1256 148 150 GLU CG C 36.108 0.3 1 1257 148 150 GLU H H 8.644 0.020 1 1258 148 150 GLU HA H 4.007 0.020 1 1259 148 150 GLU HB2 H 1.981 0.020 2 1260 148 150 GLU HB3 H 1.940 0.020 2 1261 148 150 GLU HG2 H 2.341 0.020 2 1262 148 150 GLU HG3 H 2.299 0.020 2 1263 148 150 GLU N N 125.449 0.3 1 1264 149 151 GLY C C 174.407 0.3 1 1265 149 151 GLY CA C 44.967 0.3 1 1266 149 151 GLY H H 8.663 0.020 1 1267 149 151 GLY HA2 H 4.384 0.020 2 1268 149 151 GLY HA3 H 3.692 0.020 2 1269 149 151 GLY N N 110.126 0.3 1 1270 150 152 VAL C C 175.430 0.3 1 1271 150 152 VAL CA C 63.949 0.3 1 1272 150 152 VAL CB C 31.458 0.3 1 1273 150 152 VAL CG1 C 23.992 0.3 1 1274 150 152 VAL CG2 C 20.710 0.3 1 1275 150 152 VAL H H 7.691 0.020 1 1276 150 152 VAL HA H 3.866 0.020 1 1277 150 152 VAL HB H 2.272 0.020 1 1278 150 152 VAL N N 120.863 0.3 1 1279 150 152 VAL HG1 H 0.853 0.020 2 1280 150 152 VAL HG2 H 0.712 0.020 2 1281 151 153 GLN C C 175.813 0.3 1 1282 151 153 GLN CA C 56.379 0.3 1 1283 151 153 GLN CB C 29.601 0.3 1 1284 151 153 GLN CG C 33.931 0.3 1 1285 151 153 GLN H H 9.238 0.020 1 1286 151 153 GLN HA H 4.468 0.020 1 1287 151 153 GLN HB2 H 1.839 0.020 2 1288 151 153 GLN HB3 H 1.977 0.020 2 1289 151 153 GLN HG2 H 2.346 0.020 2 1290 151 153 GLN HG3 H 2.262 0.020 2 1291 151 153 GLN HE21 H 7.351 0.020 1 1292 151 153 GLN HE22 H 6.790 0.020 1 1293 151 153 GLN N N 128.424 0.3 1 1294 151 153 GLN NE2 N 111.369 0.3 1 1295 152 154 GLN C C 172.815 0.3 1 1296 152 154 GLN CA C 55.515 0.3 1 1297 152 154 GLN CB C 32.603 0.3 1 1298 152 154 GLN CG C 34.108 0.3 1 1299 152 154 GLN H H 7.882 0.020 1 1300 152 154 GLN HA H 4.630 0.020 1 1301 152 154 GLN HB2 H 2.080 0.020 2 1302 152 154 GLN HB3 H 2.054 0.020 2 1303 152 154 GLN HG2 H 2.265 0.020 2 1304 152 154 GLN HG3 H 2.331 0.020 2 1305 152 154 GLN N N 116.381 0.3 1 1306 153 155 ILE C C 172.287 0.3 1 1307 153 155 ILE CA C 58.202 0.3 1 1308 153 155 ILE CB C 40.022 0.3 1 1309 153 155 ILE CG1 C 28.928 0.3 1 1310 153 155 ILE CG2 C 15.208 0.3 1 1311 153 155 ILE CD1 C 14.524 0.3 1 1312 153 155 ILE H H 8.828 0.020 1 1313 153 155 ILE HA H 5.284 0.020 1 1314 153 155 ILE HB H 1.718 0.020 1 1315 153 155 ILE HG12 H 1.424 0.020 2 1316 153 155 ILE HG13 H 0.861 0.020 2 1317 153 155 ILE N N 120.862 0.3 1 1318 153 155 ILE HG2 H 0.968 0.020 1 1319 153 155 ILE HD1 H 0.667 0.020 1 1320 154 156 SER C C 173.743 0.3 1 1321 154 156 SER CA C 55.761 0.3 1 1322 154 156 SER CB C 64.504 0.3 1 1323 154 156 SER H H 8.321 0.020 1 1324 154 156 SER HA H 4.902 0.020 1 1325 154 156 SER HB2 H 3.710 0.020 2 1326 154 156 SER HB3 H 3.678 0.020 2 1327 154 156 SER N N 120.385 0.3 1 1328 155 157 VAL C C 174.241 0.3 1 1329 155 157 VAL CA C 61.003 0.3 1 1330 155 157 VAL CB C 32.424 0.3 1 1331 155 157 VAL CG1 C 22.387 0.3 1 1332 155 157 VAL H H 9.878 0.020 1 1333 155 157 VAL HA H 4.665 0.020 1 1334 155 157 VAL HB H 2.057 0.020 1 1335 155 157 VAL N N 129.554 0.3 1 1336 155 157 VAL HG1 H 0.711 0.020 1 1337 155 157 VAL HG2 H 0.711 0.020 1 1338 156 158 SER C C 175.325 0.3 1 1339 156 158 SER CA C 54.305 0.3 1 1340 156 158 SER CB C 63.009 0.3 1 1341 156 158 SER H H 8.885 0.020 1 1342 156 158 SER HA H 4.792 0.020 1 1343 156 158 SER HB2 H 3.918 0.020 2 1344 156 158 SER HB3 H 3.820 0.020 2 1345 156 158 SER N N 120.782 0.3 1 1346 157 159 LEU C C 178.688 0.3 1 1347 157 159 LEU CA C 57.655 0.3 1 1348 157 159 LEU CB C 41.505 0.3 1 1349 157 159 LEU CG C 26.331 0.3 1 1350 157 159 LEU CD1 C 25.176 0.3 1 1351 157 159 LEU CD2 C 23.495 0.3 1 1352 157 159 LEU H H 8.974 0.020 1 1353 157 159 LEU HA H 3.963 0.020 1 1354 157 159 LEU HB2 H 1.736 0.020 2 1355 157 159 LEU HB3 H 1.440 0.020 2 1356 157 159 LEU HG H 1.470 0.020 1 1357 157 159 LEU N N 131.339 0.3 1 1358 157 159 LEU HD1 H 0.727 0.020 2 1359 157 159 LEU HD2 H 0.681 0.020 2 1360 158 160 ALA C C 179.870 0.3 1 1361 158 160 ALA CA C 54.704 0.3 1 1362 158 160 ALA CB C 18.514 0.3 1 1363 158 160 ALA H H 8.468 0.020 1 1364 158 160 ALA HA H 4.023 0.020 1 1365 158 160 ALA N N 119.700 0.3 1 1366 158 160 ALA HB H 1.383 0.020 1 1367 159 161 GLU C C 177.077 0.3 1 1368 159 161 GLU CA C 55.820 0.3 1 1369 159 161 GLU CB C 30.324 0.3 1 1370 159 161 GLU CG C 36.615 0.3 1 1371 159 161 GLU H H 7.766 0.020 1 1372 159 161 GLU HA H 4.309 0.020 1 1373 159 161 GLU HB2 H 2.192 0.020 2 1374 159 161 GLU HB3 H 1.775 0.020 2 1375 159 161 GLU HG2 H 2.207 0.020 1 1376 159 161 GLU HG3 H 2.207 0.020 1 1377 159 161 GLU N N 112.266 0.3 1 1378 160 162 GLY C C 174.138 0.3 1 1379 160 162 GLY CA C 46.451 0.3 1 1380 160 162 GLY H H 8.004 0.020 1 1381 160 162 GLY HA2 H 4.031 0.020 2 1382 160 162 GLY HA3 H 3.686 0.020 2 1383 160 162 GLY N N 109.801 0.3 1 1384 161 163 THR C C 173.041 0.3 1 1385 161 163 THR CA C 58.509 0.3 1 1386 161 163 THR CB C 73.206 0.3 1 1387 161 163 THR CG2 C 21.033 0.3 1 1388 161 163 THR H H 7.465 0.020 1 1389 161 163 THR HA H 5.483 0.020 1 1390 161 163 THR HB H 3.977 0.020 1 1391 161 163 THR N N 106.652 0.3 1 1392 161 163 THR HG2 H 1.037 0.020 1 1393 162 164 ALA C C 175.314 0.3 1 1394 162 164 ALA CA C 49.900 0.3 1 1395 162 164 ALA CB C 22.101 0.3 1 1396 162 164 ALA H H 9.667 0.020 1 1397 162 164 ALA HA H 5.168 0.020 1 1398 162 164 ALA N N 121.711 0.3 1 1399 162 164 ALA HB H 1.111 0.020 1 1400 163 165 THR C C 174.589 0.3 1 1401 163 165 THR CA C 61.898 0.3 1 1402 163 165 THR CB C 69.200 0.3 1 1403 163 165 THR CG2 C 21.107 0.3 1 1404 163 165 THR H H 8.828 0.020 1 1405 163 165 THR HA H 4.977 0.020 1 1406 163 165 THR HB H 3.977 0.020 1 1407 163 165 THR N N 119.759 0.3 1 1408 163 165 THR HG2 H 1.081 0.020 1 1409 164 166 VAL C C 173.797 0.3 1 1410 164 166 VAL CA C 60.620 0.3 1 1411 164 166 VAL CB C 33.893 0.3 1 1412 164 166 VAL CG1 C 23.051 0.3 1 1413 164 166 VAL CG2 C 19.992 0.3 1 1414 164 166 VAL H H 9.184 0.020 1 1415 164 166 VAL HA H 4.907 0.020 1 1416 164 166 VAL HB H 1.963 0.020 1 1417 164 166 VAL N N 127.661 0.3 1 1418 164 166 VAL HG1 H 0.989 0.020 2 1419 164 166 VAL HG2 H 0.682 0.020 2 1420 165 167 LEU C C 176.448 0.3 1 1421 165 167 LEU CA C 53.896 0.3 1 1422 165 167 LEU CB C 43.142 0.3 1 1423 165 167 LEU CG C 28.104 0.3 1 1424 165 167 LEU CD1 C 25.387 0.3 1 1425 165 167 LEU CD2 C 24.093 0.3 1 1426 165 167 LEU H H 9.070 0.020 1 1427 165 167 LEU HA H 5.585 0.020 1 1428 165 167 LEU HB2 H 1.696 0.020 2 1429 165 167 LEU HB3 H 1.563 0.020 2 1430 165 167 LEU HG H 1.552 0.020 1 1431 165 167 LEU N N 130.446 0.3 1 1432 165 167 LEU HD1 H 0.823 0.020 2 1433 165 167 LEU HD2 H 0.789 0.020 2 1434 166 168 TYR C C 171.193 0.3 1 1435 166 168 TYR CA C 54.919 0.3 1 1436 166 168 TYR CB C 41.407 0.3 1 1437 166 168 TYR CD1 C 131.000 0.3 1 1438 166 168 TYR CE1 C 114.110 0.3 1 1439 166 168 TYR H H 9.331 0.020 1 1440 166 168 TYR HA H 5.511 0.020 1 1441 166 168 TYR HB2 H 2.594 0.020 2 1442 166 168 TYR HB3 H 2.682 0.020 2 1443 166 168 TYR HD1 H 6.894 0.020 1 1444 166 168 TYR HD2 H 6.894 0.020 1 1445 166 168 TYR HE1 H 6.564 0.020 1 1446 166 168 TYR HE2 H 6.564 0.020 1 1447 166 168 TYR N N 123.630 0.3 1 1448 167 169 ASN C C 175.198 0.3 1 1449 167 169 ASN CA C 48.887 0.3 1 1450 167 169 ASN CB C 38.732 0.3 1 1451 167 169 ASN H H 8.940 0.020 1 1452 167 169 ASN HA H 5.186 0.020 1 1453 167 169 ASN HB2 H 3.131 0.020 2 1454 167 169 ASN HB3 H 2.850 0.020 2 1455 167 169 ASN HD21 H 7.873 0.020 1 1456 167 169 ASN HD22 H 7.270 0.020 1 1457 167 169 ASN N N 118.859 0.3 1 1458 167 169 ASN ND2 N 111.595 0.3 1 1459 168 170 PRO C C 177.670 0.3 1 1460 168 170 PRO CA C 63.100 0.3 1 1461 168 170 PRO CB C 32.100 0.3 1 1462 168 170 PRO CG C 26.358 0.3 1 1463 168 170 PRO CD C 51.002 0.3 1 1464 168 170 PRO HA H 5.370 0.020 1 1465 168 170 PRO HB2 H 2.276 0.020 2 1466 168 170 PRO HB3 H 2.173 0.020 2 1467 168 170 PRO HG2 H 1.914 0.020 1 1468 168 170 PRO HG3 H 1.914 0.020 1 1469 168 170 PRO HD2 H 4.014 0.020 2 1470 168 170 PRO HD3 H 3.684 0.020 2 1471 169 171 ALA C C 177.665 0.3 1 1472 169 171 ALA CA C 52.907 0.3 1 1473 169 171 ALA CB C 18.541 0.3 1 1474 169 171 ALA H H 7.975 0.020 1 1475 169 171 ALA HA H 4.332 0.020 1 1476 169 171 ALA N N 120.205 0.3 1 1477 169 171 ALA HB H 1.447 0.020 1 1478 170 172 VAL C C 173.916 0.3 1 1479 170 172 VAL CA C 62.548 0.3 1 1480 170 172 VAL CB C 35.205 0.3 1 1481 170 172 VAL CG1 C 21.240 0.3 1 1482 170 172 VAL H H 7.924 0.020 1 1483 170 172 VAL HA H 4.120 0.020 1 1484 170 172 VAL HB H 2.039 0.020 1 1485 170 172 VAL N N 116.336 0.3 1 1486 170 172 VAL HG1 H 0.900 0.020 1 1487 170 172 VAL HG2 H 0.900 0.020 1 1488 171 173 ILE C C 170.134 0.3 1 1489 171 173 ILE CA C 60.302 0.3 1 1490 171 173 ILE CB C 41.914 0.3 1 1491 171 173 ILE CG1 C 30.164 0.3 1 1492 171 173 ILE CG2 C 15.691 0.3 1 1493 171 173 ILE CD1 C 15.534 0.3 1 1494 171 173 ILE H H 8.334 0.020 1 1495 171 173 ILE HA H 4.641 0.020 1 1496 171 173 ILE HB H 1.875 0.020 1 1497 171 173 ILE HG12 H 1.728 0.020 2 1498 171 173 ILE HG13 H 1.250 0.020 2 1499 171 173 ILE N N 121.379 0.3 1 1500 171 173 ILE HG2 H 0.790 0.020 1 1501 171 173 ILE HD1 H 0.792 0.020 1 1502 172 174 SER C C 173.832 0.3 1 1503 172 174 SER CA C 54.690 0.3 1 1504 172 174 SER CB C 65.764 0.3 1 1505 172 174 SER H H 7.535 0.020 1 1506 172 174 SER HA H 5.377 0.020 1 1507 172 174 SER HB2 H 4.299 0.020 2 1508 172 174 SER HB3 H 3.924 0.020 2 1509 172 174 SER N N 116.578 0.3 1 1510 173 175 PRO C C 177.430 0.3 1 1511 173 175 PRO CA C 65.500 0.3 1 1512 173 175 PRO CB C 32.110 0.3 1 1513 173 175 PRO CG C 28.191 0.3 1 1514 173 175 PRO CD C 50.501 0.3 1 1515 173 175 PRO HA H 3.790 0.020 1 1516 173 175 PRO HB2 H 2.466 0.020 1 1517 173 175 PRO HB3 H 2.466 0.020 1 1518 173 175 PRO HG2 H 1.616 0.020 1 1519 173 175 PRO HG3 H 1.616 0.020 1 1520 173 175 PRO HD2 H 3.939 0.020 2 1521 173 175 PRO HD3 H 3.829 0.020 2 1522 174 176 GLU C C 178.606 0.3 1 1523 174 176 GLU CA C 58.600 0.3 1 1524 174 176 GLU CB C 28.324 0.3 1 1525 174 176 GLU CG C 35.113 0.3 1 1526 174 176 GLU H H 8.313 0.020 1 1527 174 176 GLU HA H 4.135 0.020 1 1528 174 176 GLU HB2 H 2.004 0.020 2 1529 174 176 GLU HB3 H 1.804 0.020 2 1530 174 176 GLU HG2 H 2.441 0.020 2 1531 174 176 GLU HG3 H 2.188 0.020 2 1532 174 176 GLU N N 115.176 0.3 1 1533 175 177 GLU C C 180.030 0.3 1 1534 175 177 GLU CA C 58.957 0.3 1 1535 175 177 GLU CB C 30.074 0.3 1 1536 175 177 GLU CG C 37.790 0.3 1 1537 175 177 GLU H H 7.581 0.020 1 1538 175 177 GLU HA H 4.005 0.020 1 1539 175 177 GLU HB2 H 2.286 0.020 2 1540 175 177 GLU HB3 H 1.983 0.020 2 1541 175 177 GLU HG2 H 2.282 0.020 2 1542 175 177 GLU HG3 H 2.216 0.020 2 1543 175 177 GLU N N 119.461 0.3 1 1544 176 178 LEU C C 177.004 0.3 1 1545 176 178 LEU CA C 57.601 0.3 1 1546 176 178 LEU CB C 42.108 0.3 1 1547 176 178 LEU CG C 26.163 0.3 1 1548 176 178 LEU CD1 C 25.407 0.3 1 1549 176 178 LEU CD2 C 24.989 0.3 1 1550 176 178 LEU H H 7.579 0.020 1 1551 176 178 LEU HA H 3.734 0.020 1 1552 176 178 LEU HB2 H 1.961 0.020 1 1553 176 178 LEU HB3 H 1.961 0.020 1 1554 176 178 LEU HG H 1.424 0.020 1 1555 176 178 LEU N N 121.256 0.3 1 1556 176 178 LEU HD1 H 0.168 0.020 2 1557 176 178 LEU HD2 H 0.621 0.020 2 1558 177 179 ARG C C 178.005 0.3 1 1559 177 179 ARG CA C 59.603 0.3 1 1560 177 179 ARG CB C 28.703 0.3 1 1561 177 179 ARG CG C 25.619 0.3 1 1562 177 179 ARG CD C 42.379 0.3 1 1563 177 179 ARG H H 8.458 0.020 1 1564 177 179 ARG HA H 3.446 0.020 1 1565 177 179 ARG HB2 H 1.739 0.020 1 1566 177 179 ARG HB3 H 1.739 0.020 1 1567 177 179 ARG HG2 H 1.438 0.020 1 1568 177 179 ARG HG3 H 1.438 0.020 1 1569 177 179 ARG HD2 H 3.499 0.020 1 1570 177 179 ARG HD3 H 3.499 0.020 1 1571 177 179 ARG N N 119.280 0.3 1 1572 178 180 ALA C C 179.404 0.3 1 1573 178 180 ALA CA C 54.700 0.3 1 1574 178 180 ALA CB C 18.009 0.3 1 1575 178 180 ALA H H 8.388 0.020 1 1576 178 180 ALA HA H 4.020 0.020 1 1577 178 180 ALA N N 120.283 0.3 1 1578 178 180 ALA HB H 1.459 0.020 1 1579 179 181 ALA C C 180.219 0.3 1 1580 179 181 ALA CA C 54.661 0.3 1 1581 179 181 ALA CB C 17.705 0.3 1 1582 179 181 ALA H H 7.688 0.020 1 1583 179 181 ALA HA H 4.151 0.020 1 1584 179 181 ALA N N 120.313 0.3 1 1585 179 181 ALA HB H 1.459 0.020 1 1586 180 182 ILE C C 178.484 0.3 1 1587 180 182 ILE CA C 65.402 0.3 1 1588 180 182 ILE CB C 38.059 0.3 1 1589 180 182 ILE CG1 C 29.809 0.3 1 1590 180 182 ILE CG2 C 18.671 0.3 1 1591 180 182 ILE CD1 C 13.419 0.3 1 1592 180 182 ILE H H 7.584 0.020 1 1593 180 182 ILE HA H 3.620 0.020 1 1594 180 182 ILE HB H 1.777 0.020 1 1595 180 182 ILE HG12 H 0.570 0.020 1 1596 180 182 ILE HG13 H 0.570 0.020 1 1597 180 182 ILE N N 119.046 0.3 1 1598 180 182 ILE HG2 H 0.841 0.020 1 1599 180 182 ILE HD1 H 0.552 0.020 1 1600 181 183 GLU C C 181.344 0.3 1 1601 181 183 GLU CA C 58.815 0.3 1 1602 181 183 GLU CB C 29.100 0.3 1 1603 181 183 GLU CG C 37.101 0.3 1 1604 181 183 GLU H H 8.421 0.020 1 1605 181 183 GLU HA H 4.805 0.020 1 1606 181 183 GLU HB2 H 2.189 0.020 1 1607 181 183 GLU HB3 H 2.189 0.020 1 1608 181 183 GLU HG2 H 2.592 0.020 1 1609 181 183 GLU HG3 H 2.592 0.020 1 1610 181 183 GLU N N 122.094 0.3 1 1611 182 184 ASP C C 177.529 0.3 1 1612 182 184 ASP CA C 56.303 0.3 1 1613 182 184 ASP CB C 40.509 0.3 1 1614 182 184 ASP H H 8.435 0.020 1 1615 182 184 ASP HA H 4.486 0.020 1 1616 182 184 ASP HB2 H 2.833 0.020 2 1617 182 184 ASP HB3 H 2.693 0.020 2 1618 182 184 ASP N N 120.615 0.3 1 1619 183 185 MET C C 175.890 0.3 1 1620 183 185 MET CA C 56.400 0.3 1 1621 183 185 MET CB C 33.304 0.3 1 1622 183 185 MET CG C 32.631 0.3 1 1623 183 185 MET H H 7.600 0.020 1 1624 183 185 MET HA H 4.307 0.020 1 1625 183 185 MET HB2 H 2.985 0.020 2 1626 183 185 MET HB3 H 2.623 0.020 2 1627 183 185 MET HG2 H 2.494 0.020 1 1628 183 185 MET HG3 H 2.494 0.020 1 1629 183 185 MET N N 116.337 0.3 1 1630 184 186 GLY C C 173.164 0.3 1 1631 184 186 GLY CA C 44.648 0.3 1 1632 184 186 GLY H H 8.118 0.020 1 1633 184 186 GLY HA2 H 4.045 0.020 2 1634 184 186 GLY HA3 H 3.581 0.020 2 1635 184 186 GLY N N 105.310 0.3 1 1636 185 187 PHE C C 174.035 0.3 1 1637 185 187 PHE CA C 56.511 0.3 1 1638 185 187 PHE CB C 41.203 0.3 1 1639 185 187 PHE CD1 C 129.170 0.3 1 1640 185 187 PHE H H 6.893 0.020 1 1641 185 187 PHE HA H 4.795 0.020 1 1642 185 187 PHE HB2 H 3.285 0.020 2 1643 185 187 PHE HB3 H 2.365 0.020 2 1644 185 187 PHE HD1 H 7.180 0.020 1 1645 185 187 PHE HD2 H 7.180 0.020 1 1646 185 187 PHE N N 118.439 0.3 1 1647 186 188 GLU C C 175.394 0.3 1 1648 186 188 GLU CA C 55.898 0.3 1 1649 186 188 GLU CB C 30.205 0.3 1 1650 186 188 GLU CG C 35.939 0.3 1 1651 186 188 GLU H H 8.055 0.020 1 1652 186 188 GLU HA H 4.663 0.020 1 1653 186 188 GLU HB2 H 1.944 0.020 2 1654 186 188 GLU HB3 H 2.005 0.020 2 1655 186 188 GLU HG2 H 2.293 0.020 2 1656 186 188 GLU HG3 H 2.182 0.020 2 1657 186 188 GLU N N 120.072 0.3 1 1658 187 189 ALA C C 176.169 0.3 1 1659 187 189 ALA CA C 50.192 0.3 1 1660 187 189 ALA CB C 23.208 0.3 1 1661 187 189 ALA H H 9.024 0.020 1 1662 187 189 ALA HA H 5.762 0.020 1 1663 187 189 ALA N N 127.697 0.3 1 1664 187 189 ALA HB H 1.224 0.020 1 1665 188 190 SER C C 172.648 0.3 1 1666 188 190 SER CA C 57.004 0.3 1 1667 188 190 SER CB C 65.403 0.3 1 1668 188 190 SER H H 8.739 0.020 1 1669 188 190 SER HA H 4.633 0.020 1 1670 188 190 SER HB2 H 3.763 0.020 2 1671 188 190 SER HB3 H 3.650 0.020 2 1672 188 190 SER N N 114.666 0.3 1 1673 189 191 VAL C C 176.263 0.3 1 1674 189 191 VAL CA C 63.602 0.3 1 1675 189 191 VAL CB C 31.649 0.3 1 1676 189 191 VAL CG1 C 20.996 0.3 1 1677 189 191 VAL CG2 C 20.816 0.3 1 1678 189 191 VAL H H 9.172 0.020 1 1679 189 191 VAL HA H 3.987 0.020 1 1680 189 191 VAL HB H 2.001 0.020 1 1681 189 191 VAL N N 126.008 0.3 1 1682 189 191 VAL HG1 H 0.890 0.020 2 1683 189 191 VAL HG2 H 0.827 0.020 2 1684 190 192 VAL C C 176.033 0.3 1 1685 190 192 VAL CA C 62.902 0.3 1 1686 190 192 VAL CB C 31.924 0.3 1 1687 190 192 VAL CG1 C 21.307 0.3 1 1688 190 192 VAL H H 9.057 0.020 1 1689 190 192 VAL HA H 4.092 0.020 1 1690 190 192 VAL HB H 2.029 0.020 1 1691 190 192 VAL N N 129.814 0.3 1 1692 190 192 VAL HG1 H 0.928 0.020 1 1693 191 193 SER C C 173.902 0.3 1 1694 191 193 SER CA C 57.801 0.3 1 1695 191 193 SER CB C 64.057 0.3 1 1696 191 193 SER H H 8.140 0.020 1 1697 191 193 SER HA H 4.632 0.020 1 1698 191 193 SER HB2 H 3.915 0.020 2 1699 191 193 SER HB3 H 3.841 0.020 2 1700 191 193 SER N N 116.583 0.3 1 1701 192 194 GLU C C 175.729 0.3 1 1702 192 194 GLU CA C 57.101 0.3 1 1703 192 194 GLU CB C 30.706 0.3 1 1704 192 194 GLU CG C 35.905 0.3 1 1705 192 194 GLU H H 8.728 0.020 1 1706 192 194 GLU HA H 4.596 0.020 1 1707 192 194 GLU HB2 H 2.138 0.020 2 1708 192 194 GLU HB3 H 2.046 0.020 2 1709 192 194 GLU HG2 H 2.285 0.020 1 1710 192 194 GLU HG3 H 2.285 0.020 1 1711 192 194 GLU N N 123.773 0.3 1 1712 193 195 SER C C 174.088 0.3 1 1713 193 195 SER CA C 57.709 0.3 1 1714 193 195 SER CB C 64.009 0.3 1 1715 193 195 SER H H 8.584 0.020 1 1716 193 195 SER HA H 4.644 0.020 1 1717 193 195 SER HB2 H 3.886 0.020 1 1718 193 195 SER HB3 H 3.886 0.020 1 1719 193 195 SER N N 116.410 0.3 1 1720 194 196 CYS C C 174.603 0.3 1 1721 194 196 CYS CA C 58.201 0.3 1 1722 194 196 CYS CB C 28.086 0.3 1 1723 194 196 CYS H H 8.541 0.020 1 1724 194 196 CYS HA H 4.738 0.020 1 1725 194 196 CYS HB2 H 2.981 0.020 1 1726 194 196 CYS HB3 H 2.981 0.020 1 1727 194 196 CYS N N 121.323 0.3 1 1728 195 197 SER C C 174.563 0.3 1 1729 195 197 SER CA C 58.262 0.3 1 1730 195 197 SER CB C 63.758 0.3 1 1731 195 197 SER H H 8.525 0.020 1 1732 195 197 SER HA H 4.543 0.020 1 1733 195 197 SER HB2 H 3.880 0.020 1 1734 195 197 SER HB3 H 3.880 0.020 1 1735 195 197 SER N N 119.503 0.3 1 1736 196 198 THR C C 173.915 0.3 1 1737 196 198 THR CA C 61.504 0.3 1 1738 196 198 THR CB C 69.502 0.3 1 1739 196 198 THR CG2 C 21.507 0.3 1 1740 196 198 THR H H 8.175 0.020 1 1741 196 198 THR HA H 4.348 0.020 1 1742 196 198 THR HB H 4.210 0.020 1 1743 196 198 THR N N 115.176 0.3 1 1744 196 198 THR HG2 H 1.176 0.020 1 1745 197 199 ASN C C 173.467 0.3 1 1746 197 199 ASN CA C 51.128 0.3 1 1747 197 199 ASN CB C 38.504 0.3 1 1748 197 199 ASN H H 8.392 0.020 1 1749 197 199 ASN HA H 4.979 0.020 1 1750 197 199 ASN HB2 H 2.850 0.020 2 1751 197 199 ASN HB3 H 2.693 0.020 2 1752 197 199 ASN N N 121.668 0.3 1 1753 197 199 ASN ND2 N 112.192 0.3 1 1754 198 200 PRO C C 177.070 0.3 1 1755 198 200 PRO CA C 63.300 0.3 1 1756 198 200 PRO CB C 31.800 0.3 1 1757 198 200 PRO CG C 26.929 0.3 1 1758 198 200 PRO CD C 50.487 0.3 1 1759 198 200 PRO HA H 4.418 0.020 1 1760 198 200 PRO HB2 H 2.294 0.020 2 1761 198 200 PRO HB3 H 1.950 0.020 2 1762 198 200 PRO HG2 H 2.009 0.020 1 1763 198 200 PRO HG3 H 2.009 0.020 1 1764 198 200 PRO HD2 H 3.756 0.020 2 1765 198 200 PRO HD3 H 3.817 0.020 2 1766 199 201 LEU C C 177.830 0.3 1 1767 199 201 LEU CA C 55.031 0.3 1 1768 199 201 LEU CB C 41.606 0.3 1 1769 199 201 LEU CD1 C 23.001 0.3 1 1770 199 201 LEU CD2 C 24.687 0.3 1 1771 199 201 LEU H H 8.248 0.020 1 1772 199 201 LEU HA H 4.330 0.020 1 1773 199 201 LEU HB2 H 1.633 0.020 1 1774 199 201 LEU HB3 H 1.633 0.020 1 1775 199 201 LEU N N 120.361 0.3 1 1776 199 201 LEU HD1 H 0.848 0.020 2 1777 199 201 LEU HD2 H 0.910 0.020 2 1778 200 202 GLY C C 173.533 0.3 1 1779 200 202 GLY CA C 45.043 0.3 1 1780 200 202 GLY H H 8.113 0.020 1 1781 200 202 GLY HA2 H 3.921 0.020 1 1782 200 202 GLY HA3 H 3.921 0.020 1 1783 200 202 GLY N N 108.366 0.3 1 1784 201 203 ASN C C 174.212 0.3 1 1785 201 203 ASN CA C 53.110 0.3 1 1786 201 203 ASN CB C 38.789 0.3 1 1787 201 203 ASN H H 8.261 0.020 1 1788 201 203 ASN HA H 4.771 0.020 1 1789 201 203 ASN HB2 H 2.707 0.020 2 1790 201 203 ASN HB3 H 2.802 0.020 2 1791 201 203 ASN HD21 H 7.598 0.020 1 1792 201 203 ASN HD22 H 6.912 0.020 1 1793 201 203 ASN N N 118.586 0.3 1 1794 201 203 ASN ND2 N 112.800 0.3 1 1795 202 204 HIS C C 178.707 0.3 1 1796 202 204 HIS CA C 57.194 0.3 1 1797 202 204 HIS CB C 29.600 0.3 1 1798 202 204 HIS H H 8.039 0.020 1 1799 202 204 HIS HA H 4.464 0.020 1 1800 202 204 HIS HB2 H 3.245 0.020 2 1801 202 204 HIS HB3 H 3.094 0.020 2 1802 202 204 HIS N N 123.752 0.3 1 stop_ save_