data_6950 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; domain 3 of RAP ; _BMRB_accession_number 6950 _BMRB_flat_file_name bmr6950.str _Entry_type original _Submission_date 2006-01-24 _Accession_date 2006-01-25 _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 Lee Donghan . . 2 Walsh Joseph . . 3 Mikhailenko Irina . . 4 Migliorini Molly . . 5 Yu Ping . . 6 Wu Yibing . . 7 Locket Stephen . . 8 Strickland Dudley . . 9 Wang Yun-Xing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 669 "13C chemical shifts" 487 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-13 original author . stop_ _Original_release_date 2007-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of domain 3 of the receptor-associated protein (RAP)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17016671 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Donghan . . 2 Walsh Joseph D. . 3 Yu Ping . . 4 Migliorini Molly . . 5 Wu Yibing . . 6 Strickland Dudley K. . 7 Wang Yun-Xing . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 56 _Page_last 56 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'domain 3 of RAP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'domain 3 of RAP' $domain_3_of_RAP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_domain_3_of_RAP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'domain 3 of RAP' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; RVSHQGYSTEAEFEEPRVID LWDLAQSANLTDKELEAFRE ELKHFEAKIEKHNHYQKQLE IAHEKLRHAESVGDGERVSR SREKHALLEGRTKELGYTVK KHLQDLSGRISRARHNEL ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 VAL 3 SER 4 HIS 5 GLN 6 GLY 7 TYR 8 SER 9 THR 10 GLU 11 ALA 12 GLU 13 PHE 14 GLU 15 GLU 16 PRO 17 ARG 18 VAL 19 ILE 20 ASP 21 LEU 22 TRP 23 ASP 24 LEU 25 ALA 26 GLN 27 SER 28 ALA 29 ASN 30 LEU 31 THR 32 ASP 33 LYS 34 GLU 35 LEU 36 GLU 37 ALA 38 PHE 39 ARG 40 GLU 41 GLU 42 LEU 43 LYS 44 HIS 45 PHE 46 GLU 47 ALA 48 LYS 49 ILE 50 GLU 51 LYS 52 HIS 53 ASN 54 HIS 55 TYR 56 GLN 57 LYS 58 GLN 59 LEU 60 GLU 61 ILE 62 ALA 63 HIS 64 GLU 65 LYS 66 LEU 67 ARG 68 HIS 69 ALA 70 GLU 71 SER 72 VAL 73 GLY 74 ASP 75 GLY 76 GLU 77 ARG 78 VAL 79 SER 80 ARG 81 SER 82 ARG 83 GLU 84 LYS 85 HIS 86 ALA 87 LEU 88 LEU 89 GLU 90 GLY 91 ARG 92 THR 93 LYS 94 GLU 95 LEU 96 GLY 97 TYR 98 THR 99 VAL 100 LYS 101 LYS 102 HIS 103 LEU 104 GLN 105 ASP 106 LEU 107 SER 108 GLY 109 ARG 110 ILE 111 SER 112 ARG 113 ALA 114 ARG 115 HIS 116 ASN 117 GLU 118 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16454 RBD 100.00 357 100.00 100.00 3.06e-74 PDB 2FCW "Structure Of A Complex Between The Pair Of The Ldl Receptor Ligand-Binding Modules 3-4 And The Receptor Associated Protein (Rap" 91.53 109 100.00 100.00 2.87e-69 PDB 2FTU "Solution Structure Of Domain 3 Of Rap" 100.00 118 100.00 100.00 2.03e-77 PDB 2P01 "The Structure Of Receptor-Associated Protein(Rap)" 100.00 323 100.00 100.00 1.07e-74 PDB 2P03 "The Structure Of Receptor-Associated Protein(Rap)" 100.00 323 100.00 100.00 1.07e-74 DBJ BAD96224 "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" 100.00 357 100.00 100.00 2.69e-74 DBJ BAD96247 "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" 100.00 357 99.15 99.15 1.69e-73 DBJ BAE87201 "unnamed protein product [Macaca fascicularis]" 100.00 358 97.46 97.46 2.09e-71 DBJ BAF85010 "unnamed protein product [Homo sapiens]" 100.00 357 99.15 99.15 2.89e-73 DBJ BAG35576 "unnamed protein product [Homo sapiens]" 100.00 357 99.15 99.15 2.83e-73 EMBL CAH90295 "hypothetical protein [Pongo abelii]" 100.00 358 99.15 99.15 3.28e-73 GB AAA51553 "alpha-2-macroglobulin receptor-associated protein [Homo sapiens]" 100.00 357 100.00 100.00 2.81e-74 GB AAC67373 "lipoprotein receptor associated protein [Homo sapiens]" 100.00 357 100.00 100.00 2.81e-74 GB AAI05075 "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" 100.00 357 100.00 100.00 2.81e-74 GB AAI12068 "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" 100.00 357 100.00 100.00 2.81e-74 GB AAY18903 "lipoprotein receptor associated protein; alpha-2-macroglobulin receptor-associated protein [synthetic construct]" 100.00 381 100.00 100.00 1.25e-73 REF NP_001125136 "alpha-2-macroglobulin receptor-associated protein precursor [Pongo abelii]" 100.00 358 99.15 99.15 3.28e-73 REF NP_001233320 "alpha-2-macroglobulin receptor-associated protein precursor [Pan troglodytes]" 100.00 357 99.15 99.15 2.09e-73 REF NP_002328 "alpha-2-macroglobulin receptor-associated protein precursor [Homo sapiens]" 100.00 357 100.00 100.00 2.81e-74 REF XP_001085674 "PREDICTED: alpha-2-macroglobulin receptor-associated protein [Macaca mulatta]" 100.00 358 98.31 98.31 1.84e-72 REF XP_003279069 "PREDICTED: alpha-2-macroglobulin receptor-associated protein [Nomascus leucogenys]" 100.00 460 99.15 99.15 2.67e-72 SP P30533 "RecName: Full=Alpha-2-macroglobulin receptor-associated protein; Short=Alpha-2-MRAP; AltName: Full=Low density lipoprotein rece" 100.00 357 100.00 100.00 2.81e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $domain_3_of_RAP 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 $domain_3_of_RAP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $domain_3_of_RAP 1.0 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_15N-resolved_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved NOESY' _Sample_label $sample_1 save_ save_13C-resolved_NOESYs_for_aliphatic_and_aromatic_carbons_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-resolved NOESYs for aliphatic and aromatic carbons' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.25 . pH temperature 303 0.3 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'domain 3 of RAP' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ARG HA H 4.350 0.020 1 2 1 1 ARG HB2 H 1.800 0.020 2 3 1 1 ARG HB3 H 1.715 0.020 2 4 1 1 ARG HG2 H 1.588 0.020 2 5 1 1 ARG HG3 H 1.535 0.020 2 6 1 1 ARG HD2 H 3.144 0.020 1 7 1 1 ARG HD3 H 3.144 0.020 1 8 1 1 ARG CA C 56.108 0.400 1 9 1 1 ARG CB C 30.591 0.400 1 10 1 1 ARG CG C 27.100 0.400 1 11 1 1 ARG CD C 43.101 0.400 1 12 2 2 VAL H H 8.221 0.020 1 13 2 2 VAL HA H 4.088 0.020 1 14 2 2 VAL HB H 1.988 0.020 1 15 2 2 VAL HG1 H 0.818 0.020 2 16 2 2 VAL HG2 H 0.830 0.020 2 17 2 2 VAL C C 176.061 0.400 1 18 2 2 VAL CA C 61.972 0.400 1 19 2 2 VAL CB C 32.493 0.400 1 20 2 2 VAL CG1 C 26.571 0.400 1 21 2 2 VAL CG2 C 21.097 0.400 1 22 2 2 VAL N N 121.444 0.400 1 23 3 3 SER H H 8.295 0.020 1 24 3 3 SER HA H 4.668 0.020 1 25 3 3 SER HB2 H 4.303 0.020 1 26 3 3 SER HB3 H 4.303 0.020 1 27 3 3 SER CA C 57.715 0.400 1 28 3 3 SER CB C 63.961 0.400 1 29 3 3 SER N N 119.341 0.400 1 30 4 4 HIS HA H 4.578 0.020 1 31 4 4 HIS HB2 H 3.091 0.020 2 32 4 4 HIS HB3 H 3.039 0.020 2 33 4 4 HIS HD2 H 6.980 0.020 1 34 4 4 HIS C C 175.311 0.400 1 35 4 4 HIS CA C 56.328 0.400 1 36 4 4 HIS CB C 30.332 0.400 1 37 5 5 GLN HA H 4.289 0.020 1 38 5 5 GLN HB2 H 2.066 0.020 2 39 5 5 GLN HB3 H 1.872 0.020 2 40 5 5 GLN HG2 H 2.216 0.020 1 41 5 5 GLN HG3 H 2.216 0.020 1 42 5 5 GLN C C 176.181 0.400 1 43 5 5 GLN CA C 56.320 0.400 1 44 5 5 GLN CB C 30.104 0.400 1 45 5 5 GLN CG C 33.408 0.400 1 46 6 6 GLY H H 8.413 0.020 1 47 6 6 GLY HA2 H 3.905 0.020 2 48 6 6 GLY HA3 H 3.807 0.020 2 49 6 6 GLY C C 173.701 0.400 1 50 6 6 GLY CA C 44.994 0.400 1 51 6 6 GLY N N 110.136 0.400 1 52 7 7 TYR H H 7.996 0.020 1 53 7 7 TYR HA H 4.581 0.020 1 54 7 7 TYR HB2 H 3.024 0.020 2 55 7 7 TYR HB3 H 2.904 0.020 2 56 7 7 TYR HD1 H 7.077 0.020 1 57 7 7 TYR HD2 H 7.077 0.020 1 58 7 7 TYR HE1 H 6.804 0.020 1 59 7 7 TYR HE2 H 6.804 0.020 1 60 7 7 TYR C C 175.801 0.400 1 61 7 7 TYR CA C 57.638 0.400 1 62 7 7 TYR CB C 38.834 0.400 1 63 7 7 TYR CD1 C 133.455 0.400 1 64 7 7 TYR N N 119.912 0.400 1 65 8 8 SER H H 8.331 0.020 1 66 8 8 SER HA H 4.495 0.020 1 67 8 8 SER HB2 H 3.762 0.020 2 68 8 8 SER HB3 H 3.823 0.020 2 69 8 8 SER C C 174.681 0.400 1 70 8 8 SER CA C 57.907 0.400 1 71 8 8 SER CB C 63.647 0.400 1 72 8 8 SER N N 117.685 0.400 1 73 9 9 THR H H 8.237 0.020 1 74 9 9 THR HA H 4.294 0.020 1 75 9 9 THR HB H 4.253 0.020 1 76 9 9 THR HG2 H 1.167 0.020 1 77 9 9 THR C C 174.521 0.400 1 78 9 9 THR CA C 61.745 0.400 1 79 9 9 THR CB C 69.317 0.400 1 80 9 9 THR CG2 C 21.593 0.400 1 81 9 9 THR N N 115.845 0.400 1 82 10 10 GLU H H 8.279 0.020 1 83 10 10 GLU HA H 4.223 0.020 1 84 10 10 GLU HB2 H 1.967 0.020 2 85 10 10 GLU HB3 H 1.832 0.020 2 86 10 10 GLU HG2 H 2.193 0.020 1 87 10 10 GLU HG3 H 2.193 0.020 1 88 10 10 GLU C C 175.861 0.400 1 89 10 10 GLU CA C 56.288 0.400 1 90 10 10 GLU CB C 29.403 0.400 1 91 10 10 GLU CG C 36.010 0.400 1 92 10 10 GLU N N 122.649 0.400 1 93 11 11 ALA H H 8.198 0.020 1 94 11 11 ALA HA H 4.157 0.020 1 95 11 11 ALA HB H 1.157 0.020 1 96 11 11 ALA C C 177.081 0.400 1 97 11 11 ALA CA C 51.835 0.400 1 98 11 11 ALA CB C 19.452 0.400 1 99 11 11 ALA N N 125.017 0.400 1 100 12 12 GLU H H 8.215 0.020 1 101 12 12 GLU HA H 3.935 0.020 1 102 12 12 GLU HB2 H 1.620 0.020 2 103 12 12 GLU HB3 H 1.645 0.020 2 104 12 12 GLU HG2 H 1.900 0.020 2 105 12 12 GLU HG3 H 1.827 0.020 2 106 12 12 GLU C C 175.741 0.400 1 107 12 12 GLU CA C 56.320 0.400 1 108 12 12 GLU CB C 30.314 0.400 1 109 12 12 GLU CG C 35.775 0.400 1 110 12 12 GLU N N 120.759 0.400 1 111 13 13 PHE H H 7.577 0.020 1 112 13 13 PHE HA H 4.828 0.020 1 113 13 13 PHE HB2 H 3.111 0.020 2 114 13 13 PHE HB3 H 2.532 0.020 2 115 13 13 PHE HD1 H 7.089 0.020 1 116 13 13 PHE HD2 H 7.089 0.020 1 117 13 13 PHE HE1 H 6.277 0.020 1 118 13 13 PHE HE2 H 6.277 0.020 1 119 13 13 PHE HZ H 6.847 0.020 1 120 13 13 PHE C C 174.611 0.400 1 121 13 13 PHE CA C 57.268 0.400 1 122 13 13 PHE CB C 40.978 0.400 1 123 13 13 PHE CD1 C 132.128 0.400 1 124 13 13 PHE CE1 C 130.346 0.400 1 125 13 13 PHE CZ C 130.000 0.400 1 126 13 13 PHE N N 118.695 0.400 1 127 14 14 GLU HA H 4.502 0.020 1 128 14 14 GLU HB2 H 2.017 0.020 2 129 14 14 GLU HB3 H 1.847 0.020 2 130 14 14 GLU HG2 H 2.126 0.020 2 131 14 14 GLU HG3 H 2.223 0.020 2 132 14 14 GLU C C 176.351 0.400 1 133 14 14 GLU CA C 56.561 0.400 1 134 14 14 GLU CB C 32.927 0.400 1 135 14 14 GLU CG C 36.262 0.400 1 136 15 15 GLU H H 8.608 0.020 1 137 15 15 GLU HA H 4.517 0.020 1 138 15 15 GLU HB2 H 2.140 0.020 2 139 15 15 GLU HB3 H 2.018 0.020 2 140 15 15 GLU HG2 H 2.444 0.020 2 141 15 15 GLU HG3 H 2.389 0.020 2 142 15 15 GLU CA C 55.137 0.400 1 143 15 15 GLU CB C 27.498 0.400 1 144 15 15 GLU CG C 37.441 0.400 1 145 15 15 GLU N N 126.263 0.400 1 146 16 16 PRO HA H 4.107 0.020 1 147 16 16 PRO HB2 H 1.980 0.020 2 148 16 16 PRO HB3 H 2.400 0.020 2 149 16 16 PRO HG2 H 2.010 0.020 2 150 16 16 PRO HG3 H 2.139 0.020 2 151 16 16 PRO HD2 H 3.733 0.020 2 152 16 16 PRO HD3 H 4.150 0.020 2 153 16 16 PRO C C 178.281 0.400 1 154 16 16 PRO CA C 66.040 0.400 1 155 16 16 PRO CB C 32.474 0.400 1 156 16 16 PRO CG C 27.502 0.400 1 157 16 16 PRO CD C 51.116 0.400 1 158 17 17 ARG H H 9.083 0.020 1 159 17 17 ARG HA H 4.231 0.020 1 160 17 17 ARG HB2 H 1.921 0.020 2 161 17 17 ARG HB3 H 1.802 0.020 2 162 17 17 ARG HD2 H 3.387 0.020 1 163 17 17 ARG HD3 H 3.387 0.020 1 164 17 17 ARG C C 179.081 0.400 1 165 17 17 ARG CA C 58.688 0.400 1 166 17 17 ARG CB C 30.921 0.400 1 167 17 17 ARG N N 115.936 0.400 1 168 18 18 VAL H H 7.622 0.020 1 169 18 18 VAL HA H 3.518 0.020 1 170 18 18 VAL HB H 2.270 0.020 1 171 18 18 VAL HG1 H 0.817 0.020 2 172 18 18 VAL HG2 H 0.425 0.020 2 173 18 18 VAL C C 177.061 0.400 1 174 18 18 VAL CA C 66.015 0.400 1 175 18 18 VAL CB C 31.480 0.400 1 176 18 18 VAL CG1 C 23.714 0.400 1 177 18 18 VAL CG2 C 23.486 0.400 1 178 18 18 VAL N N 120.037 0.400 1 179 19 19 ILE H H 8.198 0.020 1 180 19 19 ILE HA H 3.520 0.020 1 181 19 19 ILE HB H 1.719 0.020 1 182 19 19 ILE HG12 H 0.557 0.020 1 183 19 19 ILE HG13 H 0.557 0.020 1 184 19 19 ILE HG2 H 1.094 0.020 1 185 19 19 ILE HD1 H 0.075 0.020 1 186 19 19 ILE C C 178.291 0.400 1 187 19 19 ILE CA C 65.533 0.400 1 188 19 19 ILE CB C 38.132 0.400 1 189 19 19 ILE CG1 C 28.915 0.400 1 190 19 19 ILE CG2 C 28.903 0.400 1 191 19 19 ILE CD1 C 13.392 0.400 1 192 19 19 ILE N N 120.733 0.400 1 193 20 20 ASP H H 7.891 0.020 1 194 20 20 ASP HA H 4.454 0.020 1 195 20 20 ASP HB2 H 2.635 0.020 2 196 20 20 ASP HB3 H 2.734 0.020 2 197 20 20 ASP C C 178.911 0.400 1 198 20 20 ASP CA C 57.501 0.400 1 199 20 20 ASP CB C 40.490 0.400 1 200 20 20 ASP N N 118.031 0.400 1 201 21 21 LEU H H 7.382 0.020 1 202 21 21 LEU HA H 4.097 0.020 1 203 21 21 LEU HB2 H 2.135 0.020 2 204 21 21 LEU HB3 H 1.398 0.020 2 205 21 21 LEU HG H 1.969 0.020 1 206 21 21 LEU HD1 H 0.864 0.020 2 207 21 21 LEU HD2 H 0.742 0.020 2 208 21 21 LEU C C 178.281 0.400 1 209 21 21 LEU CA C 57.981 0.400 1 210 21 21 LEU CB C 42.876 0.400 1 211 21 21 LEU CG C 27.267 0.400 1 212 21 21 LEU CD1 C 23.261 0.400 1 213 21 21 LEU CD2 C 23.485 0.400 1 214 21 21 LEU N N 119.715 0.400 1 215 22 22 TRP H H 8.581 0.020 1 216 22 22 TRP HA H 4.795 0.020 1 217 22 22 TRP HB2 H 3.477 0.020 2 218 22 22 TRP HB3 H 3.069 0.020 2 219 22 22 TRP HD1 H 7.548 0.020 1 220 22 22 TRP HE1 H 10.228 0.020 1 221 22 22 TRP HZ2 H 7.228 0.020 1 222 22 22 TRP HH2 H 7.102 0.020 1 223 22 22 TRP C C 178.411 0.400 1 224 22 22 TRP CA C 58.367 0.400 1 225 22 22 TRP CB C 30.291 0.400 1 226 22 22 TRP CD1 C 128.261 0.400 1 227 22 22 TRP N N 121.333 0.400 1 228 22 22 TRP NE1 N 129.721 0.400 1 229 23 23 ASP H H 8.603 0.020 1 230 23 23 ASP HA H 4.215 0.020 1 231 23 23 ASP HB2 H 2.814 0.020 2 232 23 23 ASP HB3 H 2.631 0.020 2 233 23 23 ASP C C 179.971 0.400 1 234 23 23 ASP CA C 57.650 0.400 1 235 23 23 ASP CB C 40.458 0.400 1 236 23 23 ASP N N 120.531 0.400 1 237 24 24 LEU H H 8.018 0.020 1 238 24 24 LEU HA H 3.940 0.020 1 239 24 24 LEU HB2 H 1.873 0.020 2 240 24 24 LEU HB3 H 1.465 0.020 2 241 24 24 LEU HG H 1.672 0.020 1 242 24 24 LEU HD1 H 0.824 0.020 2 243 24 24 LEU HD2 H 0.785 0.020 2 244 24 24 LEU C C 180.041 0.400 1 245 24 24 LEU CA C 57.507 0.400 1 246 24 24 LEU CB C 41.919 0.400 1 247 24 24 LEU CG C 26.810 0.400 1 248 24 24 LEU CD1 C 24.671 0.400 1 249 24 24 LEU CD2 C 23.482 0.400 1 250 24 24 LEU N N 121.376 0.400 1 251 25 25 ALA H H 8.437 0.020 1 252 25 25 ALA HA H 3.569 0.020 1 253 25 25 ALA HB H 1.125 0.020 1 254 25 25 ALA C C 179.111 0.400 1 255 25 25 ALA CA C 54.827 0.400 1 256 25 25 ALA CB C 17.495 0.400 1 257 25 25 ALA N N 122.172 0.400 1 258 26 26 GLN H H 7.602 0.020 1 259 26 26 GLN HA H 3.632 0.020 1 260 26 26 GLN HB2 H 1.978 0.020 2 261 26 26 GLN HB3 H 1.680 0.020 2 262 26 26 GLN HG2 H 1.943 0.020 2 263 26 26 GLN HG3 H 1.800 0.020 2 264 26 26 GLN HE21 H 5.696 0.020 1 265 26 26 GLN HE22 H 5.696 0.020 1 266 26 26 GLN C C 176.991 0.400 1 267 26 26 GLN CA C 57.756 0.400 1 268 26 26 GLN CB C 29.293 0.400 1 269 26 26 GLN CG C 34.290 0.400 1 270 26 26 GLN N N 113.428 0.400 1 271 26 26 GLN NE2 N 110.493 0.400 1 272 27 27 SER H H 7.423 0.020 1 273 27 27 SER HA H 4.584 0.020 1 274 27 27 SER HB2 H 3.938 0.020 2 275 27 27 SER HB3 H 3.864 0.020 2 276 27 27 SER C C 173.821 0.400 1 277 27 27 SER CA C 57.979 0.400 1 278 27 27 SER CB C 63.651 0.400 1 279 27 27 SER N N 112.397 0.400 1 280 28 28 ALA H H 7.185 0.020 1 281 28 28 ALA HA H 4.320 0.020 1 282 28 28 ALA HB H 1.308 0.020 1 283 28 28 ALA C C 175.481 0.400 1 284 28 28 ALA CA C 51.610 0.400 1 285 28 28 ALA CB C 19.013 0.400 1 286 28 28 ALA N N 123.993 0.400 1 287 29 29 ASN H H 8.288 0.020 1 288 29 29 ASN HA H 4.478 0.020 1 289 29 29 ASN HB2 H 2.936 0.020 2 290 29 29 ASN HB3 H 2.635 0.020 2 291 29 29 ASN HD21 H 6.797 0.020 2 292 29 29 ASN HD22 H 7.496 0.020 2 293 29 29 ASN C C 174.591 0.400 1 294 29 29 ASN CA C 53.328 0.400 1 295 29 29 ASN CB C 36.701 0.400 1 296 29 29 ASN N N 117.079 0.400 1 297 29 29 ASN ND2 N 112.580 0.400 1 298 30 30 LEU H H 8.215 0.020 1 299 30 30 LEU HA H 4.557 0.020 1 300 30 30 LEU HB2 H 1.598 0.020 2 301 30 30 LEU HB3 H 1.654 0.020 2 302 30 30 LEU HG H 1.521 0.020 1 303 30 30 LEU HD1 H 0.667 0.020 2 304 30 30 LEU HD2 H 0.723 0.020 2 305 30 30 LEU C C 178.481 0.400 1 306 30 30 LEU CA C 53.980 0.400 1 307 30 30 LEU CB C 43.087 0.400 1 308 30 30 LEU CG C 27.260 0.400 1 309 30 30 LEU CD1 C 25.621 0.400 1 310 30 30 LEU CD2 C 22.780 0.400 1 311 30 30 LEU N N 120.245 0.400 1 312 31 31 THR H H 8.942 0.020 1 313 31 31 THR HA H 4.422 0.020 1 314 31 31 THR HB H 4.748 0.020 1 315 31 31 THR HG2 H 1.356 0.020 1 316 31 31 THR C C 175.021 0.400 1 317 31 31 THR CA C 61.020 0.400 1 318 31 31 THR CB C 70.805 0.400 1 319 31 31 THR CG2 C 21.597 0.400 1 320 31 31 THR N N 112.983 0.400 1 321 32 32 ASP H H 8.867 0.020 1 322 32 32 ASP HA H 4.376 0.020 1 323 32 32 ASP HB2 H 2.790 0.020 2 324 32 32 ASP HB3 H 2.689 0.020 2 325 32 32 ASP C C 179.201 0.400 1 326 32 32 ASP CA C 57.918 0.400 1 327 32 32 ASP CB C 39.318 0.400 1 328 32 32 ASP N N 120.946 0.400 1 329 33 33 LYS H H 8.381 0.020 1 330 33 33 LYS HA H 4.114 0.020 1 331 33 33 LYS HB2 H 1.812 0.020 2 332 33 33 LYS HB3 H 1.564 0.020 2 333 33 33 LYS HE2 H 3.186 0.020 1 334 33 33 LYS HE3 H 3.186 0.020 1 335 33 33 LYS C C 180.051 0.400 1 336 33 33 LYS CA C 58.675 0.400 1 337 33 33 LYS CB C 31.785 0.400 1 338 33 33 LYS CD C 28.940 0.400 1 339 33 33 LYS CE C 42.160 0.400 1 340 33 33 LYS N N 119.558 0.400 1 341 34 34 GLU H H 7.794 0.020 1 342 34 34 GLU HA H 4.040 0.020 1 343 34 34 GLU HB2 H 2.400 0.020 2 344 34 34 GLU HB3 H 1.930 0.020 2 345 34 34 GLU HG2 H 2.343 0.020 2 346 34 34 GLU HG3 H 2.244 0.020 2 347 34 34 GLU C C 179.981 0.400 1 348 34 34 GLU CA C 58.565 0.400 1 349 34 34 GLU CB C 30.113 0.400 1 350 34 34 GLU CG C 37.414 0.400 1 351 34 34 GLU N N 120.949 0.400 1 352 35 35 LEU H H 8.968 0.020 1 353 35 35 LEU HA H 4.240 0.020 1 354 35 35 LEU HB2 H 1.741 0.020 2 355 35 35 LEU HB3 H 1.963 0.020 2 356 35 35 LEU HG H 1.845 0.020 1 357 35 35 LEU HD1 H 0.738 0.020 2 358 35 35 LEU HD2 H 0.802 0.020 2 359 35 35 LEU C C 178.821 0.400 1 360 35 35 LEU CA C 57.831 0.400 1 361 35 35 LEU CB C 41.674 0.400 1 362 35 35 LEU CG C 26.825 0.400 1 363 35 35 LEU CD1 C 24.905 0.400 1 364 35 35 LEU CD2 C 24.906 0.400 1 365 35 35 LEU N N 122.986 0.400 1 366 36 36 GLU H H 8.158 0.020 1 367 36 36 GLU HA H 4.265 0.020 1 368 36 36 GLU HB2 H 2.160 0.020 1 369 36 36 GLU HB3 H 2.160 0.020 1 370 36 36 GLU HG2 H 2.397 0.020 1 371 36 36 GLU HG3 H 2.397 0.020 1 372 36 36 GLU C C 179.031 0.400 1 373 36 36 GLU CA C 58.733 0.400 1 374 36 36 GLU CB C 28.529 0.400 1 375 36 36 GLU CG C 36.060 0.400 1 376 36 36 GLU N N 119.284 0.400 1 377 37 37 ALA H H 7.796 0.020 1 378 37 37 ALA HA H 4.284 0.020 1 379 37 37 ALA HB H 1.521 0.020 1 380 37 37 ALA C C 181.031 0.400 1 381 37 37 ALA CA C 54.886 0.400 1 382 37 37 ALA CB C 17.674 0.400 1 383 37 37 ALA N N 121.691 0.400 1 384 38 38 PHE H H 8.458 0.020 1 385 38 38 PHE HA H 4.341 0.020 1 386 38 38 PHE HB2 H 3.265 0.020 2 387 38 38 PHE HB3 H 3.353 0.020 2 388 38 38 PHE HD1 H 7.240 0.020 1 389 38 38 PHE HD2 H 7.240 0.020 1 390 38 38 PHE HE1 H 7.175 0.020 1 391 38 38 PHE HE2 H 7.175 0.020 1 392 38 38 PHE HZ H 6.837 0.020 1 393 38 38 PHE C C 177.201 0.400 1 394 38 38 PHE CA C 61.755 0.400 1 395 38 38 PHE CB C 39.217 0.400 1 396 38 38 PHE CD1 C 131.420 0.400 1 397 38 38 PHE CE1 C 132.238 0.400 1 398 38 38 PHE CZ C 129.559 0.400 1 399 38 38 PHE N N 120.809 0.400 1 400 39 39 ARG H H 8.980 0.020 1 401 39 39 ARG HA H 3.563 0.020 1 402 39 39 ARG HB2 H 2.110 0.020 2 403 39 39 ARG HB3 H 2.050 0.020 2 404 39 39 ARG HD2 H 2.925 0.020 1 405 39 39 ARG HD3 H 2.925 0.020 1 406 39 39 ARG C C 178.401 0.400 1 407 39 39 ARG CA C 60.055 0.400 1 408 39 39 ARG CB C 29.075 0.400 1 409 39 39 ARG CG C 27.520 0.400 1 410 39 39 ARG N N 120.848 0.400 1 411 40 40 GLU H H 7.704 0.020 1 412 40 40 GLU HA H 3.957 0.020 1 413 40 40 GLU HB2 H 1.513 0.020 1 414 40 40 GLU HB3 H 1.513 0.020 1 415 40 40 GLU HG2 H 2.326 0.020 2 416 40 40 GLU HG3 H 2.170 0.020 2 417 40 40 GLU C C 179.151 0.400 1 418 40 40 GLU CA C 58.916 0.400 1 419 40 40 GLU CB C 28.638 0.400 1 420 40 40 GLU CG C 36.090 0.400 1 421 40 40 GLU N N 116.864 0.400 1 422 41 41 GLU H H 7.931 0.020 1 423 41 41 GLU HA H 4.119 0.020 1 424 41 41 GLU HB3 H 2.073 0.020 2 425 41 41 GLU HG2 H 2.503 0.020 2 426 41 41 GLU HG3 H 2.235 0.020 2 427 41 41 GLU C C 180.251 0.400 1 428 41 41 GLU CA C 59.415 0.400 1 429 41 41 GLU CB C 28.693 0.400 1 430 41 41 GLU CG C 36.754 0.400 1 431 41 41 GLU N N 120.062 0.400 1 432 42 42 LEU H H 8.742 0.020 1 433 42 42 LEU HA H 3.942 0.020 1 434 42 42 LEU HB2 H 1.839 0.020 2 435 42 42 LEU HB3 H 1.459 0.020 2 436 42 42 LEU HG H 1.690 0.020 1 437 42 42 LEU HD1 H 0.689 0.020 2 438 42 42 LEU HD2 H 0.823 0.020 2 439 42 42 LEU C C 177.101 0.400 1 440 42 42 LEU CA C 57.329 0.400 1 441 42 42 LEU CB C 41.428 0.400 1 442 42 42 LEU CG C 26.580 0.400 1 443 42 42 LEU CD1 C 24.192 0.400 1 444 42 42 LEU CD2 C 26.535 0.400 1 445 42 42 LEU N N 120.827 0.400 1 446 43 43 LYS H H 8.068 0.020 1 447 43 43 LYS HA H 4.178 0.020 1 448 43 43 LYS HB2 H 2.050 0.020 2 449 43 43 LYS HB3 H 1.910 0.020 2 450 43 43 LYS HG2 H 1.624 0.020 1 451 43 43 LYS HG3 H 1.624 0.020 1 452 43 43 LYS C C 180.191 0.400 1 453 43 43 LYS CA C 58.954 0.400 1 454 43 43 LYS CB C 31.831 0.400 1 455 43 43 LYS CG C 24.790 0.400 1 456 43 43 LYS CD C 29.180 0.400 1 457 43 43 LYS CE C 41.940 0.400 1 458 43 43 LYS N N 120.472 0.400 1 459 44 44 HIS H H 7.711 0.020 1 460 44 44 HIS HA H 4.509 0.020 1 461 44 44 HIS HB2 H 3.360 0.020 2 462 44 44 HIS HB3 H 3.256 0.020 2 463 44 44 HIS HD2 H 7.142 0.020 1 464 44 44 HIS C C 178.411 0.400 1 465 44 44 HIS CA C 58.698 0.400 1 466 44 44 HIS CB C 29.877 0.400 1 467 44 44 HIS N N 119.539 0.400 1 468 45 45 PHE H H 8.604 0.020 1 469 45 45 PHE HA H 4.481 0.020 1 470 45 45 PHE HB2 H 3.090 0.020 1 471 45 45 PHE HB3 H 3.090 0.020 1 472 45 45 PHE HD1 H 7.040 0.020 1 473 45 45 PHE HD2 H 7.040 0.020 1 474 45 45 PHE HE1 H 7.193 0.020 1 475 45 45 PHE HE2 H 7.193 0.020 1 476 45 45 PHE HZ H 6.827 0.020 1 477 45 45 PHE C C 176.861 0.400 1 478 45 45 PHE CA C 59.163 0.400 1 479 45 45 PHE CB C 39.001 0.400 1 480 45 45 PHE CD1 C 131.059 0.400 1 481 45 45 PHE CE1 C 130.523 0.400 1 482 45 45 PHE CZ C 129.747 0.400 1 483 45 45 PHE N N 122.228 0.400 1 484 46 46 GLU H H 9.022 0.020 1 485 46 46 GLU HA H 3.456 0.020 1 486 46 46 GLU HB2 H 2.260 0.020 2 487 46 46 GLU HB3 H 2.400 0.020 2 488 46 46 GLU HG2 H 2.136 0.020 2 489 46 46 GLU HG3 H 2.378 0.020 2 490 46 46 GLU C C 178.061 0.400 1 491 46 46 GLU CA C 60.326 0.400 1 492 46 46 GLU CB C 29.961 0.400 1 493 46 46 GLU CG C 37.896 0.400 1 494 46 46 GLU N N 120.737 0.400 1 495 47 47 ALA H H 7.529 0.020 1 496 47 47 ALA HA H 4.258 0.020 1 497 47 47 ALA HB H 1.568 0.020 1 498 47 47 ALA C C 180.951 0.400 1 499 47 47 ALA CA C 54.827 0.400 1 500 47 47 ALA CB C 17.805 0.400 1 501 47 47 ALA N N 119.431 0.400 1 502 48 48 LYS H H 7.790 0.020 1 503 48 48 LYS HA H 4.092 0.020 1 504 48 48 LYS HB2 H 1.580 0.020 2 505 48 48 LYS HB3 H 2.000 0.020 2 506 48 48 LYS HE2 H 3.493 0.020 1 507 48 48 LYS HE3 H 3.493 0.020 1 508 48 48 LYS C C 178.731 0.400 1 509 48 48 LYS CA C 59.074 0.400 1 510 48 48 LYS CB C 32.301 0.400 1 511 48 48 LYS CG C 25.350 0.400 1 512 48 48 LYS CE C 42.040 0.400 1 513 48 48 LYS N N 120.875 0.400 1 514 49 49 ILE H H 7.920 0.020 1 515 49 49 ILE HA H 4.122 0.020 1 516 49 49 ILE HB H 1.796 0.020 1 517 49 49 ILE HG12 H 0.965 0.020 2 518 49 49 ILE HG13 H 1.471 0.020 2 519 49 49 ILE HG2 H 0.998 0.020 1 520 49 49 ILE HD1 H 0.725 0.020 1 521 49 49 ILE C C 178.021 0.400 1 522 49 49 ILE CA C 66.041 0.400 1 523 49 49 ILE CB C 38.304 0.400 1 524 49 49 ILE CG1 C 30.086 0.400 1 525 49 49 ILE CG2 C 17.095 0.400 1 526 49 49 ILE CD1 C 13.798 0.400 1 527 49 49 ILE N N 121.109 0.400 1 528 50 50 GLU H H 8.221 0.020 1 529 50 50 GLU HA H 4.081 0.020 1 530 50 50 GLU HB2 H 1.707 0.020 2 531 50 50 GLU HB3 H 2.000 0.020 2 532 50 50 GLU HG2 H 2.180 0.020 1 533 50 50 GLU HG3 H 2.180 0.020 1 534 50 50 GLU C C 179.521 0.400 1 535 50 50 GLU CA C 59.242 0.400 1 536 50 50 GLU CB C 29.291 0.400 1 537 50 50 GLU CG C 36.310 0.400 1 538 50 50 GLU N N 119.709 0.400 1 539 51 51 LYS H H 7.907 0.020 1 540 51 51 LYS HA H 4.161 0.020 1 541 51 51 LYS HB2 H 2.000 0.020 1 542 51 51 LYS HB3 H 2.000 0.020 1 543 51 51 LYS HE2 H 3.493 0.020 1 544 51 51 LYS HE3 H 3.493 0.020 1 545 51 51 LYS C C 178.191 0.400 1 546 51 51 LYS CA C 58.998 0.400 1 547 51 51 LYS CB C 31.205 0.400 1 548 51 51 LYS CG C 24.880 0.400 1 549 51 51 LYS CD C 29.330 0.400 1 550 51 51 LYS CE C 41.850 0.400 1 551 51 51 LYS N N 121.102 0.400 1 552 52 52 HIS H H 8.523 0.020 1 553 52 52 HIS HA H 4.273 0.020 1 554 52 52 HIS HB2 H 3.520 0.020 2 555 52 52 HIS HB3 H 3.026 0.020 2 556 52 52 HIS HD2 H 7.036 0.020 1 557 52 52 HIS C C 177.301 0.400 1 558 52 52 HIS CA C 60.343 0.400 1 559 52 52 HIS CB C 31.198 0.400 1 560 52 52 HIS CD2 C 120.063 0.400 1 561 52 52 HIS N N 120.534 0.400 1 562 53 53 ASN H H 8.983 0.020 1 563 53 53 ASN HA H 4.276 0.020 1 564 53 53 ASN HB2 H 3.011 0.020 2 565 53 53 ASN HB3 H 2.784 0.020 2 566 53 53 ASN HD21 H 7.009 0.020 2 567 53 53 ASN HD22 H 7.653 0.020 2 568 53 53 ASN C C 178.181 0.400 1 569 53 53 ASN CA C 55.846 0.400 1 570 53 53 ASN CB C 37.193 0.400 1 571 53 53 ASN N N 118.493 0.400 1 572 53 53 ASN ND2 N 112.169 0.400 1 573 54 54 HIS H H 8.391 0.020 1 574 54 54 HIS HA H 4.372 0.020 1 575 54 54 HIS HB2 H 3.214 0.020 2 576 54 54 HIS HB3 H 3.413 0.020 2 577 54 54 HIS HD2 H 6.484 0.020 1 578 54 54 HIS C C 178.331 0.400 1 579 54 54 HIS CA C 59.630 0.400 1 580 54 54 HIS CB C 30.016 0.400 1 581 54 54 HIS N N 121.997 0.400 1 582 55 55 TYR H H 8.640 0.020 1 583 55 55 TYR HA H 3.962 0.020 1 584 55 55 TYR HB2 H 3.593 0.020 2 585 55 55 TYR HB3 H 3.009 0.020 2 586 55 55 TYR HD1 H 7.190 0.020 1 587 55 55 TYR HD2 H 7.190 0.020 1 588 55 55 TYR C C 177.721 0.400 1 589 55 55 TYR CA C 62.220 0.400 1 590 55 55 TYR CB C 36.476 0.400 1 591 55 55 TYR N N 120.627 0.400 1 592 56 56 GLN H H 8.641 0.020 1 593 56 56 GLN HA H 3.933 0.020 1 594 56 56 GLN HB2 H 2.131 0.020 2 595 56 56 GLN HB3 H 2.211 0.020 2 596 56 56 GLN HG2 H 2.027 0.020 1 597 56 56 GLN HG3 H 2.027 0.020 1 598 56 56 GLN HE21 H 6.715 0.020 1 599 56 56 GLN HE22 H 6.715 0.020 1 600 56 56 GLN C C 178.971 0.400 1 601 56 56 GLN CA C 59.591 0.400 1 602 56 56 GLN CB C 28.202 0.400 1 603 56 56 GLN CG C 34.490 0.400 1 604 56 56 GLN N N 118.508 0.400 1 605 56 56 GLN NE2 N 110.917 0.400 1 606 57 57 LYS H H 7.744 0.020 1 607 57 57 LYS HA H 4.127 0.020 1 608 57 57 LYS HB2 H 1.938 0.020 1 609 57 57 LYS HB3 H 1.938 0.020 1 610 57 57 LYS HG2 H 1.730 0.020 1 611 57 57 LYS HG3 H 1.730 0.020 1 612 57 57 LYS HD2 H 1.506 0.020 1 613 57 57 LYS HD3 H 1.506 0.020 1 614 57 57 LYS HE2 H 2.973 0.020 1 615 57 57 LYS HE3 H 2.973 0.020 1 616 57 57 LYS C C 179.391 0.400 1 617 57 57 LYS CA C 58.570 0.400 1 618 57 57 LYS CB C 30.659 0.400 1 619 57 57 LYS CG C 24.790 0.400 1 620 57 57 LYS CD C 28.740 0.400 1 621 57 57 LYS CE C 42.180 0.400 1 622 57 57 LYS N N 120.222 0.400 1 623 58 58 GLN H H 8.057 0.020 1 624 58 58 GLN HA H 3.926 0.020 1 625 58 58 GLN HB2 H 2.021 0.020 1 626 58 58 GLN HB3 H 2.021 0.020 1 627 58 58 GLN HG2 H 2.182 0.020 2 628 58 58 GLN HG3 H 2.021 0.020 2 629 58 58 GLN HE21 H 6.732 0.020 1 630 58 58 GLN HE22 H 6.732 0.020 1 631 58 58 GLN C C 179.211 0.400 1 632 58 58 GLN CA C 58.021 0.400 1 633 58 58 GLN CB C 27.929 0.400 1 634 58 58 GLN CG C 34.125 0.400 1 635 58 58 GLN N N 118.095 0.400 1 636 58 58 GLN NE2 N 112.805 0.400 1 637 59 59 LEU H H 9.058 0.020 1 638 59 59 LEU HA H 3.894 0.020 1 639 59 59 LEU HB2 H 2.216 0.020 2 640 59 59 LEU HB3 H 1.469 0.020 2 641 59 59 LEU HG H 1.644 0.020 1 642 59 59 LEU HD1 H 0.938 0.020 2 643 59 59 LEU HD2 H 0.584 0.020 2 644 59 59 LEU C C 177.811 0.400 1 645 59 59 LEU CA C 58.204 0.400 1 646 59 59 LEU CB C 41.599 0.400 1 647 59 59 LEU CG C 26.353 0.400 1 648 59 59 LEU CD1 C 26.317 0.400 1 649 59 59 LEU CD2 C 24.555 0.400 1 650 59 59 LEU N N 124.342 0.400 1 651 60 60 GLU H H 7.800 0.020 1 652 60 60 GLU HA H 4.129 0.020 1 653 60 60 GLU HB2 H 2.225 0.020 1 654 60 60 GLU HB3 H 2.225 0.020 1 655 60 60 GLU HG2 H 1.671 0.020 1 656 60 60 GLU HG3 H 1.671 0.020 1 657 60 60 GLU C C 180.011 0.400 1 658 60 60 GLU CA C 59.171 0.400 1 659 60 60 GLU CB C 28.748 0.400 1 660 60 60 GLU CG C 36.320 0.400 1 661 60 60 GLU N N 119.916 0.400 1 662 61 61 ILE H H 7.762 0.020 1 663 61 61 ILE HA H 3.830 0.020 1 664 61 61 ILE HB H 1.887 0.020 1 665 61 61 ILE HG12 H 1.755 0.020 2 666 61 61 ILE HG13 H 1.142 0.020 2 667 61 61 ILE HG2 H 0.941 0.020 1 668 61 61 ILE HD1 H 0.817 0.020 1 669 61 61 ILE C C 178.431 0.400 1 670 61 61 ILE CA C 64.591 0.400 1 671 61 61 ILE CB C 38.171 0.400 1 672 61 61 ILE CG1 C 28.811 0.400 1 673 61 61 ILE CG2 C 17.093 0.400 1 674 61 61 ILE CD1 C 13.105 0.400 1 675 61 61 ILE N N 121.041 0.400 1 676 62 62 ALA H H 8.440 0.020 1 677 62 62 ALA HA H 4.090 0.020 1 678 62 62 ALA HB H 1.648 0.020 1 679 62 62 ALA C C 180.901 0.400 1 680 62 62 ALA CA C 55.123 0.400 1 681 62 62 ALA CB C 18.001 0.400 1 682 62 62 ALA N N 122.442 0.400 1 683 63 63 HIS H H 9.147 0.020 1 684 63 63 HIS HA H 4.071 0.020 1 685 63 63 HIS HB2 H 3.400 0.020 1 686 63 63 HIS HB3 H 3.400 0.020 1 687 63 63 HIS C C 178.811 0.400 1 688 63 63 HIS CA C 59.398 0.400 1 689 63 63 HIS CB C 29.908 0.400 1 690 63 63 HIS N N 120.947 0.400 1 691 64 64 GLU H H 8.074 0.020 1 692 64 64 GLU HA H 3.967 0.020 1 693 64 64 GLU HB2 H 1.624 0.020 2 694 64 64 GLU HB3 H 2.227 0.020 2 695 64 64 GLU HG2 H 2.380 0.020 1 696 64 64 GLU HG3 H 2.380 0.020 1 697 64 64 GLU C C 179.511 0.400 1 698 64 64 GLU CA C 59.167 0.400 1 699 64 64 GLU CB C 28.365 0.400 1 700 64 64 GLU CG C 36.130 0.400 1 701 64 64 GLU N N 120.521 0.400 1 702 65 65 LYS H H 8.310 0.020 1 703 65 65 LYS HA H 4.047 0.020 1 704 65 65 LYS HB2 H 1.942 0.020 1 705 65 65 LYS HB3 H 1.942 0.020 1 706 65 65 LYS HG2 H 1.694 0.020 1 707 65 65 LYS HG3 H 1.694 0.020 1 708 65 65 LYS HE2 H 3.422 0.020 1 709 65 65 LYS HE3 H 3.422 0.020 1 710 65 65 LYS C C 179.681 0.400 1 711 65 65 LYS CA C 59.162 0.400 1 712 65 65 LYS CB C 31.368 0.400 1 713 65 65 LYS CD C 29.330 0.400 1 714 65 65 LYS CE C 42.150 0.400 1 715 65 65 LYS N N 119.510 0.400 1 716 66 66 LEU H H 7.914 0.020 1 717 66 66 LEU HA H 4.167 0.020 1 718 66 66 LEU HB2 H 1.985 0.020 2 719 66 66 LEU HB3 H 1.217 0.020 2 720 66 66 LEU HG H 1.426 0.020 1 721 66 66 LEU HD1 H 0.603 0.020 2 722 66 66 LEU HD2 H 0.829 0.020 2 723 66 66 LEU C C 177.401 0.400 1 724 66 66 LEU CA C 57.966 0.400 1 725 66 66 LEU CB C 41.451 0.400 1 726 66 66 LEU CG C 26.993 0.400 1 727 66 66 LEU CD1 C 25.835 0.400 1 728 66 66 LEU CD2 C 24.240 0.400 1 729 66 66 LEU N N 122.591 0.400 1 730 67 67 ARG H H 8.181 0.020 1 731 67 67 ARG HA H 3.979 0.020 1 732 67 67 ARG HB2 H 1.740 0.020 1 733 67 67 ARG HB3 H 1.740 0.020 1 734 67 67 ARG HG2 H 1.470 0.020 1 735 67 67 ARG HG3 H 1.470 0.020 1 736 67 67 ARG HD2 H 3.049 0.020 1 737 67 67 ARG HD3 H 3.049 0.020 1 738 67 67 ARG C C 180.081 0.400 1 739 67 67 ARG CA C 58.448 0.400 1 740 67 67 ARG CB C 28.748 0.400 1 741 67 67 ARG CG C 29.500 0.400 1 742 67 67 ARG CD C 43.280 0.400 1 743 67 67 ARG N N 118.790 0.400 1 744 68 68 HIS H H 8.294 0.020 1 745 68 68 HIS HA H 4.091 0.020 1 746 68 68 HIS HB2 H 3.164 0.020 1 747 68 68 HIS HB3 H 3.164 0.020 1 748 68 68 HIS C C 177.851 0.400 1 749 68 68 HIS CA C 59.389 0.400 1 750 68 68 HIS CB C 30.110 0.400 1 751 68 68 HIS N N 119.517 0.400 1 752 69 69 ALA H H 8.299 0.020 1 753 69 69 ALA HA H 3.960 0.020 1 754 69 69 ALA HB H 1.478 0.020 1 755 69 69 ALA C C 179.921 0.400 1 756 69 69 ALA CA C 55.137 0.400 1 757 69 69 ALA CB C 17.489 0.400 1 758 69 69 ALA N N 122.873 0.400 1 759 70 70 GLU H H 8.615 0.020 1 760 70 70 GLU HA H 3.838 0.020 1 761 70 70 GLU HB2 H 2.141 0.020 2 762 70 70 GLU HB3 H 1.923 0.020 2 763 70 70 GLU HG2 H 2.090 0.020 2 764 70 70 GLU HG3 H 2.486 0.020 2 765 70 70 GLU C C 179.121 0.400 1 766 70 70 GLU CA C 58.845 0.400 1 767 70 70 GLU CB C 29.638 0.400 1 768 70 70 GLU CG C 37.382 0.400 1 769 70 70 GLU N N 117.496 0.400 1 770 71 71 SER H H 7.860 0.020 1 771 71 71 SER HA H 4.244 0.020 1 772 71 71 SER HB2 H 4.011 0.020 2 773 71 71 SER HB3 H 3.840 0.020 2 774 71 71 SER C C 175.771 0.400 1 775 71 71 SER CA C 60.677 0.400 1 776 71 71 SER CB C 62.745 0.400 1 777 71 71 SER N N 115.625 0.400 1 778 72 72 VAL H H 7.436 0.020 1 779 72 72 VAL HA H 4.156 0.020 1 780 72 72 VAL HB H 2.181 0.020 1 781 72 72 VAL HG1 H 0.824 0.020 2 782 72 72 VAL HG2 H 0.780 0.020 2 783 72 72 VAL C C 177.561 0.400 1 784 72 72 VAL CA C 62.464 0.400 1 785 72 72 VAL CB C 31.998 0.400 1 786 72 72 VAL CG1 C 21.119 0.400 1 787 72 72 VAL CG2 C 20.168 0.400 1 788 72 72 VAL N N 116.657 0.400 1 789 73 73 GLY H H 7.856 0.020 1 790 73 73 GLY HA2 H 3.953 0.020 2 791 73 73 GLY HA3 H 3.765 0.020 2 792 73 73 GLY C C 173.911 0.400 1 793 73 73 GLY CA C 45.935 0.400 1 794 73 73 GLY N N 108.806 0.400 1 795 74 74 ASP H H 7.587 0.020 1 796 74 74 ASP HA H 4.651 0.020 1 797 74 74 ASP HB2 H 2.589 0.020 2 798 74 74 ASP HB3 H 2.792 0.020 2 799 74 74 ASP C C 176.441 0.400 1 800 74 74 ASP CA C 53.229 0.400 1 801 74 74 ASP CB C 38.829 0.400 1 802 74 74 ASP N N 119.430 0.400 1 803 75 75 GLY H H 8.701 0.020 1 804 75 75 GLY HA2 H 3.993 0.020 2 805 75 75 GLY HA3 H 3.724 0.020 2 806 75 75 GLY C C 176.301 0.400 1 807 75 75 GLY CA C 47.339 0.400 1 808 75 75 GLY N N 113.137 0.400 1 809 76 76 GLU H H 8.442 0.020 1 810 76 76 GLU HA H 4.179 0.020 1 811 76 76 GLU HB2 H 2.160 0.020 1 812 76 76 GLU HB3 H 2.160 0.020 1 813 76 76 GLU HG2 H 2.516 0.020 2 814 76 76 GLU HG3 H 2.360 0.020 2 815 76 76 GLU C C 178.551 0.400 1 816 76 76 GLU CA C 58.815 0.400 1 817 76 76 GLU CB C 29.471 0.400 1 818 76 76 GLU CG C 36.009 0.400 1 819 76 76 GLU N N 122.458 0.400 1 820 77 77 ARG H H 7.816 0.020 1 821 77 77 ARG HA H 4.081 0.020 1 822 77 77 ARG HB2 H 1.830 0.020 1 823 77 77 ARG HB3 H 1.830 0.020 1 824 77 77 ARG HD2 H 3.186 0.020 2 825 77 77 ARG HD3 H 2.807 0.020 2 826 77 77 ARG C C 180.201 0.400 1 827 77 77 ARG CA C 58.530 0.400 1 828 77 77 ARG CB C 30.471 0.400 1 829 77 77 ARG N N 119.893 0.400 1 830 78 78 VAL H H 8.542 0.020 1 831 78 78 VAL HA H 3.416 0.020 1 832 78 78 VAL HB H 2.137 0.020 1 833 78 78 VAL HG1 H 0.859 0.020 2 834 78 78 VAL HG2 H 0.880 0.020 2 835 78 78 VAL C C 177.191 0.400 1 836 78 78 VAL CA C 67.032 0.400 1 837 78 78 VAL CB C 31.781 0.400 1 838 78 78 VAL CG1 C 23.461 0.400 1 839 78 78 VAL CG2 C 21.351 0.400 1 840 78 78 VAL N N 122.145 0.400 1 841 79 79 SER H H 8.130 0.020 1 842 79 79 SER HA H 3.745 0.020 1 843 79 79 SER HB2 H 4.008 0.020 1 844 79 79 SER HB3 H 4.008 0.020 1 845 79 79 SER C C 177.381 0.400 1 846 79 79 SER CA C 61.868 0.400 1 847 79 79 SER CB C 67.441 0.400 1 848 79 79 SER N N 115.396 0.400 1 849 80 80 ARG H H 8.071 0.020 1 850 80 80 ARG HA H 4.271 0.020 1 851 80 80 ARG HB2 H 1.790 0.020 1 852 80 80 ARG HB3 H 1.790 0.020 1 853 80 80 ARG HG2 H 1.950 0.020 1 854 80 80 ARG HG3 H 1.950 0.020 1 855 80 80 ARG C C 179.481 0.400 1 856 80 80 ARG CA C 58.667 0.400 1 857 80 80 ARG CB C 30.631 0.400 1 858 80 80 ARG CD C 43.400 0.400 1 859 80 80 ARG N N 120.548 0.400 1 860 81 81 SER H H 8.277 0.020 1 861 81 81 SER HA H 4.296 0.020 1 862 81 81 SER HB2 H 4.033 0.020 1 863 81 81 SER HB3 H 4.033 0.020 1 864 81 81 SER C C 177.351 0.400 1 865 81 81 SER CA C 62.076 0.400 1 866 81 81 SER CB C 62.947 0.400 1 867 81 81 SER N N 116.242 0.400 1 868 82 82 ARG H H 9.112 0.020 1 869 82 82 ARG HA H 4.043 0.020 1 870 82 82 ARG HB2 H 1.973 0.020 1 871 82 82 ARG HB3 H 1.973 0.020 1 872 82 82 ARG HG2 H 1.730 0.020 1 873 82 82 ARG HG3 H 1.730 0.020 1 874 82 82 ARG HD2 H 3.198 0.020 1 875 82 82 ARG HD3 H 3.198 0.020 1 876 82 82 ARG C C 178.581 0.400 1 877 82 82 ARG CA C 59.868 0.400 1 878 82 82 ARG CB C 30.071 0.400 1 879 82 82 ARG CG C 28.100 0.400 1 880 82 82 ARG N N 125.629 0.400 1 881 83 83 GLU H H 7.912 0.020 1 882 83 83 GLU HA H 4.181 0.020 1 883 83 83 GLU HB2 H 2.120 0.020 2 884 83 83 GLU HB3 H 2.230 0.020 2 885 83 83 GLU HG2 H 2.170 0.020 1 886 83 83 GLU HG3 H 2.170 0.020 1 887 83 83 GLU C C 179.041 0.400 1 888 83 83 GLU CA C 58.992 0.400 1 889 83 83 GLU CB C 28.857 0.400 1 890 83 83 GLU CG C 36.140 0.400 1 891 83 83 GLU N N 120.444 0.400 1 892 84 84 LYS H H 7.861 0.020 1 893 84 84 LYS HA H 4.147 0.020 1 894 84 84 LYS HB2 H 1.943 0.020 1 895 84 84 LYS HB3 H 1.943 0.020 1 896 84 84 LYS HG2 H 1.730 0.020 1 897 84 84 LYS HG3 H 1.730 0.020 1 898 84 84 LYS HD2 H 1.570 0.020 1 899 84 84 LYS HD3 H 1.570 0.020 1 900 84 84 LYS HE2 H 3.245 0.020 1 901 84 84 LYS HE3 H 3.245 0.020 1 902 84 84 LYS C C 178.821 0.400 1 903 84 84 LYS CA C 59.136 0.400 1 904 84 84 LYS CB C 31.423 0.400 1 905 84 84 LYS CG C 25.230 0.400 1 906 84 84 LYS CD C 29.150 0.400 1 907 84 84 LYS CE C 42.020 0.400 1 908 84 84 LYS N N 119.255 0.400 1 909 85 85 HIS H H 8.150 0.020 1 910 85 85 HIS HA H 3.907 0.020 1 911 85 85 HIS HB2 H 3.247 0.020 2 912 85 85 HIS HB3 H 3.063 0.020 2 913 85 85 HIS HD2 H 6.808 0.020 1 914 85 85 HIS C C 175.841 0.400 1 915 85 85 HIS CA C 61.292 0.400 1 916 85 85 HIS CB C 30.773 0.400 1 917 85 85 HIS N N 118.616 0.400 1 918 86 86 ALA H H 8.400 0.020 1 919 86 86 ALA HA H 4.104 0.020 1 920 86 86 ALA HB H 1.544 0.020 1 921 86 86 ALA C C 181.531 0.400 1 922 86 86 ALA CA C 54.930 0.400 1 923 86 86 ALA CB C 18.043 0.400 1 924 86 86 ALA N N 121.135 0.400 1 925 87 87 LEU H H 7.920 0.020 1 926 87 87 LEU HA H 4.151 0.020 1 927 87 87 LEU HB2 H 1.840 0.020 2 928 87 87 LEU HB3 H 1.742 0.020 2 929 87 87 LEU HG H 1.700 0.020 1 930 87 87 LEU HD1 H 0.907 0.020 2 931 87 87 LEU HD2 H 0.934 0.020 2 932 87 87 LEU C C 180.301 0.400 1 933 87 87 LEU CA C 57.737 0.400 1 934 87 87 LEU CB C 41.916 0.400 1 935 87 87 LEU CG C 24.679 0.400 1 936 87 87 LEU CD1 C 23.983 0.400 1 937 87 87 LEU CD2 C 24.682 0.400 1 938 87 87 LEU N N 120.248 0.400 1 939 88 88 LEU H H 7.844 0.020 1 940 88 88 LEU HA H 4.021 0.020 1 941 88 88 LEU HB2 H 1.843 0.020 2 942 88 88 LEU HB3 H 1.289 0.020 2 943 88 88 LEU HG H 1.714 0.020 1 944 88 88 LEU HD1 H 0.866 0.020 2 945 88 88 LEU HD2 H 0.824 0.020 2 946 88 88 LEU C C 179.851 0.400 1 947 88 88 LEU CA C 57.490 0.400 1 948 88 88 LEU CB C 42.616 0.400 1 949 88 88 LEU CG C 27.494 0.400 1 950 88 88 LEU CD1 C 23.714 0.400 1 951 88 88 LEU CD2 C 23.482 0.400 1 952 88 88 LEU N N 120.564 0.400 1 953 89 89 GLU H H 9.192 0.020 1 954 89 89 GLU HA H 3.751 0.020 1 955 89 89 GLU HB2 H 1.746 0.020 2 956 89 89 GLU HB3 H 1.995 0.020 2 957 89 89 GLU HG2 H 2.050 0.020 2 958 89 89 GLU HG3 H 2.092 0.020 2 959 89 89 GLU C C 178.961 0.400 1 960 89 89 GLU CA C 60.100 0.400 1 961 89 89 GLU CB C 29.151 0.400 1 962 89 89 GLU CG C 36.692 0.400 1 963 89 89 GLU N N 125.739 0.400 1 964 90 90 GLY H H 7.922 0.020 1 965 90 90 GLY HA2 H 4.034 0.020 2 966 90 90 GLY HA3 H 3.845 0.020 2 967 90 90 GLY C C 176.671 0.400 1 968 90 90 GLY CA C 47.339 0.400 1 969 90 90 GLY N N 105.879 0.400 1 970 91 91 ARG H H 7.818 0.020 1 971 91 91 ARG HA H 4.137 0.020 1 972 91 91 ARG HB2 H 1.756 0.020 1 973 91 91 ARG HB3 H 1.756 0.020 1 974 91 91 ARG HD2 H 2.996 0.020 1 975 91 91 ARG HD3 H 2.996 0.020 1 976 91 91 ARG C C 178.941 0.400 1 977 91 91 ARG CA C 58.082 0.400 1 978 91 91 ARG CB C 29.130 0.400 1 979 91 91 ARG CG C 26.810 0.400 1 980 91 91 ARG CD C 43.010 0.400 1 981 91 91 ARG N N 121.333 0.400 1 982 92 92 THR H H 8.456 0.020 1 983 92 92 THR HA H 3.790 0.020 1 984 92 92 THR HB H 4.217 0.020 1 985 92 92 THR HG2 H 1.234 0.020 1 986 92 92 THR C C 176.741 0.400 1 987 92 92 THR CA C 68.153 0.400 1 988 92 92 THR CB C 67.924 0.400 1 989 92 92 THR CG2 C 21.838 0.400 1 990 92 92 THR N N 116.851 0.400 1 991 93 93 LYS H H 8.111 0.020 1 992 93 93 LYS HA H 3.990 0.020 1 993 93 93 LYS HB2 H 1.577 0.020 1 994 93 93 LYS HB3 H 1.577 0.020 1 995 93 93 LYS HE2 H 3.198 0.020 1 996 93 93 LYS HE3 H 3.198 0.020 1 997 93 93 LYS C C 179.421 0.400 1 998 93 93 LYS CA C 59.181 0.400 1 999 93 93 LYS CB C 31.205 0.400 1 1000 93 93 LYS CG C 25.520 0.400 1 1001 93 93 LYS CD C 29.480 0.400 1 1002 93 93 LYS CE C 42.110 0.400 1 1003 93 93 LYS N N 122.022 0.400 1 1004 94 94 GLU H H 7.881 0.020 1 1005 94 94 GLU HA H 4.137 0.020 1 1006 94 94 GLU HB2 H 2.050 0.020 1 1007 94 94 GLU HB3 H 2.050 0.020 1 1008 94 94 GLU HG2 H 2.200 0.020 1 1009 94 94 GLU HG3 H 2.200 0.020 1 1010 94 94 GLU C C 179.591 0.400 1 1011 94 94 GLU CA C 59.079 0.400 1 1012 94 94 GLU CB C 28.693 0.400 1 1013 94 94 GLU CG C 36.170 0.400 1 1014 94 94 GLU N N 119.647 0.400 1 1015 95 95 LEU H H 8.135 0.020 1 1016 95 95 LEU HA H 4.194 0.020 1 1017 95 95 LEU HB2 H 2.044 0.020 2 1018 95 95 LEU HB3 H 1.558 0.020 2 1019 95 95 LEU HG H 1.708 0.020 1 1020 95 95 LEU HD1 H 0.783 0.020 2 1021 95 95 LEU HD2 H 0.909 0.020 2 1022 95 95 LEU C C 179.031 0.400 1 1023 95 95 LEU CA C 57.281 0.400 1 1024 95 95 LEU CB C 41.451 0.400 1 1025 95 95 LEU CG C 27.725 0.400 1 1026 95 95 LEU CD1 C 25.611 0.400 1 1027 95 95 LEU CD2 C 24.178 0.400 1 1028 95 95 LEU N N 121.174 0.400 1 1029 96 96 GLY H H 8.514 0.020 1 1030 96 96 GLY HA2 H 3.680 0.020 2 1031 96 96 GLY HA3 H 2.788 0.020 2 1032 96 96 GLY C C 176.701 0.400 1 1033 96 96 GLY CA C 46.883 0.400 1 1034 96 96 GLY N N 108.917 0.400 1 1035 97 97 TYR H H 8.016 0.020 1 1036 97 97 TYR HA H 4.386 0.020 1 1037 97 97 TYR HB2 H 3.224 0.020 1 1038 97 97 TYR HB3 H 3.224 0.020 1 1039 97 97 TYR HD1 H 7.193 0.020 1 1040 97 97 TYR HD2 H 7.193 0.020 1 1041 97 97 TYR HE1 H 6.818 0.020 1 1042 97 97 TYR HE2 H 6.818 0.020 1 1043 97 97 TYR C C 178.131 0.400 1 1044 97 97 TYR CA C 60.335 0.400 1 1045 97 97 TYR CB C 37.183 0.400 1 1046 97 97 TYR CD1 C 133.201 0.400 1 1047 97 97 TYR N N 123.188 0.400 1 1048 98 98 THR H H 8.149 0.020 1 1049 98 98 THR HA H 4.439 0.020 1 1050 98 98 THR HB H 3.897 0.020 1 1051 98 98 THR HG2 H 1.297 0.020 1 1052 98 98 THR C C 176.751 0.400 1 1053 98 98 THR CA C 68.378 0.400 1 1054 98 98 THR CB C 66.470 0.400 1 1055 98 98 THR CG2 C 22.053 0.400 1 1056 98 98 THR N N 117.464 0.400 1 1057 99 99 VAL H H 8.360 0.020 1 1058 99 99 VAL HA H 3.688 0.020 1 1059 99 99 VAL HB H 2.090 0.020 1 1060 99 99 VAL HG1 H 0.970 0.020 2 1061 99 99 VAL HG2 H 0.836 0.020 2 1062 99 99 VAL C C 177.051 0.400 1 1063 99 99 VAL CA C 67.431 0.400 1 1064 99 99 VAL CB C 31.714 0.400 1 1065 99 99 VAL CG1 C 21.296 0.400 1 1066 99 99 VAL CG2 C 17.504 0.400 1 1067 99 99 VAL N N 122.511 0.400 1 1068 100 100 LYS H H 7.713 0.020 1 1069 100 100 LYS HA H 3.959 0.020 1 1070 100 100 LYS HB2 H 1.924 0.020 1 1071 100 100 LYS HB3 H 1.924 0.020 1 1072 100 100 LYS HG2 H 1.600 0.020 1 1073 100 100 LYS HG3 H 1.600 0.020 1 1074 100 100 LYS HE2 H 2.836 0.020 1 1075 100 100 LYS HE3 H 2.836 0.020 1 1076 100 100 LYS C C 178.921 0.400 1 1077 100 100 LYS CA C 59.668 0.400 1 1078 100 100 LYS CB C 32.199 0.400 1 1079 100 100 LYS CG C 29.103 0.400 1 1080 100 100 LYS CD C 29.630 0.400 1 1081 100 100 LYS CE C 41.970 0.400 1 1082 100 100 LYS N N 119.764 0.400 1 1083 101 101 LYS H H 8.184 0.020 1 1084 101 101 LYS HA H 3.979 0.020 1 1085 101 101 LYS HB2 H 1.786 0.020 2 1086 101 101 LYS HB3 H 1.701 0.020 2 1087 101 101 LYS HG2 H 1.257 0.020 2 1088 101 101 LYS HG3 H 1.339 0.020 2 1089 101 101 LYS HE2 H 2.843 0.020 1 1090 101 101 LYS HE3 H 2.843 0.020 1 1091 101 101 LYS C C 179.201 0.400 1 1092 101 101 LYS CA C 58.610 0.400 1 1093 101 101 LYS CB C 31.756 0.400 1 1094 101 101 LYS CG C 24.470 0.400 1 1095 101 101 LYS CD C 29.003 0.400 1 1096 101 101 LYS CE C 42.050 0.400 1 1097 101 101 LYS N N 119.799 0.400 1 1098 102 102 HIS H H 8.358 0.020 1 1099 102 102 HIS HA H 4.380 0.020 1 1100 102 102 HIS HB2 H 2.846 0.020 2 1101 102 102 HIS HB3 H 3.186 0.020 2 1102 102 102 HIS HD2 H 6.869 0.020 1 1103 102 102 HIS C C 177.491 0.400 1 1104 102 102 HIS CA C 58.445 0.400 1 1105 102 102 HIS CB C 30.881 0.400 1 1106 102 102 HIS N N 120.267 0.400 1 1107 103 103 LEU H H 8.482 0.020 1 1108 103 103 LEU HA H 3.553 0.020 1 1109 103 103 LEU HB2 H 2.056 0.020 2 1110 103 103 LEU HB3 H 1.840 0.020 2 1111 103 103 LEU HG H 1.647 0.020 1 1112 103 103 LEU HD1 H 0.994 0.020 2 1113 103 103 LEU HD2 H 0.972 0.020 2 1114 103 103 LEU C C 179.421 0.400 1 1115 103 103 LEU CA C 58.215 0.400 1 1116 103 103 LEU CB C 41.450 0.400 1 1117 103 103 LEU CG C 27.196 0.400 1 1118 103 103 LEU CD1 C 25.848 0.400 1 1119 103 103 LEU CD2 C 23.728 0.400 1 1120 103 103 LEU N N 120.014 0.400 1 1121 104 104 GLN H H 7.935 0.020 1 1122 104 104 GLN HA H 3.974 0.020 1 1123 104 104 GLN HB2 H 2.159 0.020 1 1124 104 104 GLN HB3 H 2.159 0.020 1 1125 104 104 GLN HG2 H 1.697 0.020 2 1126 104 104 GLN HG3 H 1.631 0.020 2 1127 104 104 GLN C C 178.941 0.400 1 1128 104 104 GLN CA C 58.737 0.400 1 1129 104 104 GLN CB C 29.129 0.400 1 1130 104 104 GLN CG C 33.878 0.400 1 1131 104 104 GLN N N 119.125 0.400 1 1132 105 105 ASP H H 8.130 0.020 1 1133 105 105 ASP HA H 4.383 0.020 1 1134 105 105 ASP HB2 H 2.771 0.020 2 1135 105 105 ASP HB3 H 2.813 0.020 2 1136 105 105 ASP C C 178.981 0.400 1 1137 105 105 ASP CA C 57.271 0.400 1 1138 105 105 ASP CB C 41.462 0.400 1 1139 105 105 ASP N N 121.650 0.400 1 1140 106 106 LEU H H 8.737 0.020 1 1141 106 106 LEU HA H 3.944 0.020 1 1142 106 106 LEU HB2 H 1.208 0.020 2 1143 106 106 LEU HB3 H 1.660 0.020 2 1144 106 106 LEU HG H 1.522 0.020 1 1145 106 106 LEU HD1 H 0.050 0.020 2 1146 106 106 LEU HD2 H 0.571 0.020 2 1147 106 106 LEU C C 178.801 0.400 1 1148 106 106 LEU CA C 58.217 0.400 1 1149 106 106 LEU CB C 42.385 0.400 1 1150 106 106 LEU CG C 27.020 0.400 1 1151 106 106 LEU CD1 C 25.120 0.400 1 1152 106 106 LEU CD2 C 23.301 0.400 1 1153 106 106 LEU N N 120.760 0.400 1 1154 107 107 SER H H 8.349 0.020 1 1155 107 107 SER HA H 3.982 0.020 1 1156 107 107 SER HB2 H 3.910 0.020 1 1157 107 107 SER HB3 H 3.910 0.020 1 1158 107 107 SER C C 177.681 0.400 1 1159 107 107 SER CA C 62.192 0.400 1 1160 107 107 SER CB C 62.561 0.400 1 1161 107 107 SER N N 112.590 0.400 1 1162 108 108 GLY H H 8.082 0.020 1 1163 108 108 GLY HA2 H 3.986 0.020 2 1164 108 108 GLY HA3 H 3.896 0.020 2 1165 108 108 GLY C C 175.941 0.400 1 1166 108 108 GLY CA C 46.668 0.400 1 1167 108 108 GLY N N 109.497 0.400 1 1168 109 109 ARG H H 7.887 0.020 1 1169 109 109 ARG HA H 3.573 0.020 1 1170 109 109 ARG HB2 H 1.991 0.020 1 1171 109 109 ARG HB3 H 1.991 0.020 1 1172 109 109 ARG HG2 H 1.290 0.020 1 1173 109 109 ARG HG3 H 1.290 0.020 1 1174 109 109 ARG HD2 H 2.980 0.020 1 1175 109 109 ARG HD3 H 2.980 0.020 1 1176 109 109 ARG C C 179.021 0.400 1 1177 109 109 ARG CA C 60.106 0.400 1 1178 109 109 ARG CB C 29.894 0.400 1 1179 109 109 ARG N N 121.072 0.400 1 1180 110 110 ILE H H 7.718 0.020 1 1181 110 110 ILE HA H 3.700 0.020 1 1182 110 110 ILE HB H 1.778 0.020 1 1183 110 110 ILE HG12 H 1.270 0.020 2 1184 110 110 ILE HG13 H 0.604 0.020 2 1185 110 110 ILE HG2 H 0.576 0.020 1 1186 110 110 ILE HD1 H 0.439 0.020 1 1187 110 110 ILE C C 176.871 0.400 1 1188 110 110 ILE CA C 62.461 0.400 1 1189 110 110 ILE CB C 37.435 0.400 1 1190 110 110 ILE CG1 C 28.137 0.400 1 1191 110 110 ILE CG2 C 18.259 0.400 1 1192 110 110 ILE CD1 C 12.953 0.400 1 1193 110 110 ILE N N 116.861 0.400 1 1194 111 111 SER H H 7.868 0.020 1 1195 111 111 SER HA H 4.168 0.020 1 1196 111 111 SER HB2 H 3.966 0.020 1 1197 111 111 SER HB3 H 3.966 0.020 1 1198 111 111 SER C C 176.241 0.400 1 1199 111 111 SER CA C 60.556 0.400 1 1200 111 111 SER CB C 62.798 0.400 1 1201 111 111 SER N N 115.281 0.400 1 1202 112 112 ARG H H 7.922 0.020 1 1203 112 112 ARG HA H 4.179 0.020 1 1204 112 112 ARG HB2 H 1.840 0.020 1 1205 112 112 ARG HB3 H 1.840 0.020 1 1206 112 112 ARG HG2 H 1.650 0.020 1 1207 112 112 ARG HG3 H 1.650 0.020 1 1208 112 112 ARG HD2 H 3.217 0.020 1 1209 112 112 ARG HD3 H 3.217 0.020 1 1210 112 112 ARG C C 177.011 0.400 1 1211 112 112 ARG CA C 57.526 0.400 1 1212 112 112 ARG CB C 29.394 0.400 1 1213 112 112 ARG CG C 27.640 0.400 1 1214 112 112 ARG CD C 43.117 0.400 1 1215 112 112 ARG N N 120.594 0.400 1 1216 113 113 ALA H H 7.735 0.020 1 1217 113 113 ALA HA H 4.235 0.020 1 1218 113 113 ALA HB H 1.412 0.020 1 1219 113 113 ALA C C 177.951 0.400 1 1220 113 113 ALA CA C 53.018 0.400 1 1221 113 113 ALA CB C 18.683 0.400 1 1222 113 113 ALA N N 122.790 0.400 1 1223 114 114 ARG H H 7.834 0.020 1 1224 114 114 ARG HA H 4.230 0.020 1 1225 114 114 ARG HB2 H 1.483 0.020 1 1226 114 114 ARG HB3 H 1.483 0.020 1 1227 114 114 ARG HG2 H 1.756 0.020 1 1228 114 114 ARG HG3 H 1.756 0.020 1 1229 114 114 ARG HD2 H 3.139 0.020 1 1230 114 114 ARG HD3 H 3.139 0.020 1 1231 114 114 ARG C C 176.311 0.400 1 1232 114 114 ARG CA C 56.386 0.400 1 1233 114 114 ARG CB C 29.991 0.400 1 1234 114 114 ARG CG C 27.240 0.400 1 1235 114 114 ARG CD C 43.139 0.400 1 1236 114 114 ARG N N 118.495 0.400 1 1237 115 115 HIS HA H 4.605 0.020 1 1238 115 115 HIS HB2 H 3.182 0.020 2 1239 115 115 HIS HB3 H 3.071 0.020 2 1240 115 115 HIS HD2 H 7.085 0.020 1 1241 115 115 HIS C C 174.691 0.400 1 1242 115 115 HIS CA C 56.100 0.400 1 1243 115 115 HIS CB C 30.124 0.400 1 1244 115 115 HIS N N 119.826 0.400 1 1245 116 116 ASN HA H 4.206 0.020 1 1246 116 116 ASN HB2 H 2.796 0.020 2 1247 116 116 ASN HB3 H 2.716 0.020 2 1248 116 116 ASN C C 174.721 0.400 1 1249 116 116 ASN CA C 53.207 0.400 1 1250 116 116 ASN CB C 38.831 0.400 1 1251 116 116 ASN N N 121.271 0.400 1 1252 117 117 GLU H H 8.372 0.020 1 1253 117 117 GLU HA H 4.231 0.020 1 1254 117 117 GLU HB2 H 2.026 0.020 2 1255 117 117 GLU HB3 H 1.890 0.020 2 1256 117 117 GLU HG2 H 2.240 0.020 2 1257 117 117 GLU HG3 H 2.270 0.020 2 1258 117 117 GLU C C 175.341 0.400 1 1259 117 117 GLU CA C 56.102 0.400 1 1260 117 117 GLU CB C 29.621 0.400 1 1261 117 117 GLU CG C 36.360 0.400 1 1262 117 117 GLU N N 121.471 0.400 1 1263 118 118 LEU H H 7.865 0.020 1 1264 118 118 LEU HA H 4.137 0.020 1 1265 118 118 LEU HB2 H 1.545 0.020 1 1266 118 118 LEU HB3 H 1.545 0.020 1 1267 118 118 LEU HG H 1.600 0.020 1 1268 118 118 LEU HD1 H 0.866 0.020 2 1269 118 118 LEU HD2 H 0.857 0.020 2 1270 118 118 LEU CA C 56.726 0.400 1 1271 118 118 LEU CB C 42.397 0.400 1 1272 118 118 LEU CG C 27.170 0.400 1 1273 118 118 LEU CD1 C 25.141 0.400 1 1274 118 118 LEU CD2 C 20.398 0.400 1 1275 118 118 LEU N N 128.832 0.400 1 stop_ save_