data_11390 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the death domain of Ankyrin-1 ; _BMRB_accession_number 11390 _BMRB_flat_file_name bmr11390.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 579 "13C chemical shifts" 409 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the death domain of Ankyrin-1' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ankyrin-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'death domain, UNP residues 1394-1497' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'death domain, UNP residues 1394-1497' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GSSGSSGPGSLSGTEQAEMK MAVISEHLGLSWAELARELQ FSVEDINRIRVENPNSLLEQ SVALLNLWVIREGQNANMEN LYTALQSIDRGEIVNMLEGS GRQSRNLKPDR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 GLY 10 SER 11 LEU 12 SER 13 GLY 14 THR 15 GLU 16 GLN 17 ALA 18 GLU 19 MET 20 LYS 21 MET 22 ALA 23 VAL 24 ILE 25 SER 26 GLU 27 HIS 28 LEU 29 GLY 30 LEU 31 SER 32 TRP 33 ALA 34 GLU 35 LEU 36 ALA 37 ARG 38 GLU 39 LEU 40 GLN 41 PHE 42 SER 43 VAL 44 GLU 45 ASP 46 ILE 47 ASN 48 ARG 49 ILE 50 ARG 51 VAL 52 GLU 53 ASN 54 PRO 55 ASN 56 SER 57 LEU 58 LEU 59 GLU 60 GLN 61 SER 62 VAL 63 ALA 64 LEU 65 LEU 66 ASN 67 LEU 68 TRP 69 VAL 70 ILE 71 ARG 72 GLU 73 GLY 74 GLN 75 ASN 76 ALA 77 ASN 78 MET 79 GLU 80 ASN 81 LEU 82 TYR 83 THR 84 ALA 85 LEU 86 GLN 87 SER 88 ILE 89 ASP 90 ARG 91 GLY 92 GLU 93 ILE 94 VAL 95 ASN 96 MET 97 LEU 98 GLU 99 GLY 100 SER 101 GLY 102 ARG 103 GLN 104 SER 105 ARG 106 ASN 107 LEU 108 LYS 109 PRO 110 ASP 111 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2YQF "Solution Structure Of The Death Domain Of Ankyrin-1" 100.00 111 100.00 100.00 3.22e-71 PDB 2YVI "Crystal Structure Of A Death Domain Of Human Ankryn Protein" 100.00 111 100.00 100.00 3.22e-71 DBJ BAD92655 "ankyrin 1 isoform 4 variant [Homo sapiens]" 95.50 1899 99.06 99.06 3.62e-61 DBJ BAG54351 "unnamed protein product [Homo sapiens]" 95.50 1034 99.06 99.06 8.82e-62 EMBL CAA34610 "unnamed protein product [Homo sapiens]" 95.50 1881 99.06 99.06 4.10e-61 EMBL CAA34611 "alt. ankyrin (variant 2.2) [Homo sapiens]" 95.50 1719 99.06 99.06 2.65e-61 GB AAA51732 "ankyrin [Homo sapiens]" 95.50 1880 99.06 99.06 4.34e-61 GB AAB47805 "ankyrin [Homo sapiens]" 95.50 1856 99.06 99.06 4.07e-61 GB AAI56402 "Ankyrin 1, erythrocytic, partial [synthetic construct]" 95.50 1881 99.06 99.06 4.10e-61 GB EAW63241 "ankyrin 1, erythrocytic, isoform CRA_a [Homo sapiens]" 95.50 1726 99.06 99.06 3.05e-61 GB EAW63242 "ankyrin 1, erythrocytic, isoform CRA_b [Homo sapiens]" 95.50 869 99.06 99.06 1.79e-61 PIR B35049 "ankyrin 1, erythrocyte splice form 3 - human" 95.50 1856 99.06 99.06 3.92e-61 PRF 1605244A "erythrocyte ankyrin" 95.50 1881 99.06 99.06 3.87e-61 REF NP_000028 "ankyrin-1 isoform 3 [Homo sapiens]" 95.50 1880 99.06 99.06 4.13e-61 REF NP_001135918 "ankyrin-1 isoform 9 [Homo sapiens]" 95.50 1897 99.06 99.06 3.54e-61 REF NP_065208 "ankyrin-1 isoform 4 [Homo sapiens]" 95.50 1856 99.06 99.06 3.92e-61 REF NP_065209 "ankyrin-1 isoform 1 [Homo sapiens]" 95.50 1881 99.06 99.06 4.10e-61 REF NP_065210 "ankyrin-1 isoform 2 [Homo sapiens]" 95.50 1719 99.06 99.06 2.65e-61 SP P16157 "RecName: Full=Ankyrin-1; Short=ANK-1; AltName: Full=Ankyrin-R; AltName: Full=Erythrocyte ankyrin" 95.50 1881 99.06 99.06 4.10e-61 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060123-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'death domain, UNP residues 1394-1497' _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 8 8 PRO HA H 4.445 0.030 1 2 8 8 PRO HB2 H 2.294 0.030 2 3 8 8 PRO HD2 H 3.646 0.030 2 4 8 8 PRO HD3 H 3.676 0.030 2 5 8 8 PRO HG2 H 2.045 0.030 2 6 8 8 PRO C C 177.715 0.300 1 7 8 8 PRO CA C 63.635 0.300 1 8 8 8 PRO CB C 32.174 0.300 1 9 8 8 PRO CD C 49.816 0.300 1 10 8 8 PRO CG C 27.205 0.300 1 11 9 9 GLY H H 8.573 0.030 1 12 9 9 GLY C C 174.221 0.300 1 13 9 9 GLY CA C 45.379 0.300 1 14 9 9 GLY N N 109.592 0.300 1 15 10 10 SER H H 8.123 0.030 1 16 10 10 SER HA H 4.452 0.030 1 17 10 10 SER HB2 H 3.857 0.030 2 18 10 10 SER C C 174.724 0.300 1 19 10 10 SER CA C 58.521 0.300 1 20 10 10 SER CB C 64.270 0.300 1 21 10 10 SER N N 115.417 0.300 1 22 11 11 LEU H H 8.353 0.030 1 23 11 11 LEU HA H 4.456 0.030 1 24 11 11 LEU HB2 H 1.693 0.030 2 25 11 11 LEU HB3 H 1.645 0.030 2 26 11 11 LEU HD1 H 0.941 0.030 1 27 11 11 LEU HD2 H 0.888 0.030 1 28 11 11 LEU HG H 1.677 0.030 1 29 11 11 LEU C C 177.525 0.300 1 30 11 11 LEU CA C 55.381 0.300 1 31 11 11 LEU CB C 42.474 0.300 1 32 11 11 LEU CD1 C 25.335 0.300 2 33 11 11 LEU CD2 C 23.727 0.300 2 34 11 11 LEU CG C 27.150 0.300 1 35 11 11 LEU N N 123.763 0.300 1 36 12 12 SER H H 8.503 0.030 1 37 12 12 SER HA H 4.475 0.030 1 38 12 12 SER HB2 H 3.997 0.030 2 39 12 12 SER HB3 H 3.915 0.030 2 40 12 12 SER C C 175.296 0.300 1 41 12 12 SER CA C 58.649 0.300 1 42 12 12 SER CB C 64.166 0.300 1 43 12 12 SER N N 116.423 0.300 1 44 13 13 GLY H H 8.633 0.030 1 45 13 13 GLY HA2 H 4.121 0.030 2 46 13 13 GLY HA3 H 4.052 0.030 2 47 13 13 GLY C C 175.254 0.300 1 48 13 13 GLY CA C 46.128 0.300 1 49 13 13 GLY N N 110.703 0.300 1 50 14 14 THR H H 8.041 0.030 1 51 14 14 THR HA H 4.360 0.030 1 52 14 14 THR HB H 4.310 0.030 1 53 14 14 THR HG2 H 1.246 0.030 1 54 14 14 THR C C 175.146 0.300 1 55 14 14 THR CA C 62.918 0.300 1 56 14 14 THR CB C 69.632 0.300 1 57 14 14 THR CG2 C 21.719 0.300 1 58 14 14 THR N N 114.226 0.300 1 59 15 15 GLU H H 8.605 0.030 1 60 15 15 GLU HA H 4.238 0.030 1 61 15 15 GLU HB2 H 2.104 0.030 1 62 15 15 GLU HB3 H 2.104 0.030 1 63 15 15 GLU HG2 H 2.416 0.030 2 64 15 15 GLU HG3 H 2.336 0.030 2 65 15 15 GLU C C 177.912 0.300 1 66 15 15 GLU CA C 58.246 0.300 1 67 15 15 GLU CB C 29.827 0.300 1 68 15 15 GLU CG C 36.723 0.300 1 69 15 15 GLU N N 123.827 0.300 1 70 16 16 GLN H H 8.577 0.030 1 71 16 16 GLN HA H 4.229 0.030 1 72 16 16 GLN HB2 H 2.259 0.030 2 73 16 16 GLN HB3 H 2.148 0.030 2 74 16 16 GLN HE21 H 7.571 0.030 2 75 16 16 GLN HE22 H 6.908 0.030 2 76 16 16 GLN HG2 H 2.427 0.030 2 77 16 16 GLN HG3 H 2.481 0.030 2 78 16 16 GLN C C 177.247 0.300 1 79 16 16 GLN CA C 57.728 0.300 1 80 16 16 GLN CB C 28.451 0.300 1 81 16 16 GLN CG C 34.405 0.300 1 82 16 16 GLN N N 118.789 0.300 1 83 16 16 GLN NE2 N 112.316 0.300 1 84 17 17 ALA H H 8.142 0.030 1 85 17 17 ALA HA H 4.087 0.030 1 86 17 17 ALA HB H 1.557 0.030 1 87 17 17 ALA C C 179.370 0.300 1 88 17 17 ALA CA C 55.636 0.300 1 89 17 17 ALA CB C 18.604 0.300 1 90 17 17 ALA N N 122.654 0.300 1 91 18 18 GLU H H 8.561 0.030 1 92 18 18 GLU HA H 4.028 0.030 1 93 18 18 GLU HB2 H 2.110 0.030 2 94 18 18 GLU HG2 H 2.367 0.030 2 95 18 18 GLU CA C 60.047 0.300 1 96 18 18 GLU CB C 29.093 0.300 1 97 18 18 GLU CG C 36.722 0.300 1 98 18 18 GLU N N 117.319 0.300 1 99 19 19 MET H H 7.990 0.030 1 100 19 19 MET HA H 4.304 0.030 1 101 19 19 MET HB2 H 2.248 0.030 1 102 19 19 MET HB3 H 2.248 0.030 1 103 19 19 MET HE H 2.116 0.030 1 104 19 19 MET HG2 H 2.606 0.030 2 105 19 19 MET HG3 H 2.755 0.030 2 106 19 19 MET CA C 58.431 0.300 1 107 19 19 MET CB C 32.179 0.300 1 108 19 19 MET CE C 17.198 0.300 1 109 19 19 MET CG C 32.138 0.300 1 110 19 19 MET N N 120.221 0.300 1 111 20 20 LYS H H 8.028 0.030 1 112 20 20 LYS HA H 4.036 0.030 1 113 20 20 LYS HB2 H 2.108 0.030 2 114 20 20 LYS HB3 H 1.870 0.030 2 115 20 20 LYS HD2 H 1.682 0.030 2 116 20 20 LYS HD3 H 1.892 0.030 2 117 20 20 LYS HE2 H 3.043 0.030 2 118 20 20 LYS HE3 H 2.997 0.030 2 119 20 20 LYS HG2 H 1.476 0.030 1 120 20 20 LYS HG3 H 1.476 0.030 1 121 20 20 LYS CA C 60.088 0.300 1 122 20 20 LYS CB C 32.792 0.300 1 123 20 20 LYS CD C 29.760 0.300 1 124 20 20 LYS CE C 42.768 0.300 1 125 20 20 LYS CG C 26.941 0.300 1 126 20 20 LYS N N 119.522 0.300 1 127 21 21 MET H H 8.479 0.030 1 128 21 21 MET HA H 4.014 0.030 1 129 21 21 MET HB2 H 2.304 0.030 2 130 21 21 MET HB3 H 2.088 0.030 2 131 21 21 MET HE H 2.174 0.030 1 132 21 21 MET HG2 H 2.557 0.030 2 133 21 21 MET HG3 H 2.821 0.030 2 134 21 21 MET C C 178.358 0.300 1 135 21 21 MET CA C 59.095 0.300 1 136 21 21 MET CB C 32.670 0.300 1 137 21 21 MET CE C 18.180 0.300 1 138 21 21 MET CG C 33.587 0.300 1 139 21 21 MET N N 116.475 0.300 1 140 22 22 ALA H H 7.851 0.030 1 141 22 22 ALA HA H 4.137 0.030 1 142 22 22 ALA HB H 1.580 0.030 1 143 22 22 ALA C C 180.416 0.300 1 144 22 22 ALA CA C 55.257 0.300 1 145 22 22 ALA CB C 17.817 0.300 1 146 22 22 ALA N N 122.817 0.300 1 147 23 23 VAL H H 7.750 0.030 1 148 23 23 VAL HA H 3.863 0.030 1 149 23 23 VAL HB H 2.284 0.030 1 150 23 23 VAL HG1 H 1.149 0.030 1 151 23 23 VAL HG2 H 0.938 0.030 1 152 23 23 VAL C C 178.996 0.300 1 153 23 23 VAL CA C 66.633 0.300 1 154 23 23 VAL CB C 31.996 0.300 1 155 23 23 VAL CG1 C 22.525 0.300 2 156 23 23 VAL CG2 C 22.051 0.300 2 157 23 23 VAL N N 120.034 0.300 1 158 24 24 ILE H H 8.167 0.030 1 159 24 24 ILE HA H 3.503 0.030 1 160 24 24 ILE HB H 1.942 0.030 1 161 24 24 ILE HD1 H 0.833 0.030 1 162 24 24 ILE HG12 H 0.755 0.030 2 163 24 24 ILE HG13 H 2.068 0.030 2 164 24 24 ILE HG2 H 0.864 0.030 1 165 24 24 ILE C C 178.143 0.300 1 166 24 24 ILE CA C 66.771 0.300 1 167 24 24 ILE CB C 38.163 0.300 1 168 24 24 ILE CD1 C 14.339 0.300 1 169 24 24 ILE CG1 C 29.386 0.300 1 170 24 24 ILE CG2 C 17.929 0.300 1 171 24 24 ILE N N 118.685 0.300 1 172 25 25 SER H H 8.425 0.030 1 173 25 25 SER HA H 3.903 0.030 1 174 25 25 SER HB2 H 3.821 0.030 2 175 25 25 SER HB3 H 3.854 0.030 2 176 25 25 SER CA C 62.724 0.300 1 177 25 25 SER CB C 62.594 0.300 1 178 25 25 SER N N 113.330 0.300 1 179 26 26 GLU H H 7.658 0.030 1 180 26 26 GLU HA H 3.959 0.030 1 181 26 26 GLU HB2 H 2.092 0.030 2 182 26 26 GLU HB3 H 1.884 0.030 2 183 26 26 GLU HG2 H 2.185 0.030 2 184 26 26 GLU HG3 H 1.894 0.030 2 185 26 26 GLU CA C 58.629 0.300 1 186 26 26 GLU CB C 29.771 0.300 1 187 26 26 GLU CG C 35.923 0.300 1 188 26 26 GLU N N 120.022 0.300 1 189 27 27 HIS H H 7.469 0.030 1 190 27 27 HIS HA H 4.539 0.030 1 191 27 27 HIS HB2 H 3.194 0.030 2 192 27 27 HIS HB3 H 2.694 0.030 2 193 27 27 HIS HD2 H 7.430 0.030 1 194 27 27 HIS HE1 H 7.859 0.030 1 195 27 27 HIS CA C 57.750 0.300 1 196 27 27 HIS CB C 32.247 0.300 1 197 27 27 HIS CD2 C 121.860 0.300 1 198 27 27 HIS CE1 C 138.365 0.300 1 199 27 27 HIS N N 113.401 0.300 1 200 28 28 LEU H H 7.952 0.030 1 201 28 28 LEU HA H 3.916 0.030 1 202 28 28 LEU HB2 H 2.102 0.030 2 203 28 28 LEU HB3 H 1.507 0.030 2 204 28 28 LEU HD1 H 0.823 0.030 1 205 28 28 LEU HD2 H 0.738 0.030 1 206 28 28 LEU HG H 1.863 0.030 1 207 28 28 LEU C C 178.208 0.300 1 208 28 28 LEU CA C 58.827 0.300 1 209 28 28 LEU CB C 42.836 0.300 1 210 28 28 LEU CD1 C 25.636 0.300 2 211 28 28 LEU CD2 C 24.442 0.300 2 212 28 28 LEU CG C 26.793 0.300 1 213 28 28 LEU N N 124.101 0.300 1 214 29 29 GLY H H 8.862 0.030 1 215 29 29 GLY HA2 H 3.555 0.030 2 216 29 29 GLY HA3 H 4.040 0.030 2 217 29 29 GLY C C 175.161 0.300 1 218 29 29 GLY CA C 46.841 0.300 1 219 29 29 GLY N N 108.148 0.300 1 220 30 30 LEU H H 9.041 0.030 1 221 30 30 LEU HA H 4.133 0.030 1 222 30 30 LEU HB2 H 1.829 0.030 2 223 30 30 LEU HB3 H 1.707 0.030 2 224 30 30 LEU HD1 H 1.004 0.030 1 225 30 30 LEU HD2 H 1.026 0.030 1 226 30 30 LEU C C 178.863 0.300 1 227 30 30 LEU CA C 57.094 0.300 1 228 30 30 LEU CB C 42.488 0.300 1 229 30 30 LEU CD1 C 25.100 0.300 2 230 30 30 LEU CD2 C 24.171 0.300 2 231 30 30 LEU CG C 26.941 0.300 1 232 30 30 LEU N N 125.734 0.300 1 233 31 31 SER H H 8.250 0.030 1 234 31 31 SER HA H 4.472 0.030 1 235 31 31 SER HB2 H 4.147 0.030 2 236 31 31 SER HB3 H 3.961 0.030 2 237 31 31 SER C C 175.226 0.300 1 238 31 31 SER CA C 60.655 0.300 1 239 31 31 SER CB C 63.212 0.300 1 240 31 31 SER N N 113.064 0.300 1 241 32 32 TRP H H 8.014 0.030 1 242 32 32 TRP HA H 4.081 0.030 1 243 32 32 TRP HB2 H 3.555 0.030 2 244 32 32 TRP HB3 H 3.307 0.030 2 245 32 32 TRP HD1 H 7.774 0.030 1 246 32 32 TRP HE1 H 10.055 0.030 1 247 32 32 TRP HE3 H 7.277 0.030 1 248 32 32 TRP HH2 H 7.516 0.030 1 249 32 32 TRP HZ2 H 7.148 0.030 1 250 32 32 TRP HZ3 H 6.690 0.030 1 251 32 32 TRP C C 177.125 0.300 1 252 32 32 TRP CA C 61.000 0.300 1 253 32 32 TRP CB C 27.925 0.300 1 254 32 32 TRP CD1 C 128.744 0.300 1 255 32 32 TRP CE3 C 120.291 0.300 1 256 32 32 TRP CH2 C 125.048 0.300 1 257 32 32 TRP CZ2 C 114.218 0.300 1 258 32 32 TRP CZ3 C 120.792 0.300 1 259 32 32 TRP N N 121.742 0.300 1 260 32 32 TRP NE1 N 128.746 0.300 1 261 33 33 ALA H H 6.197 0.030 1 262 33 33 ALA HA H 3.251 0.030 1 263 33 33 ALA HB H 0.461 0.030 1 264 33 33 ALA C C 179.701 0.300 1 265 33 33 ALA CA C 55.606 0.300 1 266 33 33 ALA CB C 16.923 0.300 1 267 33 33 ALA N N 124.176 0.300 1 268 34 34 GLU H H 7.229 0.030 1 269 34 34 GLU HA H 4.049 0.030 1 270 34 34 GLU HB2 H 2.102 0.030 1 271 34 34 GLU HB3 H 2.102 0.030 1 272 34 34 GLU HG2 H 2.282 0.030 2 273 34 34 GLU HG3 H 2.313 0.030 2 274 34 34 GLU C C 179.419 0.300 1 275 34 34 GLU CA C 58.823 0.300 1 276 34 34 GLU CB C 29.320 0.300 1 277 34 34 GLU CG C 36.638 0.300 1 278 34 34 GLU N N 119.573 0.300 1 279 35 35 LEU H H 8.102 0.030 1 280 35 35 LEU HA H 3.896 0.030 1 281 35 35 LEU HB2 H 2.129 0.030 2 282 35 35 LEU HB3 H 1.252 0.030 2 283 35 35 LEU HD1 H 0.751 0.030 1 284 35 35 LEU HD2 H 0.734 0.030 1 285 35 35 LEU HG H 1.484 0.030 1 286 35 35 LEU C C 177.806 0.300 1 287 35 35 LEU CA C 57.742 0.300 1 288 35 35 LEU CB C 40.740 0.300 1 289 35 35 LEU CD1 C 26.596 0.300 2 290 35 35 LEU CD2 C 24.003 0.300 2 291 35 35 LEU CG C 26.592 0.300 1 292 35 35 LEU N N 121.163 0.300 1 293 36 36 ALA H H 8.708 0.030 1 294 36 36 ALA HA H 4.015 0.030 1 295 36 36 ALA HB H 1.555 0.030 1 296 36 36 ALA C C 178.971 0.300 1 297 36 36 ALA CA C 55.496 0.300 1 298 36 36 ALA CB C 19.008 0.300 1 299 36 36 ALA N N 119.316 0.300 1 300 37 37 ARG H H 7.407 0.030 1 301 37 37 ARG HA H 4.227 0.030 1 302 37 37 ARG HB2 H 1.897 0.030 2 303 37 37 ARG HB3 H 2.048 0.030 2 304 37 37 ARG HD2 H 3.288 0.030 2 305 37 37 ARG HD3 H 3.180 0.030 2 306 37 37 ARG HG2 H 1.851 0.030 2 307 37 37 ARG HG3 H 1.590 0.030 2 308 37 37 ARG C C 180.873 0.300 1 309 37 37 ARG CA C 59.200 0.300 1 310 37 37 ARG CB C 29.564 0.300 1 311 37 37 ARG CD C 42.860 0.300 1 312 37 37 ARG CG C 26.838 0.300 1 313 37 37 ARG N N 117.258 0.300 1 314 38 38 GLU H H 8.014 0.030 1 315 38 38 GLU HA H 4.133 0.030 1 316 38 38 GLU HB2 H 2.130 0.030 1 317 38 38 GLU HB3 H 2.130 0.030 1 318 38 38 GLU HG2 H 2.294 0.030 2 319 38 38 GLU HG3 H 2.468 0.030 2 320 38 38 GLU C C 178.364 0.300 1 321 38 38 GLU CA C 58.581 0.300 1 322 38 38 GLU CB C 29.441 0.300 1 323 38 38 GLU CG C 35.542 0.300 1 324 38 38 GLU N N 123.255 0.300 1 325 39 39 LEU H H 8.178 0.030 1 326 39 39 LEU HA H 4.498 0.030 1 327 39 39 LEU HB2 H 1.920 0.030 2 328 39 39 LEU HB3 H 2.055 0.030 2 329 39 39 LEU HD1 H 0.342 0.030 1 330 39 39 LEU HD2 H 0.584 0.030 1 331 39 39 LEU HG H 1.671 0.030 1 332 39 39 LEU C C 175.162 0.300 1 333 39 39 LEU CA C 54.409 0.300 1 334 39 39 LEU CB C 41.975 0.300 1 335 39 39 LEU CD1 C 24.937 0.300 2 336 39 39 LEU CD2 C 21.084 0.300 2 337 39 39 LEU CG C 25.891 0.300 1 338 39 39 LEU N N 117.362 0.300 1 339 40 40 GLN H H 8.012 0.030 1 340 40 40 GLN HA H 3.921 0.030 1 341 40 40 GLN HB2 H 2.270 0.030 2 342 40 40 GLN HB3 H 2.363 0.030 2 343 40 40 GLN HE21 H 7.469 0.030 2 344 40 40 GLN HE22 H 6.840 0.030 2 345 40 40 GLN HG2 H 2.276 0.030 2 346 40 40 GLN HG3 H 2.230 0.030 2 347 40 40 GLN C C 176.503 0.300 1 348 40 40 GLN CA C 57.265 0.300 1 349 40 40 GLN CB C 24.738 0.300 1 350 40 40 GLN CG C 34.185 0.300 1 351 40 40 GLN N N 111.192 0.300 1 352 40 40 GLN NE2 N 113.261 0.300 1 353 41 41 PHE H H 8.280 0.030 1 354 41 41 PHE HA H 4.688 0.030 1 355 41 41 PHE HB2 H 3.130 0.030 2 356 41 41 PHE HB3 H 2.791 0.030 2 357 41 41 PHE HD1 H 7.556 0.030 1 358 41 41 PHE HD2 H 7.556 0.030 1 359 41 41 PHE HE1 H 7.357 0.030 1 360 41 41 PHE HE2 H 7.357 0.030 1 361 41 41 PHE HZ H 7.110 0.030 1 362 41 41 PHE C C 175.623 0.300 1 363 41 41 PHE CA C 59.541 0.300 1 364 41 41 PHE CB C 38.944 0.300 1 365 41 41 PHE CD1 C 131.986 0.300 1 366 41 41 PHE CD2 C 131.986 0.300 1 367 41 41 PHE CE1 C 131.183 0.300 1 368 41 41 PHE CE2 C 131.183 0.300 1 369 41 41 PHE CZ C 128.215 0.300 1 370 41 41 PHE N N 118.096 0.300 1 371 42 42 SER H H 9.509 0.030 1 372 42 42 SER HA H 4.585 0.030 1 373 42 42 SER HB2 H 4.126 0.030 2 374 42 42 SER HB3 H 4.489 0.030 2 375 42 42 SER C C 175.247 0.300 1 376 42 42 SER CA C 56.939 0.300 1 377 42 42 SER CB C 66.460 0.300 1 378 42 42 SER N N 118.597 0.300 1 379 43 43 VAL H H 8.717 0.030 1 380 43 43 VAL HA H 3.728 0.030 1 381 43 43 VAL HB H 2.090 0.030 1 382 43 43 VAL HG1 H 1.099 0.030 1 383 43 43 VAL HG2 H 0.998 0.030 1 384 43 43 VAL C C 178.081 0.300 1 385 43 43 VAL CA C 66.369 0.300 1 386 43 43 VAL CB C 31.757 0.300 1 387 43 43 VAL CG1 C 22.084 0.300 2 388 43 43 VAL CG2 C 21.073 0.300 2 389 43 43 VAL N N 119.947 0.300 1 390 44 44 GLU H H 8.392 0.030 1 391 44 44 GLU HA H 4.124 0.030 1 392 44 44 GLU HB2 H 1.985 0.030 2 393 44 44 GLU HB3 H 2.102 0.030 2 394 44 44 GLU HG2 H 2.425 0.030 2 395 44 44 GLU HG3 H 2.326 0.030 2 396 44 44 GLU C C 179.584 0.300 1 397 44 44 GLU CA C 60.268 0.300 1 398 44 44 GLU CB C 28.991 0.300 1 399 44 44 GLU CG C 37.001 0.300 1 400 44 44 GLU N N 119.744 0.300 1 401 45 45 ASP H H 8.103 0.030 1 402 45 45 ASP HA H 4.492 0.030 1 403 45 45 ASP HB2 H 3.289 0.030 2 404 45 45 ASP HB3 H 2.545 0.030 2 405 45 45 ASP C C 177.808 0.300 1 406 45 45 ASP CA C 57.837 0.300 1 407 45 45 ASP CB C 41.119 0.300 1 408 45 45 ASP N N 121.190 0.300 1 409 46 46 ILE H H 8.101 0.030 1 410 46 46 ILE HA H 3.682 0.030 1 411 46 46 ILE HB H 1.933 0.030 1 412 46 46 ILE HD1 H 0.761 0.030 1 413 46 46 ILE HG12 H 1.826 0.030 2 414 46 46 ILE HG13 H 0.759 0.030 2 415 46 46 ILE HG2 H 0.854 0.030 1 416 46 46 ILE C C 179.168 0.300 1 417 46 46 ILE CA C 66.462 0.300 1 418 46 46 ILE CB C 38.802 0.300 1 419 46 46 ILE CD1 C 14.337 0.300 1 420 46 46 ILE CG1 C 30.490 0.300 1 421 46 46 ILE CG2 C 16.852 0.300 1 422 46 46 ILE N N 121.250 0.300 1 423 47 47 ASN H H 8.513 0.030 1 424 47 47 ASN HA H 4.474 0.030 1 425 47 47 ASN HB2 H 2.868 0.030 1 426 47 47 ASN HB3 H 2.868 0.030 1 427 47 47 ASN HD21 H 6.922 0.030 2 428 47 47 ASN HD22 H 7.727 0.030 2 429 47 47 ASN C C 177.438 0.300 1 430 47 47 ASN CA C 56.280 0.300 1 431 47 47 ASN CB C 38.084 0.300 1 432 47 47 ASN N N 117.444 0.300 1 433 47 47 ASN ND2 N 112.998 0.300 1 434 48 48 ARG H H 8.117 0.030 1 435 48 48 ARG HA H 4.049 0.030 1 436 48 48 ARG HB2 H 1.980 0.030 2 437 48 48 ARG HD2 H 3.244 0.030 1 438 48 48 ARG HD3 H 3.244 0.030 1 439 48 48 ARG HE H 7.423 0.030 1 440 48 48 ARG HG2 H 1.674 0.030 2 441 48 48 ARG HG3 H 1.493 0.030 2 442 48 48 ARG C C 177.980 0.300 1 443 48 48 ARG CA C 59.815 0.300 1 444 48 48 ARG CB C 29.688 0.300 1 445 48 48 ARG CD C 43.498 0.300 1 446 48 48 ARG CG C 27.710 0.300 1 447 48 48 ARG N N 120.640 0.300 1 448 48 48 ARG NE N 116.600 0.300 1 449 49 49 ILE H H 7.945 0.030 1 450 49 49 ILE HA H 3.415 0.030 1 451 49 49 ILE HB H 2.063 0.030 1 452 49 49 ILE HD1 H 0.594 0.030 1 453 49 49 ILE HG12 H 1.763 0.030 2 454 49 49 ILE HG13 H 0.762 0.030 2 455 49 49 ILE HG2 H 0.258 0.030 1 456 49 49 ILE C C 179.044 0.300 1 457 49 49 ILE CA C 65.692 0.300 1 458 49 49 ILE CB C 37.434 0.300 1 459 49 49 ILE CD1 C 13.628 0.300 1 460 49 49 ILE CG1 C 29.715 0.300 1 461 49 49 ILE CG2 C 18.734 0.300 1 462 49 49 ILE N N 119.378 0.300 1 463 50 50 ARG H H 7.783 0.030 1 464 50 50 ARG HA H 3.903 0.030 1 465 50 50 ARG HB2 H 2.035 0.030 2 466 50 50 ARG HB3 H 2.142 0.030 2 467 50 50 ARG HD2 H 3.352 0.030 1 468 50 50 ARG HD3 H 3.352 0.030 1 469 50 50 ARG HG2 H 1.780 0.030 2 470 50 50 ARG HG3 H 2.102 0.030 2 471 50 50 ARG C C 178.433 0.300 1 472 50 50 ARG CA C 60.451 0.300 1 473 50 50 ARG CB C 30.573 0.300 1 474 50 50 ARG CD C 43.730 0.300 1 475 50 50 ARG CG C 29.293 0.300 1 476 50 50 ARG N N 118.226 0.300 1 477 51 51 VAL H H 8.171 0.030 1 478 51 51 VAL HA H 3.738 0.030 1 479 51 51 VAL HB H 2.178 0.030 1 480 51 51 VAL HG1 H 1.091 0.030 1 481 51 51 VAL HG2 H 0.985 0.030 1 482 51 51 VAL C C 178.690 0.300 1 483 51 51 VAL CA C 65.566 0.300 1 484 51 51 VAL CB C 32.105 0.300 1 485 51 51 VAL CG1 C 22.526 0.300 2 486 51 51 VAL CG2 C 21.206 0.300 2 487 51 51 VAL N N 117.682 0.300 1 488 52 52 GLU H H 8.375 0.030 1 489 52 52 GLU HA H 4.081 0.030 1 490 52 52 GLU HB2 H 2.008 0.030 2 491 52 52 GLU HB3 H 1.920 0.030 2 492 52 52 GLU HG2 H 2.222 0.030 2 493 52 52 GLU HG3 H 2.584 0.030 2 494 52 52 GLU C C 176.464 0.300 1 495 52 52 GLU CA C 57.749 0.300 1 496 52 52 GLU CB C 30.317 0.300 1 497 52 52 GLU CG C 37.639 0.300 1 498 52 52 GLU N N 116.992 0.300 1 499 53 53 ASN H H 7.170 0.030 1 500 53 53 ASN HA H 5.231 0.030 1 501 53 53 ASN HB2 H 2.178 0.030 2 502 53 53 ASN HB3 H 2.678 0.030 2 503 53 53 ASN HD21 H 7.942 0.030 2 504 53 53 ASN HD22 H 7.319 0.030 2 505 53 53 ASN CA C 51.055 0.300 1 506 53 53 ASN CB C 40.171 0.300 1 507 53 53 ASN N N 115.582 0.300 1 508 53 53 ASN ND2 N 117.976 0.300 1 509 54 54 PRO HA H 4.456 0.030 1 510 54 54 PRO HB2 H 2.250 0.030 2 511 54 54 PRO HB3 H 1.953 0.030 2 512 54 54 PRO HD2 H 3.499 0.030 2 513 54 54 PRO HD3 H 3.423 0.030 2 514 54 54 PRO HG2 H 1.998 0.030 2 515 54 54 PRO HG3 H 1.854 0.030 2 516 54 54 PRO C C 179.152 0.300 1 517 54 54 PRO CA C 64.688 0.300 1 518 54 54 PRO CB C 32.920 0.300 1 519 54 54 PRO CD C 49.630 0.300 1 520 54 54 PRO CG C 26.951 0.300 1 521 55 55 ASN H H 8.784 0.030 1 522 55 55 ASN HA H 4.591 0.030 1 523 55 55 ASN HB2 H 2.909 0.030 1 524 55 55 ASN HB3 H 2.909 0.030 1 525 55 55 ASN HD21 H 7.016 0.030 2 526 55 55 ASN HD22 H 7.970 0.030 2 527 55 55 ASN C C 175.193 0.300 1 528 55 55 ASN CA C 55.336 0.300 1 529 55 55 ASN CB C 39.284 0.300 1 530 55 55 ASN N N 115.281 0.300 1 531 55 55 ASN ND2 N 114.655 0.300 1 532 56 56 SER H H 6.930 0.030 1 533 56 56 SER HA H 4.757 0.030 1 534 56 56 SER HB2 H 3.998 0.030 2 535 56 56 SER HB3 H 3.861 0.030 2 536 56 56 SER CA C 58.296 0.300 1 537 56 56 SER CB C 64.608 0.300 1 538 56 56 SER N N 109.338 0.300 1 539 57 57 LEU H H 8.702 0.030 1 540 57 57 LEU HA H 4.107 0.030 1 541 57 57 LEU HB2 H 1.891 0.030 2 542 57 57 LEU HB3 H 1.398 0.030 2 543 57 57 LEU HD1 H 1.041 0.030 1 544 57 57 LEU HD2 H 1.154 0.030 1 545 57 57 LEU CA C 57.261 0.300 1 546 57 57 LEU CB C 42.201 0.300 1 547 57 57 LEU CD1 C 25.801 0.300 2 548 57 57 LEU CD2 C 23.326 0.300 2 549 57 57 LEU CG C 26.871 0.300 1 550 57 57 LEU N N 125.149 0.300 1 551 58 58 LEU H H 8.128 0.030 1 552 58 58 LEU HA H 4.186 0.030 1 553 58 58 LEU HB2 H 1.638 0.030 1 554 58 58 LEU HB3 H 1.638 0.030 1 555 58 58 LEU HD1 H 0.884 0.030 1 556 58 58 LEU HD2 H 0.857 0.030 1 557 58 58 LEU HG H 1.479 0.030 1 558 58 58 LEU CA C 58.356 0.300 1 559 58 58 LEU CB C 41.914 0.300 1 560 58 58 LEU CD1 C 25.520 0.300 2 561 58 58 LEU CD2 C 23.937 0.300 2 562 58 58 LEU CG C 27.168 0.300 1 563 58 58 LEU N N 122.035 0.300 1 564 59 59 GLU H H 7.910 0.030 1 565 59 59 GLU HA H 3.742 0.030 1 566 59 59 GLU HB2 H 2.114 0.030 2 567 59 59 GLU HB3 H 1.884 0.030 2 568 59 59 GLU HG2 H 2.298 0.030 2 569 59 59 GLU HG3 H 2.246 0.030 2 570 59 59 GLU CA C 59.356 0.300 1 571 59 59 GLU CB C 29.905 0.300 1 572 59 59 GLU CG C 37.561 0.300 1 573 59 59 GLU N N 116.538 0.300 1 574 60 60 GLN H H 7.355 0.030 1 575 60 60 GLN HA H 3.180 0.030 1 576 60 60 GLN HB2 H 1.621 0.030 2 577 60 60 GLN HB3 H 0.326 0.030 2 578 60 60 GLN HE21 H 6.785 0.030 2 579 60 60 GLN HE22 H 7.819 0.030 2 580 60 60 GLN HG2 H 2.054 0.030 2 581 60 60 GLN HG3 H 3.038 0.030 2 582 60 60 GLN CA C 58.995 0.300 1 583 60 60 GLN CB C 25.265 0.300 1 584 60 60 GLN CG C 34.762 0.300 1 585 60 60 GLN N N 119.235 0.300 1 586 60 60 GLN NE2 N 123.970 0.300 1 587 61 61 SER H H 7.772 0.030 1 588 61 61 SER HA H 3.665 0.030 1 589 61 61 SER HB2 H 4.329 0.030 2 590 61 61 SER HB3 H 3.746 0.030 2 591 61 61 SER CA C 63.244 0.300 1 592 61 61 SER CB C 63.697 0.300 1 593 61 61 SER N N 115.590 0.300 1 594 62 62 VAL H H 8.421 0.030 1 595 62 62 VAL HA H 3.446 0.030 1 596 62 62 VAL HB H 1.887 0.030 1 597 62 62 VAL HG1 H 1.019 0.030 1 598 62 62 VAL HG2 H 0.870 0.030 1 599 62 62 VAL C C 178.345 0.300 1 600 62 62 VAL CA C 66.482 0.300 1 601 62 62 VAL CB C 32.388 0.300 1 602 62 62 VAL CG1 C 23.169 0.300 2 603 62 62 VAL CG2 C 21.073 0.300 2 604 62 62 VAL N N 121.306 0.300 1 605 63 63 ALA H H 7.628 0.030 1 606 63 63 ALA HA H 4.056 0.030 1 607 63 63 ALA HB H 1.352 0.030 1 608 63 63 ALA C C 180.726 0.300 1 609 63 63 ALA CA C 55.029 0.300 1 610 63 63 ALA CB C 18.549 0.300 1 611 63 63 ALA N N 121.261 0.300 1 612 64 64 LEU H H 7.934 0.030 1 613 64 64 LEU HA H 3.767 0.030 1 614 64 64 LEU HB2 H 2.054 0.030 2 615 64 64 LEU HB3 H 1.438 0.030 2 616 64 64 LEU HD1 H 1.007 0.030 1 617 64 64 LEU HD2 H 0.524 0.030 1 618 64 64 LEU HG H 1.476 0.030 1 619 64 64 LEU CA C 57.825 0.300 1 620 64 64 LEU CB C 40.599 0.300 1 621 64 64 LEU CD1 C 26.278 0.300 2 622 64 64 LEU CD2 C 23.169 0.300 2 623 64 64 LEU CG C 27.485 0.300 1 624 64 64 LEU N N 119.344 0.300 1 625 65 65 LEU H H 7.876 0.030 1 626 65 65 LEU HA H 4.122 0.030 1 627 65 65 LEU HB2 H 1.644 0.030 2 628 65 65 LEU HB3 H 1.969 0.030 2 629 65 65 LEU HD1 H 0.861 0.030 1 630 65 65 LEU HD2 H 0.658 0.030 1 631 65 65 LEU HG H 1.819 0.030 1 632 65 65 LEU CA C 58.120 0.300 1 633 65 65 LEU CB C 40.294 0.300 1 634 65 65 LEU CD1 C 26.296 0.300 2 635 65 65 LEU CD2 C 22.292 0.300 2 636 65 65 LEU CG C 27.362 0.300 1 637 65 65 LEU N N 117.988 0.300 1 638 66 66 ASN H H 8.425 0.030 1 639 66 66 ASN HA H 4.545 0.030 1 640 66 66 ASN HB2 H 2.868 0.030 2 641 66 66 ASN HB3 H 2.755 0.030 2 642 66 66 ASN HD21 H 6.853 0.030 2 643 66 66 ASN HD22 H 7.521 0.030 2 644 66 66 ASN C C 177.620 0.300 1 645 66 66 ASN CA C 56.209 0.300 1 646 66 66 ASN CB C 38.441 0.300 1 647 66 66 ASN N N 117.726 0.300 1 648 66 66 ASN ND2 N 112.244 0.300 1 649 67 67 LEU H H 8.141 0.030 1 650 67 67 LEU HA H 4.128 0.030 1 651 67 67 LEU HB2 H 1.811 0.030 1 652 67 67 LEU HB3 H 1.811 0.030 1 653 67 67 LEU HD1 H 0.892 0.030 1 654 67 67 LEU HD2 H 0.734 0.030 1 655 67 67 LEU HG H 1.784 0.030 1 656 67 67 LEU C C 179.448 0.300 1 657 67 67 LEU CA C 58.090 0.300 1 658 67 67 LEU CB C 42.038 0.300 1 659 67 67 LEU CD1 C 24.125 0.300 2 660 67 67 LEU CD2 C 24.446 0.300 2 661 67 67 LEU CG C 26.786 0.300 1 662 67 67 LEU N N 121.484 0.300 1 663 68 68 TRP H H 8.772 0.030 1 664 68 68 TRP HA H 4.388 0.030 1 665 68 68 TRP HB2 H 3.318 0.030 2 666 68 68 TRP HB3 H 3.914 0.030 2 667 68 68 TRP HD1 H 7.310 0.030 1 668 68 68 TRP HE1 H 10.685 0.030 1 669 68 68 TRP HE3 H 7.624 0.030 1 670 68 68 TRP HH2 H 6.919 0.030 1 671 68 68 TRP HZ2 H 7.388 0.030 1 672 68 68 TRP HZ3 H 6.911 0.030 1 673 68 68 TRP C C 176.476 0.300 1 674 68 68 TRP CA C 63.453 0.300 1 675 68 68 TRP CB C 27.924 0.300 1 676 68 68 TRP CD1 C 125.648 0.300 1 677 68 68 TRP CE3 C 120.443 0.300 1 678 68 68 TRP CH2 C 124.293 0.300 1 679 68 68 TRP CZ2 C 113.841 0.300 1 680 68 68 TRP CZ3 C 121.703 0.300 1 681 68 68 TRP N N 121.539 0.300 1 682 68 68 TRP NE1 N 130.933 0.300 1 683 69 69 VAL H H 8.373 0.030 1 684 69 69 VAL HA H 3.060 0.030 1 685 69 69 VAL HB H 2.282 0.030 1 686 69 69 VAL HG1 H 1.260 0.030 1 687 69 69 VAL HG2 H 0.918 0.030 1 688 69 69 VAL C C 179.665 0.300 1 689 69 69 VAL CA C 67.069 0.300 1 690 69 69 VAL CB C 31.844 0.300 1 691 69 69 VAL CG1 C 23.798 0.300 2 692 69 69 VAL CG2 C 21.500 0.300 2 693 69 69 VAL N N 118.452 0.300 1 694 70 70 ILE H H 7.944 0.030 1 695 70 70 ILE HA H 3.670 0.030 1 696 70 70 ILE HB H 1.935 0.030 1 697 70 70 ILE HD1 H 0.840 0.030 1 698 70 70 ILE HG12 H 1.721 0.030 2 699 70 70 ILE HG13 H 1.185 0.030 2 700 70 70 ILE HG2 H 0.919 0.030 1 701 70 70 ILE C C 178.521 0.300 1 702 70 70 ILE CA C 64.612 0.300 1 703 70 70 ILE CB C 38.087 0.300 1 704 70 70 ILE CD1 C 13.090 0.300 1 705 70 70 ILE CG1 C 29.378 0.300 1 706 70 70 ILE CG2 C 17.078 0.300 1 707 70 70 ILE N N 120.563 0.300 1 708 71 71 ARG H H 8.439 0.030 1 709 71 71 ARG HA H 3.929 0.030 1 710 71 71 ARG HB2 H 2.067 0.030 1 711 71 71 ARG HB3 H 2.067 0.030 1 712 71 71 ARG HD2 H 3.134 0.030 2 713 71 71 ARG HD3 H 2.834 0.030 2 714 71 71 ARG HE H 7.484 0.030 1 715 71 71 ARG HG2 H 1.403 0.030 2 716 71 71 ARG HG3 H 1.845 0.030 2 717 71 71 ARG CA C 59.447 0.300 1 718 71 71 ARG CB C 31.444 0.300 1 719 71 71 ARG CD C 44.020 0.300 1 720 71 71 ARG CG C 26.548 0.300 1 721 71 71 ARG CZ C 159.000 0.300 1 722 71 71 ARG N N 121.283 0.300 1 723 71 71 ARG NE N 116.582 0.300 1 724 72 72 GLU H H 8.312 0.030 1 725 72 72 GLU HA H 3.847 0.030 1 726 72 72 GLU HB2 H 1.506 0.030 2 727 72 72 GLU HB3 H 1.033 0.030 2 728 72 72 GLU HG2 H 1.284 0.030 2 729 72 72 GLU HG3 H 1.687 0.030 2 730 72 72 GLU C C 178.741 0.300 1 731 72 72 GLU CA C 56.566 0.300 1 732 72 72 GLU CB C 30.232 0.300 1 733 72 72 GLU CG C 35.780 0.300 1 734 72 72 GLU N N 114.626 0.300 1 735 73 73 GLY H H 7.861 0.030 1 736 73 73 GLY HA2 H 3.736 0.030 2 737 73 73 GLY HA3 H 3.918 0.030 2 738 73 73 GLY C C 176.250 0.300 1 739 73 73 GLY CA C 46.407 0.300 1 740 73 73 GLY N N 108.505 0.300 1 741 74 74 GLN H H 8.978 0.030 1 742 74 74 GLN HA H 4.111 0.030 1 743 74 74 GLN HB2 H 2.052 0.030 2 744 74 74 GLN HB3 H 2.144 0.030 2 745 74 74 GLN HG2 H 2.401 0.030 1 746 74 74 GLN HG3 H 2.401 0.030 1 747 74 74 GLN C C 175.934 0.300 1 748 74 74 GLN CA C 57.611 0.300 1 749 74 74 GLN CB C 28.468 0.300 1 750 74 74 GLN CG C 33.831 0.300 1 751 74 74 GLN N N 124.053 0.300 1 752 75 75 ASN H H 8.093 0.030 1 753 75 75 ASN HA H 4.774 0.030 1 754 75 75 ASN HB2 H 2.953 0.030 2 755 75 75 ASN HB3 H 2.753 0.030 2 756 75 75 ASN HD21 H 6.943 0.030 2 757 75 75 ASN HD22 H 7.740 0.030 2 758 75 75 ASN C C 175.019 0.300 1 759 75 75 ASN CA C 52.733 0.300 1 760 75 75 ASN CB C 38.826 0.300 1 761 75 75 ASN N N 115.719 0.300 1 762 75 75 ASN ND2 N 114.070 0.300 1 763 76 76 ALA H H 7.318 0.030 1 764 76 76 ALA HA H 3.622 0.030 1 765 76 76 ALA HB H 0.873 0.030 1 766 76 76 ALA C C 176.079 0.300 1 767 76 76 ALA CA C 53.004 0.300 1 768 76 76 ALA CB C 17.803 0.300 1 769 76 76 ALA N N 124.344 0.300 1 770 77 77 ASN H H 8.024 0.030 1 771 77 77 ASN HA H 4.898 0.030 1 772 77 77 ASN HB2 H 3.060 0.030 2 773 77 77 ASN HB3 H 2.834 0.030 2 774 77 77 ASN HD21 H 7.575 0.030 2 775 77 77 ASN HD22 H 6.988 0.030 2 776 77 77 ASN C C 176.270 0.300 1 777 77 77 ASN CA C 52.063 0.300 1 778 77 77 ASN CB C 39.781 0.300 1 779 77 77 ASN N N 121.155 0.300 1 780 77 77 ASN ND2 N 112.181 0.300 1 781 78 78 MET H H 9.163 0.030 1 782 78 78 MET HA H 4.210 0.030 1 783 78 78 MET HB2 H 1.577 0.030 2 784 78 78 MET HB3 H 1.929 0.030 2 785 78 78 MET HE H 2.002 0.030 1 786 78 78 MET HG2 H 2.553 0.030 1 787 78 78 MET HG3 H 2.553 0.030 1 788 78 78 MET CA C 56.713 0.300 1 789 78 78 MET CB C 30.999 0.300 1 790 78 78 MET CE C 17.017 0.300 1 791 78 78 MET CG C 32.477 0.300 1 792 78 78 MET N N 124.537 0.300 1 793 79 79 GLU H H 8.372 0.030 1 794 79 79 GLU HA H 3.832 0.030 1 795 79 79 GLU HB2 H 2.026 0.030 2 796 79 79 GLU HB3 H 1.990 0.030 2 797 79 79 GLU HG2 H 2.337 0.030 2 798 79 79 GLU HG3 H 2.369 0.030 2 799 79 79 GLU CA C 59.710 0.300 1 800 79 79 GLU CB C 28.758 0.300 1 801 79 79 GLU CG C 36.465 0.300 1 802 79 79 GLU N N 117.078 0.300 1 803 80 80 ASN H H 7.914 0.030 1 804 80 80 ASN HA H 4.612 0.030 1 805 80 80 ASN HB2 H 3.207 0.030 2 806 80 80 ASN HB3 H 3.039 0.030 2 807 80 80 ASN HD21 H 8.101 0.030 2 808 80 80 ASN HD22 H 7.202 0.030 2 809 80 80 ASN CA C 55.655 0.300 1 810 80 80 ASN CB C 37.979 0.300 1 811 80 80 ASN N N 116.530 0.300 1 812 80 80 ASN ND2 N 112.930 0.300 1 813 81 81 LEU H H 7.203 0.030 1 814 81 81 LEU HA H 3.838 0.030 1 815 81 81 LEU HB2 H 1.504 0.030 2 816 81 81 LEU HB3 H 1.269 0.030 2 817 81 81 LEU HD1 H 0.275 0.030 1 818 81 81 LEU HD2 H 0.289 0.030 1 819 81 81 LEU HG H 1.118 0.030 1 820 81 81 LEU CA C 57.470 0.300 1 821 81 81 LEU CB C 41.148 0.300 1 822 81 81 LEU CD1 C 25.173 0.300 2 823 81 81 LEU CD2 C 24.308 0.300 2 824 81 81 LEU CG C 26.867 0.300 1 825 81 81 LEU N N 122.214 0.300 1 826 82 82 TYR H H 8.494 0.030 1 827 82 82 TYR HA H 4.350 0.030 1 828 82 82 TYR HB2 H 3.341 0.030 2 829 82 82 TYR HB3 H 3.125 0.030 2 830 82 82 TYR HD1 H 6.832 0.030 1 831 82 82 TYR HD2 H 6.832 0.030 1 832 82 82 TYR HE1 H 6.625 0.030 1 833 82 82 TYR HE2 H 6.625 0.030 1 834 82 82 TYR C C 178.810 0.300 1 835 82 82 TYR CA C 58.001 0.300 1 836 82 82 TYR CB C 35.730 0.300 1 837 82 82 TYR CD1 C 130.713 0.300 1 838 82 82 TYR CD2 C 130.713 0.300 1 839 82 82 TYR CE1 C 118.283 0.300 1 840 82 82 TYR CE2 C 118.283 0.300 1 841 82 82 TYR N N 119.154 0.300 1 842 83 83 THR H H 8.414 0.030 1 843 83 83 THR HA H 4.024 0.030 1 844 83 83 THR HB H 4.257 0.030 1 845 83 83 THR HG2 H 1.303 0.030 1 846 83 83 THR C C 176.480 0.300 1 847 83 83 THR CA C 66.659 0.300 1 848 83 83 THR CB C 68.852 0.300 1 849 83 83 THR CG2 C 21.840 0.300 1 850 83 83 THR N N 116.261 0.300 1 851 84 84 ALA H H 7.423 0.030 1 852 84 84 ALA HA H 4.224 0.030 1 853 84 84 ALA HB H 1.385 0.030 1 854 84 84 ALA C C 179.148 0.300 1 855 84 84 ALA CA C 55.440 0.300 1 856 84 84 ALA CB C 18.871 0.300 1 857 84 84 ALA N N 125.150 0.300 1 858 85 85 LEU H H 8.295 0.030 1 859 85 85 LEU HA H 3.784 0.030 1 860 85 85 LEU HB2 H 2.057 0.030 2 861 85 85 LEU HB3 H 1.139 0.030 2 862 85 85 LEU HD1 H 0.831 0.030 1 863 85 85 LEU HD2 H 0.813 0.030 1 864 85 85 LEU HG H 1.810 0.030 1 865 85 85 LEU C C 179.376 0.300 1 866 85 85 LEU CA C 57.676 0.300 1 867 85 85 LEU CB C 41.748 0.300 1 868 85 85 LEU CD1 C 25.002 0.300 2 869 85 85 LEU CD2 C 26.218 0.300 2 870 85 85 LEU CG C 26.943 0.300 1 871 85 85 LEU N N 117.245 0.300 1 872 86 86 GLN H H 8.042 0.030 1 873 86 86 GLN HA H 3.910 0.030 1 874 86 86 GLN HB2 H 2.167 0.030 2 875 86 86 GLN HB3 H 2.361 0.030 2 876 86 86 GLN HE21 H 6.883 0.030 2 877 86 86 GLN HE22 H 7.306 0.030 2 878 86 86 GLN HG2 H 2.455 0.030 2 879 86 86 GLN HG3 H 2.536 0.030 2 880 86 86 GLN C C 180.266 0.300 1 881 86 86 GLN CA C 59.050 0.300 1 882 86 86 GLN CB C 27.729 0.300 1 883 86 86 GLN CG C 34.059 0.300 1 884 86 86 GLN N N 117.616 0.300 1 885 86 86 GLN NE2 N 110.022 0.300 1 886 87 87 SER H H 8.346 0.030 1 887 87 87 SER HA H 4.305 0.030 1 888 87 87 SER HB2 H 3.937 0.030 2 889 87 87 SER HB3 H 4.091 0.030 2 890 87 87 SER C C 175.574 0.300 1 891 87 87 SER CA C 61.667 0.300 1 892 87 87 SER CB C 63.193 0.300 1 893 87 87 SER N N 117.533 0.300 1 894 88 88 ILE H H 7.190 0.030 1 895 88 88 ILE HA H 4.624 0.030 1 896 88 88 ILE HB H 2.228 0.030 1 897 88 88 ILE HD1 H 0.782 0.030 1 898 88 88 ILE HG12 H 1.545 0.030 2 899 88 88 ILE HG13 H 1.320 0.030 2 900 88 88 ILE HG2 H 0.808 0.030 1 901 88 88 ILE C C 174.587 0.300 1 902 88 88 ILE CA C 60.908 0.300 1 903 88 88 ILE CB C 37.091 0.300 1 904 88 88 ILE CD1 C 16.469 0.300 1 905 88 88 ILE CG1 C 26.393 0.300 1 906 88 88 ILE CG2 C 17.608 0.300 1 907 88 88 ILE N N 111.829 0.300 1 908 89 89 ASP H H 7.915 0.030 1 909 89 89 ASP HA H 4.562 0.030 1 910 89 89 ASP HB2 H 3.220 0.030 2 911 89 89 ASP HB3 H 2.629 0.030 2 912 89 89 ASP CA C 55.714 0.300 1 913 89 89 ASP CB C 39.362 0.300 1 914 89 89 ASP N N 117.709 0.300 1 915 90 90 ARG H H 8.160 0.030 1 916 90 90 ARG HA H 5.282 0.030 1 917 90 90 ARG HB2 H 2.190 0.030 2 918 90 90 ARG HB3 H 1.459 0.030 2 919 90 90 ARG HD2 H 3.353 0.030 2 920 90 90 ARG HD3 H 3.594 0.030 2 921 90 90 ARG HE H 8.654 0.030 1 922 90 90 ARG HG2 H 1.633 0.030 2 923 90 90 ARG HG3 H 1.475 0.030 2 924 90 90 ARG CA C 51.783 0.300 1 925 90 90 ARG CB C 26.468 0.300 1 926 90 90 ARG CD C 40.243 0.300 1 927 90 90 ARG CG C 23.819 0.300 1 928 90 90 ARG N N 115.557 0.300 1 929 90 90 ARG NE N 96.969 0.300 1 930 91 91 GLY H H 8.748 0.030 1 931 91 91 GLY HA2 H 4.002 0.030 2 932 91 91 GLY HA3 H 3.430 0.030 2 933 91 91 GLY CA C 46.928 0.300 1 934 91 91 GLY N N 107.288 0.300 1 935 92 92 GLU H H 9.639 0.030 1 936 92 92 GLU HA H 4.308 0.030 1 937 92 92 GLU HB2 H 2.055 0.030 1 938 92 92 GLU HB3 H 2.055 0.030 1 939 92 92 GLU HG2 H 2.469 0.030 2 940 92 92 GLU HG3 H 2.049 0.030 2 941 92 92 GLU CA C 58.423 0.300 1 942 92 92 GLU CB C 26.555 0.300 1 943 92 92 GLU CG C 35.504 0.300 1 944 92 92 GLU N N 124.064 0.300 1 945 93 93 ILE H H 7.619 0.030 1 946 93 93 ILE HA H 3.595 0.030 1 947 93 93 ILE HB H 1.863 0.030 1 948 93 93 ILE HD1 H 0.904 0.030 1 949 93 93 ILE HG12 H 1.787 0.030 2 950 93 93 ILE HG13 H 0.781 0.030 2 951 93 93 ILE HG2 H 0.812 0.030 1 952 93 93 ILE C C 177.078 0.300 1 953 93 93 ILE CA C 65.084 0.300 1 954 93 93 ILE CB C 38.011 0.300 1 955 93 93 ILE CD1 C 13.466 0.300 1 956 93 93 ILE CG1 C 28.837 0.300 1 957 93 93 ILE CG2 C 18.569 0.300 1 958 93 93 ILE N N 121.480 0.300 1 959 94 94 VAL H H 6.614 0.030 1 960 94 94 VAL HA H 2.977 0.030 1 961 94 94 VAL HB H 2.062 0.030 1 962 94 94 VAL HG1 H 0.825 0.030 1 963 94 94 VAL HG2 H 0.339 0.030 1 964 94 94 VAL C C 177.955 0.300 1 965 94 94 VAL CA C 66.262 0.300 1 966 94 94 VAL CB C 30.953 0.300 1 967 94 94 VAL CG1 C 22.814 0.300 2 968 94 94 VAL CG2 C 20.112 0.300 2 969 94 94 VAL N N 117.782 0.300 1 970 95 95 ASN H H 7.411 0.030 1 971 95 95 ASN HA H 4.311 0.030 1 972 95 95 ASN HB2 H 2.672 0.030 2 973 95 95 ASN HB3 H 2.777 0.030 2 974 95 95 ASN HD21 H 6.832 0.030 2 975 95 95 ASN HD22 H 7.616 0.030 2 976 95 95 ASN C C 177.493 0.300 1 977 95 95 ASN CA C 55.818 0.300 1 978 95 95 ASN CB C 38.134 0.300 1 979 95 95 ASN N N 116.197 0.300 1 980 95 95 ASN ND2 N 111.461 0.300 1 981 96 96 MET H H 7.556 0.030 1 982 96 96 MET HA H 4.075 0.030 1 983 96 96 MET HB2 H 2.133 0.030 2 984 96 96 MET HB3 H 1.980 0.030 2 985 96 96 MET HE H 1.571 0.030 1 986 96 96 MET HG2 H 2.525 0.030 2 987 96 96 MET HG3 H 2.427 0.030 2 988 96 96 MET C C 177.344 0.300 1 989 96 96 MET CA C 58.384 0.300 1 990 96 96 MET CB C 32.623 0.300 1 991 96 96 MET CE C 16.517 0.300 1 992 96 96 MET CG C 31.651 0.300 1 993 96 96 MET N N 118.290 0.300 1 994 97 97 LEU H H 7.343 0.030 1 995 97 97 LEU HA H 4.210 0.030 1 996 97 97 LEU HB2 H 1.882 0.030 2 997 97 97 LEU HB3 H 1.512 0.030 2 998 97 97 LEU HD1 H 0.912 0.030 1 999 97 97 LEU HD2 H 0.937 0.030 1 1000 97 97 LEU HG H 1.865 0.030 1 1001 97 97 LEU C C 178.194 0.300 1 1002 97 97 LEU CA C 56.372 0.300 1 1003 97 97 LEU CB C 43.437 0.300 1 1004 97 97 LEU CD1 C 26.331 0.300 2 1005 97 97 LEU CD2 C 23.560 0.300 2 1006 97 97 LEU CG C 26.723 0.300 1 1007 97 97 LEU N N 118.436 0.300 1 1008 98 98 GLU H H 8.028 0.030 1 1009 98 98 GLU HA H 4.413 0.030 1 1010 98 98 GLU HB2 H 2.129 0.030 2 1011 98 98 GLU HB3 H 1.744 0.030 2 1012 98 98 GLU HG2 H 2.120 0.030 2 1013 98 98 GLU HG3 H 2.247 0.030 2 1014 98 98 GLU C C 177.536 0.300 1 1015 98 98 GLU CA C 56.077 0.300 1 1016 98 98 GLU CB C 30.723 0.300 1 1017 98 98 GLU CG C 35.762 0.300 1 1018 98 98 GLU N N 116.623 0.300 1 1019 99 99 GLY H H 8.007 0.030 1 1020 99 99 GLY HA2 H 4.032 0.030 2 1021 99 99 GLY HA3 H 3.987 0.030 2 1022 99 99 GLY C C 174.649 0.300 1 1023 99 99 GLY CA C 45.708 0.300 1 1024 99 99 GLY N N 108.856 0.300 1 1025 103 103 GLN HA H 4.350 0.030 1 1026 103 103 GLN HB2 H 2.135 0.030 2 1027 103 103 GLN HB3 H 2.006 0.030 2 1028 103 103 GLN HG2 H 2.384 0.030 1 1029 103 103 GLN HG3 H 2.384 0.030 1 1030 103 103 GLN CA C 56.040 0.300 1 1031 103 103 GLN CB C 29.343 0.300 1 1032 103 103 GLN CG C 33.825 0.300 1 1033 106 106 ASN HA H 4.683 0.030 1 1034 106 106 ASN HB2 H 2.847 0.030 2 1035 106 106 ASN HB3 H 2.717 0.030 2 1036 106 106 ASN HD21 H 7.583 0.030 2 1037 106 106 ASN HD22 H 6.904 0.030 2 1038 106 106 ASN CA C 53.209 0.300 1 1039 106 106 ASN CB C 38.793 0.300 1 1040 106 106 ASN ND2 N 112.660 0.300 1 1041 107 107 LEU H H 8.158 0.030 1 1042 107 107 LEU HA H 4.334 0.030 1 1043 107 107 LEU HB2 H 1.575 0.030 2 1044 107 107 LEU HB3 H 1.635 0.030 2 1045 107 107 LEU HD1 H 0.921 0.030 1 1046 107 107 LEU HD2 H 0.852 0.030 1 1047 107 107 LEU CA C 55.095 0.300 1 1048 107 107 LEU CB C 42.429 0.300 1 1049 107 107 LEU CD1 C 25.055 0.300 2 1050 107 107 LEU CD2 C 23.433 0.300 2 1051 107 107 LEU CG C 27.011 0.300 1 1052 107 107 LEU N N 122.605 0.300 1 1053 108 108 LYS H H 8.268 0.030 1 1054 108 108 LYS HA H 4.621 0.030 1 1055 108 108 LYS HB2 H 1.841 0.030 2 1056 108 108 LYS HB3 H 1.746 0.030 2 1057 108 108 LYS HD2 H 1.706 0.030 1 1058 108 108 LYS HD3 H 1.706 0.030 1 1059 108 108 LYS HE2 H 3.021 0.030 1 1060 108 108 LYS HE3 H 3.021 0.030 1 1061 108 108 LYS HG2 H 1.473 0.030 2 1062 108 108 LYS HG3 H 1.438 0.030 2 1063 108 108 LYS CA C 54.040 0.300 1 1064 108 108 LYS CB C 32.659 0.300 1 1065 108 108 LYS CD C 29.362 0.300 1 1066 108 108 LYS CE C 42.205 0.300 1 1067 108 108 LYS CG C 24.535 0.300 1 1068 108 108 LYS N N 123.147 0.300 1 1069 109 109 PRO HA H 4.451 0.030 1 1070 109 109 PRO HB2 H 2.298 0.030 2 1071 109 109 PRO HB3 H 1.982 0.030 2 1072 109 109 PRO HD2 H 3.784 0.030 2 1073 109 109 PRO HD3 H 3.668 0.030 2 1074 109 109 PRO HG2 H 2.019 0.030 1 1075 109 109 PRO HG3 H 2.019 0.030 1 1076 109 109 PRO C C 176.609 0.300 1 1077 109 109 PRO CA C 63.309 0.300 1 1078 109 109 PRO CB C 32.183 0.300 1 1079 109 109 PRO CD C 50.624 0.300 1 1080 109 109 PRO CG C 27.286 0.300 1 1081 110 110 ASP H H 8.452 0.030 1 1082 110 110 ASP HA H 4.568 0.030 1 1083 110 110 ASP HB2 H 2.701 0.030 2 1084 110 110 ASP HB3 H 2.637 0.030 2 1085 110 110 ASP C C 175.108 0.300 1 1086 110 110 ASP CA C 54.414 0.300 1 1087 110 110 ASP CB C 41.116 0.300 1 1088 110 110 ASP N N 120.866 0.300 1 1089 111 111 ARG H H 7.750 0.030 1 1090 111 111 ARG HA H 4.169 0.030 1 1091 111 111 ARG HB2 H 1.846 0.030 2 1092 111 111 ARG HB3 H 1.733 0.030 2 1093 111 111 ARG HD2 H 3.195 0.030 2 1094 111 111 ARG HG2 H 1.598 0.030 2 1095 111 111 ARG C C 180.806 0.300 1 1096 111 111 ARG CA C 57.263 0.300 1 1097 111 111 ARG CB C 31.552 0.300 1 1098 111 111 ARG CD C 43.471 0.300 1 1099 111 111 ARG CG C 27.092 0.300 1 1100 111 111 ARG N N 124.989 0.300 1 stop_ save_