data_11337 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RWD domain of human RWD domain containing protein 3 ; _BMRB_accession_number 11337 _BMRB_flat_file_name bmr11337.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Yoneyama M. . . 2 Koshiba S. . . 3 Watabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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" 733 "13C chemical shifts" 555 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RWD domain of human RWD domain containing protein 3' _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 Yoneyama M. . . 2 Koshiba S. . . 3 Watabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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 'RWD domain-containing protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RWD domain' $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 'RWD domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGMAEPVQEELSVLA AIFCRPHEWEVLSRSETDGT VFRIHTKAEGFMDADIPLEL VFHLPVNYPSCLPGISINSE QLTRAQCVTVKEKLLEQAES LLSEPMVHELVLWIQQNLRH ILSQPETG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 GLU 11 PRO 12 VAL 13 GLN 14 GLU 15 GLU 16 LEU 17 SER 18 VAL 19 LEU 20 ALA 21 ALA 22 ILE 23 PHE 24 CYS 25 ARG 26 PRO 27 HIS 28 GLU 29 TRP 30 GLU 31 VAL 32 LEU 33 SER 34 ARG 35 SER 36 GLU 37 THR 38 ASP 39 GLY 40 THR 41 VAL 42 PHE 43 ARG 44 ILE 45 HIS 46 THR 47 LYS 48 ALA 49 GLU 50 GLY 51 PHE 52 MET 53 ASP 54 ALA 55 ASP 56 ILE 57 PRO 58 LEU 59 GLU 60 LEU 61 VAL 62 PHE 63 HIS 64 LEU 65 PRO 66 VAL 67 ASN 68 TYR 69 PRO 70 SER 71 CYS 72 LEU 73 PRO 74 GLY 75 ILE 76 SER 77 ILE 78 ASN 79 SER 80 GLU 81 GLN 82 LEU 83 THR 84 ARG 85 ALA 86 GLN 87 CYS 88 VAL 89 THR 90 VAL 91 LYS 92 GLU 93 LYS 94 LEU 95 LEU 96 GLU 97 GLN 98 ALA 99 GLU 100 SER 101 LEU 102 LEU 103 SER 104 GLU 105 PRO 106 MET 107 VAL 108 HIS 109 GLU 110 LEU 111 VAL 112 LEU 113 TRP 114 ILE 115 GLN 116 GLN 117 ASN 118 LEU 119 ARG 120 HIS 121 ILE 122 LEU 123 SER 124 GLN 125 PRO 126 GLU 127 THR 128 GLY 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 2EBK "Solution Structure Of The Rwd Domain Of Human Rwd Domain Containing Protein 3" 100.00 128 100.00 100.00 5.25e-87 PDB 4Y1L "Ubc9 Homodimer The Missing Link In Poly-sumo Chain Formation" 87.50 113 98.21 99.11 1.17e-73 DBJ BAF85354 "unnamed protein product [Homo sapiens]" 94.53 195 100.00 100.00 1.50e-81 DBJ BAF85388 "unnamed protein product [Homo sapiens]" 94.53 195 100.00 100.00 1.50e-81 DBJ BAG59117 "unnamed protein product [Homo sapiens]" 72.66 180 100.00 100.00 1.79e-59 DBJ BAI46391 "RWD domain containing protein 3 [synthetic construct]" 94.53 195 100.00 100.00 1.50e-81 EMBL CAB43254 "hypothetical protein [Homo sapiens]" 94.53 195 100.00 100.00 1.50e-81 EMBL CAG38524 "RWDD3 [Homo sapiens]" 94.53 195 99.17 100.00 5.09e-81 EMBL CAL37651 "hypothetical protein [synthetic construct]" 94.53 195 100.00 100.00 1.50e-81 EMBL CAL38135 "hypothetical protein, partial [synthetic construct]" 94.53 195 100.00 100.00 1.50e-81 GB AAI25143 "RWDD3 protein [Homo sapiens]" 72.66 185 100.00 100.00 2.23e-59 GB AIC56138 "RWDD3, partial [synthetic construct]" 94.53 195 99.17 99.17 7.70e-81 GB AIC63357 "RWDD3, partial [synthetic construct]" 72.66 185 100.00 100.00 2.23e-59 GB EAW73019 "RWD domain containing 3, isoform CRA_a [Homo sapiens]" 94.53 195 99.17 99.17 9.06e-81 GB EAW73020 "RWD domain containing 3, isoform CRA_b [Homo sapiens]" 72.66 180 98.92 98.92 1.09e-58 PIR T08730 "hypothetical protein DKFZp566K023.1 - human (fragment)" 97.66 201 97.60 98.40 1.44e-82 REF NP_001121614 "RWD domain-containing protein 3 isoform b [Homo sapiens]" 94.53 195 99.17 99.17 9.06e-81 REF NP_001186611 "RWD domain-containing protein 3 isoform c [Homo sapiens]" 94.53 200 99.17 99.17 1.38e-80 REF NP_001265176 "RWD domain-containing protein 3 isoform d [Homo sapiens]" 72.66 185 98.92 98.92 1.44e-58 REF NP_001265177 "RWD domain-containing protein 3 isoform e [Homo sapiens]" 72.66 252 98.92 98.92 8.28e-59 REF NP_056300 "RWD domain-containing protein 3 isoform a [Homo sapiens]" 94.53 267 99.17 99.17 3.99e-81 SP Q9Y3V2 "RecName: Full=RWD domain-containing protein 3; AltName: Full=RWD domain-containing sumoylation enhancer; Short=RSUME" 94.53 267 98.35 98.35 2.42e-80 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 P060313-08 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.63mM RWD domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.63 mM '[U-13C; U-15N]' 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 20030801 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 296 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 'RWD domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER C C 175.048 0.300 1 2 7 7 GLY H H 8.480 0.030 1 3 7 7 GLY HA2 H 3.970 0.030 1 4 7 7 GLY HA3 H 3.970 0.030 1 5 7 7 GLY C C 174.028 0.300 1 6 7 7 GLY CA C 45.372 0.300 1 7 7 7 GLY N N 110.776 0.300 1 8 8 8 MET H H 8.133 0.030 1 9 8 8 MET HA H 4.514 0.030 1 10 8 8 MET HB2 H 2.072 0.030 2 11 8 8 MET HB3 H 2.004 0.030 2 12 8 8 MET HE H 2.107 0.030 1 13 8 8 MET HG2 H 2.561 0.030 1 14 8 8 MET HG3 H 2.561 0.030 1 15 8 8 MET C C 175.885 0.300 1 16 8 8 MET CA C 55.111 0.300 1 17 8 8 MET CB C 33.386 0.300 1 18 8 8 MET CE C 17.246 0.300 1 19 8 8 MET CG C 31.944 0.300 1 20 8 8 MET N N 119.586 0.300 1 21 9 9 ALA H H 8.553 0.030 1 22 9 9 ALA HA H 4.356 0.030 1 23 9 9 ALA HB H 1.472 0.030 1 24 9 9 ALA C C 177.997 0.300 1 25 9 9 ALA CA C 52.572 0.300 1 26 9 9 ALA CB C 19.525 0.300 1 27 9 9 ALA N N 125.998 0.300 1 28 10 10 GLU H H 8.757 0.030 1 29 10 10 GLU HA H 4.485 0.030 1 30 10 10 GLU HB2 H 2.179 0.030 2 31 10 10 GLU HB3 H 2.052 0.030 2 32 10 10 GLU HG2 H 2.398 0.030 2 33 10 10 GLU HG3 H 2.334 0.030 2 34 10 10 GLU CA C 57.245 0.300 1 35 10 10 GLU CB C 28.852 0.300 1 36 10 10 GLU CG C 36.562 0.300 1 37 10 10 GLU N N 122.437 0.300 1 38 11 11 PRO HA H 4.435 0.030 1 39 11 11 PRO HB2 H 2.408 0.030 2 40 11 11 PRO HB3 H 1.908 0.030 2 41 11 11 PRO HD2 H 3.837 0.030 1 42 11 11 PRO HD3 H 3.837 0.030 1 43 11 11 PRO HG2 H 2.127 0.030 2 44 11 11 PRO HG3 H 2.066 0.030 2 45 11 11 PRO C C 176.965 0.300 1 46 11 11 PRO CA C 65.318 0.300 1 47 11 11 PRO CB C 31.945 0.300 1 48 11 11 PRO CD C 50.680 0.300 1 49 11 11 PRO CG C 27.944 0.300 1 50 12 12 VAL H H 8.152 0.030 1 51 12 12 VAL HA H 4.062 0.030 1 52 12 12 VAL HB H 2.357 0.030 1 53 12 12 VAL HG1 H 1.137 0.030 1 54 12 12 VAL HG2 H 1.250 0.030 1 55 12 12 VAL C C 177.001 0.300 1 56 12 12 VAL CA C 65.735 0.300 1 57 12 12 VAL CB C 31.733 0.300 1 58 12 12 VAL CG1 C 21.260 0.300 2 59 12 12 VAL CG2 C 23.415 0.300 2 60 12 12 VAL N N 119.744 0.300 1 61 13 13 GLN H H 8.036 0.030 1 62 13 13 GLN HA H 4.066 0.030 1 63 13 13 GLN HB2 H 2.189 0.030 1 64 13 13 GLN HB3 H 2.189 0.030 1 65 13 13 GLN HE21 H 7.574 0.030 2 66 13 13 GLN HE22 H 6.924 0.030 2 67 13 13 GLN HG2 H 2.425 0.030 1 68 13 13 GLN HG3 H 2.425 0.030 1 69 13 13 GLN C C 178.944 0.300 1 70 13 13 GLN CA C 58.762 0.300 1 71 13 13 GLN CB C 28.458 0.300 1 72 13 13 GLN CG C 33.990 0.300 1 73 13 13 GLN N N 120.291 0.300 1 74 13 13 GLN NE2 N 112.748 0.300 1 75 14 14 GLU H H 8.232 0.030 1 76 14 14 GLU HA H 4.107 0.030 1 77 14 14 GLU HB2 H 2.075 0.030 1 78 14 14 GLU HB3 H 2.075 0.030 1 79 14 14 GLU HG2 H 2.304 0.030 2 80 14 14 GLU HG3 H 2.251 0.030 2 81 14 14 GLU C C 178.143 0.300 1 82 14 14 GLU CA C 59.002 0.300 1 83 14 14 GLU CB C 29.366 0.300 1 84 14 14 GLU CG C 36.071 0.300 1 85 14 14 GLU N N 119.520 0.300 1 86 15 15 GLU H H 8.005 0.030 1 87 15 15 GLU HA H 4.009 0.030 1 88 15 15 GLU HB2 H 2.395 0.030 2 89 15 15 GLU HB3 H 2.096 0.030 2 90 15 15 GLU HG2 H 2.253 0.030 2 91 15 15 GLU HG3 H 2.190 0.030 2 92 15 15 GLU C C 178.215 0.300 1 93 15 15 GLU CA C 60.070 0.300 1 94 15 15 GLU CB C 29.254 0.300 1 95 15 15 GLU CG C 36.344 0.300 1 96 15 15 GLU N N 122.225 0.300 1 97 16 16 LEU H H 8.415 0.030 1 98 16 16 LEU HA H 3.800 0.030 1 99 16 16 LEU HB2 H 1.944 0.030 2 100 16 16 LEU HB3 H 1.517 0.030 2 101 16 16 LEU HD1 H 0.945 0.030 1 102 16 16 LEU HD2 H 0.754 0.030 1 103 16 16 LEU HG H 1.958 0.030 1 104 16 16 LEU C C 179.405 0.300 1 105 16 16 LEU CA C 58.510 0.300 1 106 16 16 LEU CB C 41.246 0.300 1 107 16 16 LEU CD1 C 26.021 0.300 2 108 16 16 LEU CD2 C 23.692 0.300 2 109 16 16 LEU CG C 27.319 0.300 1 110 16 16 LEU N N 117.086 0.300 1 111 17 17 SER H H 7.793 0.030 1 112 17 17 SER HA H 4.032 0.030 1 113 17 17 SER HB2 H 3.968 0.030 2 114 17 17 SER HB3 H 3.919 0.030 2 115 17 17 SER C C 176.977 0.300 1 116 17 17 SER CA C 61.575 0.300 1 117 17 17 SER CB C 62.753 0.300 1 118 17 17 SER N N 114.963 0.300 1 119 18 18 VAL H H 7.885 0.030 1 120 18 18 VAL HA H 3.529 0.030 1 121 18 18 VAL HB H 2.136 0.030 1 122 18 18 VAL HG1 H 0.779 0.030 1 123 18 18 VAL HG2 H 0.963 0.030 1 124 18 18 VAL C C 178.628 0.300 1 125 18 18 VAL CA C 66.185 0.300 1 126 18 18 VAL CB C 31.723 0.300 1 127 18 18 VAL CG1 C 21.010 0.300 2 128 18 18 VAL CG2 C 22.811 0.300 2 129 18 18 VAL N N 124.549 0.300 1 130 19 19 LEU H H 8.251 0.030 1 131 19 19 LEU HA H 3.600 0.030 1 132 19 19 LEU HB2 H 1.295 0.030 2 133 19 19 LEU HB3 H 0.834 0.030 2 134 19 19 LEU HD1 H 0.747 0.030 1 135 19 19 LEU HD2 H 0.858 0.030 1 136 19 19 LEU HG H 1.893 0.030 1 137 19 19 LEU C C 177.960 0.300 1 138 19 19 LEU CA C 57.488 0.300 1 139 19 19 LEU CB C 42.275 0.300 1 140 19 19 LEU CD1 C 26.548 0.300 2 141 19 19 LEU CD2 C 22.303 0.300 2 142 19 19 LEU CG C 26.512 0.300 1 143 19 19 LEU N N 119.563 0.300 1 144 20 20 ALA H H 7.013 0.030 1 145 20 20 ALA HA H 2.552 0.030 1 146 20 20 ALA HB H 0.779 0.030 1 147 20 20 ALA C C 178.470 0.300 1 148 20 20 ALA CA C 54.002 0.300 1 149 20 20 ALA CB C 17.521 0.300 1 150 20 20 ALA N N 118.875 0.300 1 151 21 21 ALA H H 6.775 0.030 1 152 21 21 ALA HA H 3.981 0.030 1 153 21 21 ALA HB H 1.326 0.030 1 154 21 21 ALA C C 179.696 0.300 1 155 21 21 ALA CA C 53.367 0.300 1 156 21 21 ALA CB C 18.295 0.300 1 157 21 21 ALA N N 116.594 0.300 1 158 22 22 ILE H H 7.461 0.030 1 159 22 22 ILE HA H 3.511 0.030 1 160 22 22 ILE HB H 1.182 0.030 1 161 22 22 ILE HD1 H 0.160 0.030 1 162 22 22 ILE HG12 H 1.373 0.030 2 163 22 22 ILE HG13 H 0.663 0.030 2 164 22 22 ILE HG2 H -0.134 0.030 1 165 22 22 ILE C C 177.997 0.300 1 166 22 22 ILE CA C 63.939 0.300 1 167 22 22 ILE CB C 39.085 0.300 1 168 22 22 ILE CD1 C 12.868 0.300 1 169 22 22 ILE CG1 C 27.776 0.300 1 170 22 22 ILE CG2 C 15.960 0.300 1 171 22 22 ILE N N 119.278 0.300 1 172 23 23 PHE H H 8.214 0.030 1 173 23 23 PHE HA H 4.739 0.030 1 174 23 23 PHE HB2 H 3.359 0.030 2 175 23 23 PHE HB3 H 2.881 0.030 2 176 23 23 PHE HD1 H 7.375 0.030 1 177 23 23 PHE HD2 H 7.375 0.030 1 178 23 23 PHE HE1 H 7.247 0.030 1 179 23 23 PHE HE2 H 7.247 0.030 1 180 23 23 PHE HZ H 7.239 0.030 1 181 23 23 PHE C C 175.375 0.300 1 182 23 23 PHE CA C 57.885 0.300 1 183 23 23 PHE CB C 36.844 0.300 1 184 23 23 PHE CD1 C 132.260 0.300 1 185 23 23 PHE CD2 C 132.260 0.300 1 186 23 23 PHE CE1 C 130.491 0.300 1 187 23 23 PHE CE2 C 130.491 0.300 1 188 23 23 PHE CZ C 128.654 0.300 1 189 23 23 PHE N N 123.052 0.300 1 190 24 24 CYS H H 7.017 0.030 1 191 24 24 CYS HA H 4.767 0.030 1 192 24 24 CYS HB2 H 3.273 0.030 2 193 24 24 CYS HB3 H 2.802 0.030 2 194 24 24 CYS C C 176.383 0.300 1 195 24 24 CYS CA C 57.081 0.300 1 196 24 24 CYS CB C 28.851 0.300 1 197 24 24 CYS N N 110.161 0.300 1 198 25 25 ARG H H 8.737 0.030 1 199 25 25 ARG HA H 4.623 0.030 1 200 25 25 ARG HB2 H 1.984 0.030 2 201 25 25 ARG HB3 H 1.665 0.030 2 202 25 25 ARG HD2 H 3.325 0.030 2 203 25 25 ARG HD3 H 3.246 0.030 2 204 25 25 ARG HG2 H 1.857 0.030 2 205 25 25 ARG HG3 H 1.787 0.030 2 206 25 25 ARG C C 174.756 0.300 1 207 25 25 ARG CA C 55.656 0.300 1 208 25 25 ARG CB C 27.469 0.300 1 209 25 25 ARG CD C 43.200 0.300 1 210 25 25 ARG CG C 28.113 0.300 1 211 25 25 ARG N N 126.591 0.300 1 212 26 26 PRO HA H 4.217 0.030 1 213 26 26 PRO HB2 H 2.095 0.030 2 214 26 26 PRO HB3 H 1.772 0.030 2 215 26 26 PRO HD2 H 3.902 0.030 2 216 26 26 PRO HD3 H 3.645 0.030 2 217 26 26 PRO HG2 H 2.175 0.030 2 218 26 26 PRO HG3 H 2.029 0.030 2 219 26 26 PRO C C 177.208 0.300 1 220 26 26 PRO CA C 65.209 0.300 1 221 26 26 PRO CB C 31.489 0.300 1 222 26 26 PRO CD C 50.308 0.300 1 223 26 26 PRO CG C 27.963 0.300 1 224 27 27 HIS H H 8.766 0.030 1 225 27 27 HIS HA H 4.359 0.030 1 226 27 27 HIS HB2 H 3.441 0.030 2 227 27 27 HIS HB3 H 3.276 0.030 2 228 27 27 HIS HD2 H 6.931 0.030 1 229 27 27 HIS C C 175.557 0.300 1 230 27 27 HIS CA C 57.749 0.300 1 231 27 27 HIS CB C 28.045 0.300 1 232 27 27 HIS CD2 C 120.440 0.300 1 233 27 27 HIS N N 115.497 0.300 1 234 28 28 GLU H H 8.030 0.030 1 235 28 28 GLU HA H 4.496 0.030 1 236 28 28 GLU HB2 H 2.426 0.030 2 237 28 28 GLU HB3 H 2.318 0.030 2 238 28 28 GLU HG2 H 2.573 0.030 2 239 28 28 GLU HG3 H 2.383 0.030 2 240 28 28 GLU C C 175.048 0.300 1 241 28 28 GLU CA C 59.781 0.300 1 242 28 28 GLU CB C 31.880 0.300 1 243 28 28 GLU CG C 38.388 0.300 1 244 28 28 GLU N N 119.290 0.300 1 245 29 29 TRP H H 7.778 0.030 1 246 29 29 TRP HA H 5.478 0.030 1 247 29 29 TRP HB2 H 3.713 0.030 2 248 29 29 TRP HB3 H 3.238 0.030 2 249 29 29 TRP HD1 H 7.087 0.030 1 250 29 29 TRP HE1 H 9.561 0.030 1 251 29 29 TRP HE3 H 7.360 0.030 1 252 29 29 TRP HH2 H 5.763 0.030 1 253 29 29 TRP HZ2 H 6.798 0.030 1 254 29 29 TRP HZ3 H 6.361 0.030 1 255 29 29 TRP C C 175.703 0.300 1 256 29 29 TRP CA C 56.118 0.300 1 257 29 29 TRP CB C 33.501 0.300 1 258 29 29 TRP CD1 C 125.814 0.300 1 259 29 29 TRP CE3 C 119.128 0.300 1 260 29 29 TRP CH2 C 123.968 0.300 1 261 29 29 TRP CZ2 C 113.185 0.300 1 262 29 29 TRP CZ3 C 122.472 0.300 1 263 29 29 TRP N N 116.977 0.300 1 264 29 29 TRP NE1 N 127.765 0.300 1 265 30 30 GLU H H 7.684 0.030 1 266 30 30 GLU HA H 4.064 0.030 1 267 30 30 GLU HB2 H 1.881 0.030 2 268 30 30 GLU HB3 H 1.712 0.030 2 269 30 30 GLU HG2 H 2.152 0.030 2 270 30 30 GLU HG3 H 1.878 0.030 2 271 30 30 GLU C C 174.076 0.300 1 272 30 30 GLU CA C 55.904 0.300 1 273 30 30 GLU CB C 33.689 0.300 1 274 30 30 GLU CG C 35.794 0.300 1 275 30 30 GLU N N 125.490 0.300 1 276 31 31 VAL H H 8.775 0.030 1 277 31 31 VAL HA H 3.812 0.030 1 278 31 31 VAL HB H 1.946 0.030 1 279 31 31 VAL HG1 H 0.875 0.030 1 280 31 31 VAL HG2 H 0.860 0.030 1 281 31 31 VAL C C 175.910 0.300 1 282 31 31 VAL CA C 63.273 0.300 1 283 31 31 VAL CB C 31.465 0.300 1 284 31 31 VAL CG1 C 21.612 0.300 2 285 31 31 VAL CG2 C 21.390 0.300 2 286 31 31 VAL N N 126.844 0.300 1 287 32 32 LEU H H 9.147 0.030 1 288 32 32 LEU HA H 4.286 0.030 1 289 32 32 LEU HB2 H 1.434 0.030 2 290 32 32 LEU HB3 H 1.345 0.030 2 291 32 32 LEU HD1 H 0.669 0.030 1 292 32 32 LEU HD2 H 0.624 0.030 1 293 32 32 LEU HG H 1.411 0.030 1 294 32 32 LEU C C 177.451 0.300 1 295 32 32 LEU CA C 56.202 0.300 1 296 32 32 LEU CB C 41.979 0.300 1 297 32 32 LEU CD1 C 25.023 0.300 2 298 32 32 LEU CD2 C 22.432 0.300 2 299 32 32 LEU CG C 27.667 0.300 1 300 32 32 LEU N N 130.003 0.300 1 301 33 33 SER H H 7.897 0.030 1 302 33 33 SER HA H 4.496 0.030 1 303 33 33 SER HB2 H 3.717 0.030 1 304 33 33 SER HB3 H 3.717 0.030 1 305 33 33 SER C C 172.378 0.300 1 306 33 33 SER CA C 58.242 0.300 1 307 33 33 SER CB C 64.131 0.300 1 308 33 33 SER N N 110.964 0.300 1 309 34 34 ARG H H 8.434 0.030 1 310 34 34 ARG HA H 4.789 0.030 1 311 34 34 ARG HB2 H 1.772 0.030 2 312 34 34 ARG HB3 H 1.639 0.030 2 313 34 34 ARG HD2 H 3.148 0.030 1 314 34 34 ARG HD3 H 3.148 0.030 1 315 34 34 ARG HG2 H 1.621 0.030 2 316 34 34 ARG HG3 H 1.543 0.030 2 317 34 34 ARG C C 174.684 0.300 1 318 34 34 ARG CA C 56.093 0.300 1 319 34 34 ARG CB C 32.906 0.300 1 320 34 34 ARG CD C 43.788 0.300 1 321 34 34 ARG CG C 27.195 0.300 1 322 34 34 ARG N N 121.424 0.300 1 323 35 35 SER H H 8.166 0.030 1 324 35 35 SER HA H 4.831 0.030 1 325 35 35 SER HB2 H 4.138 0.030 2 326 35 35 SER HB3 H 3.783 0.030 2 327 35 35 SER C C 175.873 0.300 1 328 35 35 SER CA C 56.256 0.300 1 329 35 35 SER CB C 64.280 0.300 1 330 35 35 SER N N 117.534 0.300 1 331 36 36 GLU HA H 4.192 0.030 1 332 36 36 GLU HB2 H 2.155 0.030 2 333 36 36 GLU HB3 H 2.093 0.030 2 334 36 36 GLU HG2 H 2.398 0.030 2 335 36 36 GLU HG3 H 2.337 0.030 2 336 36 36 GLU C C 176.334 0.300 1 337 36 36 GLU CA C 58.615 0.300 1 338 36 36 GLU CB C 29.828 0.300 1 339 36 36 GLU CG C 36.539 0.300 1 340 37 37 THR H H 7.868 0.030 1 341 37 37 THR HA H 4.438 0.030 1 342 37 37 THR HB H 4.129 0.030 1 343 37 37 THR HG2 H 1.190 0.030 1 344 37 37 THR C C 176.213 0.300 1 345 37 37 THR CA C 62.639 0.300 1 346 37 37 THR CB C 69.380 0.300 1 347 37 37 THR CG2 C 22.015 0.300 1 348 37 37 THR N N 107.107 0.300 1 349 38 38 ASP H H 8.178 0.030 1 350 38 38 ASP HA H 4.940 0.030 1 351 38 38 ASP HB2 H 2.777 0.030 2 352 38 38 ASP HB3 H 2.380 0.030 2 353 38 38 ASP C C 176.107 0.300 1 354 38 38 ASP CA C 54.761 0.300 1 355 38 38 ASP CB C 42.277 0.300 1 356 38 38 ASP N N 119.828 0.300 1 357 39 39 GLY H H 7.722 0.030 1 358 39 39 GLY HA2 H 4.925 0.030 2 359 39 39 GLY HA3 H 3.922 0.030 2 360 39 39 GLY C C 175.023 0.300 1 361 39 39 GLY CA C 44.683 0.300 1 362 39 39 GLY N N 108.643 0.300 1 363 40 40 THR H H 8.239 0.030 1 364 40 40 THR HA H 5.122 0.030 1 365 40 40 THR HB H 3.901 0.030 1 366 40 40 THR HG2 H 1.440 0.030 1 367 40 40 THR C C 172.523 0.300 1 368 40 40 THR CA C 62.612 0.300 1 369 40 40 THR CB C 71.945 0.300 1 370 40 40 THR CG2 C 21.780 0.300 1 371 40 40 THR N N 119.273 0.300 1 372 41 41 VAL H H 8.885 0.030 1 373 41 41 VAL HA H 5.382 0.030 1 374 41 41 VAL HB H 1.847 0.030 1 375 41 41 VAL HG1 H 0.629 0.030 1 376 41 41 VAL HG2 H 0.560 0.030 1 377 41 41 VAL C C 175.655 0.300 1 378 41 41 VAL CA C 60.336 0.300 1 379 41 41 VAL CB C 33.492 0.300 1 380 41 41 VAL CG1 C 21.475 0.300 2 381 41 41 VAL CG2 C 21.133 0.300 2 382 41 41 VAL N N 127.516 0.300 1 383 42 42 PHE H H 8.733 0.030 1 384 42 42 PHE HA H 5.098 0.030 1 385 42 42 PHE HB2 H 2.535 0.030 2 386 42 42 PHE HB3 H 2.317 0.030 2 387 42 42 PHE HD1 H 6.708 0.030 1 388 42 42 PHE HD2 H 6.708 0.030 1 389 42 42 PHE HE1 H 7.018 0.030 1 390 42 42 PHE HE2 H 7.018 0.030 1 391 42 42 PHE HZ H 6.800 0.030 1 392 42 42 PHE C C 170.557 0.300 1 393 42 42 PHE CA C 55.343 0.300 1 394 42 42 PHE CB C 42.341 0.300 1 395 42 42 PHE CD1 C 132.951 0.300 1 396 42 42 PHE CD2 C 132.951 0.300 1 397 42 42 PHE CE1 C 130.185 0.300 1 398 42 42 PHE CE2 C 130.185 0.300 1 399 42 42 PHE CZ C 128.908 0.300 1 400 42 42 PHE N N 123.328 0.300 1 401 43 43 ARG H H 9.032 0.030 1 402 43 43 ARG HA H 5.514 0.030 1 403 43 43 ARG HB2 H 1.604 0.030 2 404 43 43 ARG HB3 H 1.418 0.030 2 405 43 43 ARG HD2 H 3.056 0.030 2 406 43 43 ARG HD3 H 2.912 0.030 2 407 43 43 ARG HG2 H 1.331 0.030 2 408 43 43 ARG HG3 H 1.192 0.030 2 409 43 43 ARG C C 174.259 0.300 1 410 43 43 ARG CA C 53.552 0.300 1 411 43 43 ARG CB C 35.121 0.300 1 412 43 43 ARG CD C 43.701 0.300 1 413 43 43 ARG CG C 26.539 0.300 1 414 43 43 ARG N N 119.695 0.300 1 415 44 44 ILE H H 9.195 0.030 1 416 44 44 ILE HA H 5.169 0.030 1 417 44 44 ILE HB H 1.539 0.030 1 418 44 44 ILE HD1 H 0.348 0.030 1 419 44 44 ILE HG12 H 1.159 0.030 2 420 44 44 ILE HG13 H 1.919 0.030 2 421 44 44 ILE HG2 H 0.849 0.030 1 422 44 44 ILE C C 175.533 0.300 1 423 44 44 ILE CA C 59.324 0.300 1 424 44 44 ILE CB C 43.287 0.300 1 425 44 44 ILE CD1 C 16.475 0.300 1 426 44 44 ILE CG1 C 28.632 0.300 1 427 44 44 ILE CG2 C 15.718 0.300 1 428 44 44 ILE N N 124.867 0.300 1 429 45 45 HIS H H 8.676 0.030 1 430 45 45 HIS HA H 5.429 0.030 1 431 45 45 HIS HB2 H 3.288 0.030 2 432 45 45 HIS HB3 H 3.201 0.030 2 433 45 45 HIS HD2 H 7.094 0.030 1 434 45 45 HIS C C 174.501 0.300 1 435 45 45 HIS CA C 55.176 0.300 1 436 45 45 HIS CB C 31.382 0.300 1 437 45 45 HIS CD2 C 120.115 0.300 1 438 45 45 HIS N N 126.325 0.300 1 439 46 46 THR H H 8.760 0.030 1 440 46 46 THR HA H 4.965 0.030 1 441 46 46 THR HB H 4.057 0.030 1 442 46 46 THR HG2 H 1.028 0.030 1 443 46 46 THR C C 172.292 0.300 1 444 46 46 THR CA C 58.730 0.300 1 445 46 46 THR CB C 69.333 0.300 1 446 46 46 THR CG2 C 17.629 0.300 1 447 46 46 THR N N 117.826 0.300 1 448 47 47 LYS H H 8.880 0.030 1 449 47 47 LYS HA H 5.324 0.030 1 450 47 47 LYS HB2 H 1.690 0.030 2 451 47 47 LYS HB3 H 1.583 0.030 2 452 47 47 LYS HD2 H 1.594 0.030 2 453 47 47 LYS HD3 H 1.538 0.030 2 454 47 47 LYS HE2 H 2.925 0.030 1 455 47 47 LYS HE3 H 2.925 0.030 1 456 47 47 LYS HG2 H 1.341 0.030 2 457 47 47 LYS HG3 H 1.280 0.030 2 458 47 47 LYS C C 174.538 0.300 1 459 47 47 LYS CA C 54.637 0.300 1 460 47 47 LYS CB C 35.936 0.300 1 461 47 47 LYS CD C 29.552 0.300 1 462 47 47 LYS CE C 42.255 0.300 1 463 47 47 LYS CG C 24.249 0.300 1 464 47 47 LYS N N 121.280 0.300 1 465 48 48 ALA H H 8.839 0.030 1 466 48 48 ALA HA H 4.789 0.030 1 467 48 48 ALA HB H 1.426 0.030 1 468 48 48 ALA C C 175.642 0.300 1 469 48 48 ALA CA C 49.880 0.300 1 470 48 48 ALA CB C 24.227 0.300 1 471 48 48 ALA N N 122.874 0.300 1 472 49 49 GLU H H 8.446 0.030 1 473 49 49 GLU HA H 4.279 0.030 1 474 49 49 GLU HB2 H 1.928 0.030 1 475 49 49 GLU HB3 H 1.928 0.030 1 476 49 49 GLU HG2 H 2.260 0.030 1 477 49 49 GLU HG3 H 2.260 0.030 1 478 49 49 GLU C C 176.893 0.300 1 479 49 49 GLU CA C 57.200 0.300 1 480 49 49 GLU CB C 30.158 0.300 1 481 49 49 GLU CG C 36.329 0.300 1 482 49 49 GLU N N 121.505 0.300 1 483 50 50 GLY H H 8.583 0.030 1 484 50 50 GLY HA2 H 4.059 0.030 2 485 50 50 GLY HA3 H 3.615 0.030 2 486 50 50 GLY C C 173.530 0.300 1 487 50 50 GLY CA C 44.143 0.300 1 488 50 50 GLY N N 111.214 0.300 1 489 51 51 PHE H H 8.140 0.030 1 490 51 51 PHE HA H 4.561 0.030 1 491 51 51 PHE HB2 H 3.109 0.030 2 492 51 51 PHE HB3 H 2.977 0.030 2 493 51 51 PHE HD1 H 7.236 0.030 1 494 51 51 PHE HD2 H 7.236 0.030 1 495 51 51 PHE HE1 H 7.314 0.030 1 496 51 51 PHE HE2 H 7.314 0.030 1 497 51 51 PHE HZ H 7.234 0.030 1 498 51 51 PHE C C 176.164 0.300 1 499 51 51 PHE CA C 57.927 0.300 1 500 51 51 PHE CB C 39.621 0.300 1 501 51 51 PHE CD1 C 131.745 0.300 1 502 51 51 PHE CD2 C 131.745 0.300 1 503 51 51 PHE CE1 C 131.703 0.300 1 504 51 51 PHE CE2 C 131.703 0.300 1 505 51 51 PHE CZ C 129.940 0.300 1 506 51 51 PHE N N 119.252 0.300 1 507 52 52 MET H H 8.750 0.030 1 508 52 52 MET HA H 4.217 0.030 1 509 52 52 MET HB2 H 2.134 0.030 2 510 52 52 MET HB3 H 1.921 0.030 2 511 52 52 MET HE H 2.047 0.030 1 512 52 52 MET HG2 H 2.318 0.030 2 513 52 52 MET HG3 H 2.245 0.030 2 514 52 52 MET C C 175.230 0.300 1 515 52 52 MET CA C 55.883 0.300 1 516 52 52 MET CB C 31.011 0.300 1 517 52 52 MET CE C 16.776 0.300 1 518 52 52 MET CG C 32.090 0.300 1 519 52 52 MET N N 120.607 0.300 1 520 53 53 ASP H H 8.241 0.030 1 521 53 53 ASP HA H 4.352 0.030 1 522 53 53 ASP HB2 H 2.790 0.030 2 523 53 53 ASP HB3 H 2.726 0.030 2 524 53 53 ASP C C 174.889 0.300 1 525 53 53 ASP CA C 55.185 0.300 1 526 53 53 ASP CB C 40.321 0.300 1 527 53 53 ASP N N 115.932 0.300 1 528 54 54 ALA H H 7.647 0.030 1 529 54 54 ALA HA H 4.451 0.030 1 530 54 54 ALA HB H 1.352 0.030 1 531 54 54 ALA C C 176.516 0.300 1 532 54 54 ALA CA C 51.669 0.300 1 533 54 54 ALA CB C 20.350 0.300 1 534 54 54 ALA N N 122.189 0.300 1 535 55 55 ASP H H 8.326 0.030 1 536 55 55 ASP HA H 4.702 0.030 1 537 55 55 ASP HB2 H 2.439 0.030 2 538 55 55 ASP HB3 H 2.390 0.030 2 539 55 55 ASP C C 176.018 0.300 1 540 55 55 ASP CA C 54.156 0.300 1 541 55 55 ASP CB C 42.038 0.300 1 542 55 55 ASP N N 121.173 0.300 1 543 56 56 ILE H H 8.823 0.030 1 544 56 56 ILE HA H 4.505 0.030 1 545 56 56 ILE HB H 1.706 0.030 1 546 56 56 ILE HD1 H 0.688 0.030 1 547 56 56 ILE HG12 H 1.369 0.030 2 548 56 56 ILE HG13 H 1.108 0.030 2 549 56 56 ILE HG2 H 0.709 0.030 1 550 56 56 ILE C C 173.882 0.300 1 551 56 56 ILE CA C 57.771 0.300 1 552 56 56 ILE CB C 39.848 0.300 1 553 56 56 ILE CD1 C 12.843 0.300 1 554 56 56 ILE CG1 C 27.093 0.300 1 555 56 56 ILE CG2 C 16.989 0.300 1 556 56 56 ILE N N 122.546 0.300 1 557 57 57 PRO HA H 4.769 0.030 1 558 57 57 PRO HB2 H 2.306 0.030 2 559 57 57 PRO HB3 H 2.115 0.030 2 560 57 57 PRO HD2 H 3.940 0.030 2 561 57 57 PRO HD3 H 3.562 0.030 2 562 57 57 PRO HG2 H 2.199 0.030 2 563 57 57 PRO HG3 H 2.031 0.030 2 564 57 57 PRO C C 175.606 0.300 1 565 57 57 PRO CA C 62.436 0.300 1 566 57 57 PRO CB C 32.198 0.300 1 567 57 57 PRO CD C 51.367 0.300 1 568 57 57 PRO CG C 27.543 0.300 1 569 58 58 LEU H H 8.754 0.030 1 570 58 58 LEU HA H 4.768 0.030 1 571 58 58 LEU HB2 H 1.440 0.030 2 572 58 58 LEU HB3 H 1.225 0.030 2 573 58 58 LEU HD1 H 0.744 0.030 1 574 58 58 LEU HD2 H 0.753 0.030 1 575 58 58 LEU HG H 1.624 0.030 1 576 58 58 LEU C C 173.922 0.300 1 577 58 58 LEU CA C 54.349 0.300 1 578 58 58 LEU CB C 46.819 0.300 1 579 58 58 LEU CD1 C 26.775 0.300 2 580 58 58 LEU CD2 C 24.744 0.300 2 581 58 58 LEU CG C 26.223 0.300 1 582 58 58 LEU N N 122.442 0.300 1 583 59 59 GLU H H 8.695 0.030 1 584 59 59 GLU HA H 4.987 0.030 1 585 59 59 GLU HB2 H 1.970 0.030 2 586 59 59 GLU HB3 H 1.845 0.030 2 587 59 59 GLU HG2 H 1.727 0.030 1 588 59 59 GLU HG3 H 1.727 0.030 1 589 59 59 GLU C C 174.708 0.300 1 590 59 59 GLU CA C 54.506 0.300 1 591 59 59 GLU CB C 31.732 0.300 1 592 59 59 GLU CG C 36.853 0.300 1 593 59 59 GLU N N 123.658 0.300 1 594 60 60 LEU H H 9.094 0.030 1 595 60 60 LEU HA H 4.954 0.030 1 596 60 60 LEU HB2 H 1.825 0.030 2 597 60 60 LEU HB3 H 1.156 0.030 2 598 60 60 LEU HD1 H 0.904 0.030 1 599 60 60 LEU HD2 H 0.776 0.030 1 600 60 60 LEU HG H 1.515 0.030 1 601 60 60 LEU C C 174.684 0.300 1 602 60 60 LEU CA C 53.552 0.300 1 603 60 60 LEU CB C 44.481 0.300 1 604 60 60 LEU CD1 C 27.561 0.300 2 605 60 60 LEU CD2 C 26.163 0.300 2 606 60 60 LEU CG C 27.598 0.300 1 607 60 60 LEU N N 126.052 0.300 1 608 61 61 VAL H H 8.588 0.030 1 609 61 61 VAL HA H 4.626 0.030 1 610 61 61 VAL HB H 1.725 0.030 1 611 61 61 VAL HG1 H 0.517 0.030 1 612 61 61 VAL HG2 H 0.647 0.030 1 613 61 61 VAL C C 175.897 0.300 1 614 61 61 VAL CA C 61.113 0.300 1 615 61 61 VAL CB C 32.577 0.300 1 616 61 61 VAL CG1 C 21.242 0.300 2 617 61 61 VAL CG2 C 20.875 0.300 2 618 61 61 VAL N N 123.139 0.300 1 619 62 62 PHE H H 8.656 0.030 1 620 62 62 PHE HA H 4.965 0.030 1 621 62 62 PHE HB2 H 1.990 0.030 2 622 62 62 PHE HB3 H 1.430 0.030 2 623 62 62 PHE HD1 H 6.815 0.030 1 624 62 62 PHE HD2 H 6.815 0.030 1 625 62 62 PHE HE1 H 7.020 0.030 1 626 62 62 PHE HE2 H 7.020 0.030 1 627 62 62 PHE HZ H 6.956 0.030 1 628 62 62 PHE C C 173.324 0.300 1 629 62 62 PHE CA C 56.029 0.300 1 630 62 62 PHE CB C 42.875 0.300 1 631 62 62 PHE CD1 C 132.229 0.300 1 632 62 62 PHE CD2 C 132.229 0.300 1 633 62 62 PHE CE1 C 130.713 0.300 1 634 62 62 PHE CE2 C 130.713 0.300 1 635 62 62 PHE CZ C 127.681 0.300 1 636 62 62 PHE N N 126.424 0.300 1 637 63 63 HIS H H 8.912 0.030 1 638 63 63 HIS HA H 5.270 0.030 1 639 63 63 HIS HB2 H 2.857 0.030 2 640 63 63 HIS HB3 H 2.796 0.030 2 641 63 63 HIS HD2 H 6.515 0.030 1 642 63 63 HIS HE1 H 7.729 0.030 1 643 63 63 HIS C C 174.380 0.300 1 644 63 63 HIS CA C 52.481 0.300 1 645 63 63 HIS CB C 33.771 0.300 1 646 63 63 HIS CD2 C 116.582 0.300 1 647 63 63 HIS CE1 C 137.933 0.300 1 648 63 63 HIS N N 119.975 0.300 1 649 64 64 LEU H H 9.636 0.030 1 650 64 64 LEU HA H 4.563 0.030 1 651 64 64 LEU HB2 H 1.952 0.030 2 652 64 64 LEU HB3 H 0.911 0.030 2 653 64 64 LEU HD1 H 0.741 0.030 1 654 64 64 LEU HD2 H 0.048 0.030 1 655 64 64 LEU HG H 1.356 0.030 1 656 64 64 LEU C C 173.737 0.300 1 657 64 64 LEU CA C 50.404 0.300 1 658 64 64 LEU CB C 39.991 0.300 1 659 64 64 LEU CD1 C 25.446 0.300 2 660 64 64 LEU CD2 C 21.269 0.300 2 661 64 64 LEU CG C 26.294 0.300 1 662 64 64 LEU N N 127.229 0.300 1 663 65 65 PRO HA H 4.445 0.030 1 664 65 65 PRO HB2 H 2.271 0.030 2 665 65 65 PRO HB3 H 1.990 0.030 2 666 65 65 PRO HD2 H 3.977 0.030 2 667 65 65 PRO HD3 H 3.344 0.030 2 668 65 65 PRO HG2 H 1.767 0.030 2 669 65 65 PRO HG3 H 1.656 0.030 2 670 65 65 PRO CA C 61.857 0.300 1 671 65 65 PRO CB C 32.709 0.300 1 672 65 65 PRO CD C 51.605 0.300 1 673 65 65 PRO CG C 27.332 0.300 1 674 66 66 VAL H H 8.720 0.030 1 675 66 66 VAL HA H 3.931 0.030 1 676 66 66 VAL HB H 2.141 0.030 1 677 66 66 VAL HG1 H 0.966 0.030 1 678 66 66 VAL HG2 H 0.967 0.030 1 679 66 66 VAL CA C 65.930 0.300 1 680 66 66 VAL CB C 31.400 0.300 1 681 66 66 VAL CG1 C 20.873 0.300 2 682 66 66 VAL CG2 C 21.124 0.300 2 683 66 66 VAL N N 117.371 0.300 1 684 67 67 ASN H H 8.250 0.030 1 685 67 67 ASN HA H 4.844 0.030 1 686 67 67 ASN HB2 H 2.842 0.030 1 687 67 67 ASN HB3 H 2.842 0.030 1 688 67 67 ASN HD21 H 7.552 0.030 2 689 67 67 ASN HD22 H 6.803 0.030 2 690 67 67 ASN CA C 52.926 0.300 1 691 67 67 ASN CB C 37.355 0.300 1 692 67 67 ASN N N 113.149 0.300 1 693 67 67 ASN ND2 N 112.023 0.300 1 694 68 68 TYR H H 7.953 0.030 1 695 68 68 TYR HA H 4.708 0.030 1 696 68 68 TYR HB2 H 3.240 0.030 2 697 68 68 TYR HB3 H 2.829 0.030 2 698 68 68 TYR HD1 H 7.272 0.030 3 699 68 68 TYR HD2 H 7.031 0.030 3 700 68 68 TYR HE1 H 6.950 0.030 3 701 68 68 TYR HE2 H 7.311 0.030 3 702 68 68 TYR CA C 57.210 0.300 1 703 68 68 TYR CB C 38.562 0.300 1 704 68 68 TYR CD1 C 133.160 0.300 3 705 68 68 TYR CD2 C 134.938 0.300 3 706 68 68 TYR CE1 C 118.109 0.300 3 707 68 68 TYR CE2 C 120.172 0.300 3 708 68 68 TYR N N 126.198 0.300 1 709 69 69 PRO HA H 4.150 0.030 1 710 69 69 PRO HB2 H 1.945 0.030 2 711 69 69 PRO HB3 H 0.382 0.030 2 712 69 69 PRO HD2 H 3.298 0.030 2 713 69 69 PRO HD3 H 3.157 0.030 2 714 69 69 PRO HG2 H 1.007 0.030 2 715 69 69 PRO HG3 H 1.242 0.030 2 716 69 69 PRO C C 175.169 0.300 1 717 69 69 PRO CA C 64.176 0.300 1 718 69 69 PRO CB C 31.588 0.300 1 719 69 69 PRO CD C 49.157 0.300 1 720 69 69 PRO CG C 23.703 0.300 1 721 70 70 SER H H 8.876 0.030 1 722 70 70 SER HA H 4.347 0.030 1 723 70 70 SER HB2 H 3.996 0.030 1 724 70 70 SER HB3 H 3.996 0.030 1 725 70 70 SER C C 172.621 0.300 1 726 70 70 SER CA C 60.739 0.300 1 727 70 70 SER CB C 62.712 0.300 1 728 70 70 SER N N 121.071 0.300 1 729 71 71 CYS H H 7.311 0.030 1 730 71 71 CYS HA H 4.698 0.030 1 731 71 71 CYS HB2 H 3.128 0.030 2 732 71 71 CYS HB3 H 2.591 0.030 2 733 71 71 CYS C C 171.127 0.300 1 734 71 71 CYS CA C 54.337 0.300 1 735 71 71 CYS CB C 31.324 0.300 1 736 71 71 CYS N N 114.986 0.300 1 737 72 72 LEU H H 8.137 0.030 1 738 72 72 LEU HA H 4.277 0.030 1 739 72 72 LEU HB2 H 1.669 0.030 2 740 72 72 LEU HB3 H 1.477 0.030 2 741 72 72 LEU HD1 H 1.008 0.030 1 742 72 72 LEU HD2 H 0.851 0.030 1 743 72 72 LEU HG H 1.839 0.030 1 744 72 72 LEU C C 175.339 0.300 1 745 72 72 LEU CA C 53.175 0.300 1 746 72 72 LEU CB C 41.484 0.300 1 747 72 72 LEU CD1 C 26.118 0.300 2 748 72 72 LEU CD2 C 24.218 0.300 2 749 72 72 LEU CG C 27.055 0.300 1 750 72 72 LEU N N 117.548 0.300 1 751 73 73 PRO HA H 4.837 0.030 1 752 73 73 PRO HB2 H 2.092 0.030 2 753 73 73 PRO HB3 H 2.025 0.030 2 754 73 73 PRO HD2 H 4.169 0.030 2 755 73 73 PRO HD3 H 3.609 0.030 2 756 73 73 PRO HG2 H 1.946 0.030 2 757 73 73 PRO HG3 H 2.107 0.030 2 758 73 73 PRO C C 176.723 0.300 1 759 73 73 PRO CA C 62.070 0.300 1 760 73 73 PRO CB C 32.203 0.300 1 761 73 73 PRO CD C 50.262 0.300 1 762 73 73 PRO CG C 25.746 0.300 1 763 74 74 GLY H H 9.432 0.030 1 764 74 74 GLY HA2 H 4.449 0.030 2 765 74 74 GLY HA3 H 3.701 0.030 2 766 74 74 GLY C C 173.846 0.300 1 767 74 74 GLY CA C 45.424 0.300 1 768 74 74 GLY N N 107.279 0.300 1 769 75 75 ILE H H 8.028 0.030 1 770 75 75 ILE HA H 4.614 0.030 1 771 75 75 ILE HB H 1.264 0.030 1 772 75 75 ILE HD1 H 0.594 0.030 1 773 75 75 ILE HG12 H 1.338 0.030 2 774 75 75 ILE HG13 H 0.605 0.030 2 775 75 75 ILE HG2 H 0.343 0.030 1 776 75 75 ILE C C 174.489 0.300 1 777 75 75 ILE CA C 60.502 0.300 1 778 75 75 ILE CB C 42.545 0.300 1 779 75 75 ILE CD1 C 14.671 0.300 1 780 75 75 ILE CG1 C 26.797 0.300 1 781 75 75 ILE CG2 C 16.843 0.300 1 782 75 75 ILE N N 122.181 0.300 1 783 76 76 SER H H 8.481 0.030 1 784 76 76 SER HA H 4.651 0.030 1 785 76 76 SER HB2 H 3.674 0.030 2 786 76 76 SER HB3 H 3.525 0.030 2 787 76 76 SER C C 172.038 0.300 1 788 76 76 SER CA C 57.040 0.300 1 789 76 76 SER CB C 64.960 0.300 1 790 76 76 SER N N 120.750 0.300 1 791 77 77 ILE H H 8.445 0.030 1 792 77 77 ILE HA H 4.935 0.030 1 793 77 77 ILE HB H 1.740 0.030 1 794 77 77 ILE HD1 H 0.663 0.030 1 795 77 77 ILE HG12 H 1.290 0.030 2 796 77 77 ILE HG13 H 1.114 0.030 2 797 77 77 ILE HG2 H 0.749 0.030 1 798 77 77 ILE C C 173.749 0.300 1 799 77 77 ILE CA C 58.495 0.300 1 800 77 77 ILE CB C 39.779 0.300 1 801 77 77 ILE CD1 C 12.883 0.300 1 802 77 77 ILE CG1 C 27.055 0.300 1 803 77 77 ILE CG2 C 17.154 0.300 1 804 77 77 ILE N N 124.204 0.300 1 805 78 78 ASN H H 8.764 0.030 1 806 78 78 ASN HA H 5.221 0.030 1 807 78 78 ASN HB2 H 2.630 0.030 1 808 78 78 ASN HB3 H 2.630 0.030 1 809 78 78 ASN HD21 H 7.689 0.030 2 810 78 78 ASN HD22 H 6.823 0.030 2 811 78 78 ASN C C 173.775 0.300 1 812 78 78 ASN CA C 52.032 0.300 1 813 78 78 ASN CB C 42.526 0.300 1 814 78 78 ASN N N 122.472 0.300 1 815 78 78 ASN ND2 N 114.206 0.300 1 816 79 79 SER H H 8.064 0.030 1 817 79 79 SER HA H 4.469 0.030 1 818 79 79 SER HB2 H 4.290 0.030 2 819 79 79 SER HB3 H 3.123 0.030 2 820 79 79 SER C C 175.109 0.300 1 821 79 79 SER CA C 58.386 0.300 1 822 79 79 SER CB C 65.218 0.300 1 823 79 79 SER N N 113.957 0.300 1 824 80 80 GLU H H 9.321 0.030 1 825 80 80 GLU HA H 4.325 0.030 1 826 80 80 GLU HB2 H 2.146 0.030 2 827 80 80 GLU HB3 H 2.016 0.030 2 828 80 80 GLU HG2 H 2.371 0.030 2 829 80 80 GLU HG3 H 2.327 0.030 2 830 80 80 GLU C C 176.893 0.300 1 831 80 80 GLU CA C 58.188 0.300 1 832 80 80 GLU CB C 29.742 0.300 1 833 80 80 GLU CG C 36.514 0.300 1 834 80 80 GLU N N 127.466 0.300 1 835 81 81 GLN H H 8.050 0.030 1 836 81 81 GLN HA H 4.454 0.030 1 837 81 81 GLN HB2 H 2.472 0.030 2 838 81 81 GLN HB3 H 1.651 0.030 2 839 81 81 GLN HE21 H 7.607 0.030 2 840 81 81 GLN HE22 H 6.811 0.030 2 841 81 81 GLN HG2 H 2.376 0.030 1 842 81 81 GLN HG3 H 2.376 0.030 1 843 81 81 GLN C C 174.356 0.300 1 844 81 81 GLN CA C 55.537 0.300 1 845 81 81 GLN CB C 30.407 0.300 1 846 81 81 GLN CG C 34.525 0.300 1 847 81 81 GLN N N 115.590 0.300 1 848 81 81 GLN NE2 N 111.279 0.300 1 849 82 82 LEU H H 6.989 0.030 1 850 82 82 LEU HA H 4.990 0.030 1 851 82 82 LEU HB2 H 1.695 0.030 2 852 82 82 LEU HB3 H 1.532 0.030 2 853 82 82 LEU HD1 H 0.727 0.030 1 854 82 82 LEU HD2 H 0.855 0.030 1 855 82 82 LEU HG H 1.587 0.030 1 856 82 82 LEU C C 177.196 0.300 1 857 82 82 LEU CA C 53.111 0.300 1 858 82 82 LEU CB C 46.006 0.300 1 859 82 82 LEU CD1 C 25.512 0.300 2 860 82 82 LEU CD2 C 24.104 0.300 2 861 82 82 LEU CG C 26.970 0.300 1 862 82 82 LEU N N 116.745 0.300 1 863 83 83 THR H H 8.989 0.030 1 864 83 83 THR HA H 4.489 0.030 1 865 83 83 THR HB H 4.777 0.030 1 866 83 83 THR HG2 H 1.302 0.030 1 867 83 83 THR C C 176.213 0.300 1 868 83 83 THR CA C 60.566 0.300 1 869 83 83 THR CB C 70.928 0.300 1 870 83 83 THR CG2 C 21.763 0.300 1 871 83 83 THR N N 112.275 0.300 1 872 84 84 ARG H H 9.021 0.030 1 873 84 84 ARG HA H 4.086 0.030 1 874 84 84 ARG HB2 H 2.007 0.030 2 875 84 84 ARG HB3 H 1.916 0.030 2 876 84 84 ARG HD2 H 3.285 0.030 1 877 84 84 ARG HD3 H 3.285 0.030 1 878 84 84 ARG HG2 H 1.787 0.030 1 879 84 84 ARG HG3 H 1.787 0.030 1 880 84 84 ARG C C 178.956 0.300 1 881 84 84 ARG CA C 59.751 0.300 1 882 84 84 ARG CB C 29.149 0.300 1 883 84 84 ARG CD C 42.870 0.300 1 884 84 84 ARG CG C 26.443 0.300 1 885 84 84 ARG N N 122.416 0.300 1 886 85 85 ALA H H 8.437 0.030 1 887 85 85 ALA HA H 4.101 0.030 1 888 85 85 ALA HB H 1.416 0.030 1 889 85 85 ALA C C 181.189 0.300 1 890 85 85 ALA CA C 55.225 0.300 1 891 85 85 ALA CB C 18.282 0.300 1 892 85 85 ALA N N 119.977 0.300 1 893 86 86 GLN H H 7.878 0.030 1 894 86 86 GLN HA H 4.101 0.030 1 895 86 86 GLN HB2 H 2.610 0.030 2 896 86 86 GLN HB3 H 1.736 0.030 2 897 86 86 GLN HE21 H 7.885 0.030 2 898 86 86 GLN HE22 H 6.811 0.030 2 899 86 86 GLN HG2 H 2.611 0.030 2 900 86 86 GLN HG3 H 2.438 0.030 2 901 86 86 GLN C C 178.555 0.300 1 902 86 86 GLN CA C 58.972 0.300 1 903 86 86 GLN CB C 29.116 0.300 1 904 86 86 GLN CG C 35.153 0.300 1 905 86 86 GLN N N 118.063 0.300 1 906 86 86 GLN NE2 N 111.273 0.300 1 907 87 87 CYS H H 8.256 0.030 1 908 87 87 CYS HA H 3.832 0.030 1 909 87 87 CYS HB2 H 3.377 0.030 2 910 87 87 CYS HB3 H 2.778 0.030 2 911 87 87 CYS C C 177.463 0.300 1 912 87 87 CYS CA C 65.232 0.300 1 913 87 87 CYS CB C 27.098 0.300 1 914 87 87 CYS N N 117.532 0.300 1 915 88 88 VAL H H 8.035 0.030 1 916 88 88 VAL HA H 3.612 0.030 1 917 88 88 VAL HB H 2.271 0.030 1 918 88 88 VAL HG1 H 1.085 0.030 1 919 88 88 VAL HG2 H 0.955 0.030 1 920 88 88 VAL C C 177.657 0.300 1 921 88 88 VAL CA C 67.284 0.300 1 922 88 88 VAL CB C 31.382 0.300 1 923 88 88 VAL CG1 C 22.861 0.300 2 924 88 88 VAL CG2 C 21.515 0.300 2 925 88 88 VAL N N 121.660 0.300 1 926 89 89 THR H H 7.999 0.030 1 927 89 89 THR HA H 3.981 0.030 1 928 89 89 THR HB H 4.253 0.030 1 929 89 89 THR HG2 H 1.227 0.030 1 930 89 89 THR C C 176.383 0.300 1 931 89 89 THR CA C 67.120 0.300 1 932 89 89 THR CB C 68.663 0.300 1 933 89 89 THR CG2 C 22.062 0.300 1 934 89 89 THR N N 118.506 0.300 1 935 90 90 VAL H H 8.399 0.030 1 936 90 90 VAL HA H 3.452 0.030 1 937 90 90 VAL HB H 2.143 0.030 1 938 90 90 VAL HG1 H 0.913 0.030 1 939 90 90 VAL HG2 H 1.013 0.030 1 940 90 90 VAL C C 176.710 0.300 1 941 90 90 VAL CA C 67.615 0.300 1 942 90 90 VAL CB C 31.294 0.300 1 943 90 90 VAL CG1 C 22.491 0.300 2 944 90 90 VAL CG2 C 23.707 0.300 2 945 90 90 VAL N N 119.526 0.300 1 946 91 91 LYS H H 7.969 0.030 1 947 91 91 LYS HA H 3.637 0.030 1 948 91 91 LYS HB2 H 2.171 0.030 2 949 91 91 LYS HB3 H 1.858 0.030 2 950 91 91 LYS HD2 H 1.817 0.030 2 951 91 91 LYS HD3 H 1.736 0.030 2 952 91 91 LYS HE2 H 3.120 0.030 2 953 91 91 LYS HE3 H 3.056 0.030 2 954 91 91 LYS HG2 H 1.406 0.030 2 955 91 91 LYS HG3 H 1.244 0.030 2 956 91 91 LYS C C 177.536 0.300 1 957 91 91 LYS CA C 60.829 0.300 1 958 91 91 LYS CB C 31.959 0.300 1 959 91 91 LYS CD C 30.162 0.300 1 960 91 91 LYS CE C 42.547 0.300 1 961 91 91 LYS CG C 24.743 0.300 1 962 91 91 LYS N N 120.399 0.300 1 963 92 92 GLU H H 8.443 0.030 1 964 92 92 GLU HA H 3.930 0.030 1 965 92 92 GLU HB2 H 2.320 0.030 2 966 92 92 GLU HB3 H 2.083 0.030 2 967 92 92 GLU HG2 H 2.572 0.030 2 968 92 92 GLU HG3 H 2.236 0.030 2 969 92 92 GLU C C 180.545 0.300 1 970 92 92 GLU CA C 59.821 0.300 1 971 92 92 GLU CB C 29.445 0.300 1 972 92 92 GLU CG C 36.730 0.300 1 973 92 92 GLU N N 117.576 0.300 1 974 93 93 LYS H H 8.376 0.030 1 975 93 93 LYS HA H 4.202 0.030 1 976 93 93 LYS HB2 H 2.237 0.030 2 977 93 93 LYS HB3 H 2.096 0.030 2 978 93 93 LYS HD2 H 1.820 0.030 2 979 93 93 LYS HD3 H 1.740 0.030 2 980 93 93 LYS HE2 H 3.080 0.030 2 981 93 93 LYS HE3 H 2.955 0.030 2 982 93 93 LYS HG2 H 1.906 0.030 2 983 93 93 LYS HG3 H 1.595 0.030 2 984 93 93 LYS C C 179.854 0.300 1 985 93 93 LYS CA C 57.639 0.300 1 986 93 93 LYS CB C 31.547 0.300 1 987 93 93 LYS CD C 27.710 0.300 1 988 93 93 LYS CE C 42.298 0.300 1 989 93 93 LYS CG C 24.931 0.300 1 990 93 93 LYS N N 118.385 0.300 1 991 94 94 LEU H H 8.709 0.030 1 992 94 94 LEU HA H 3.793 0.030 1 993 94 94 LEU HB2 H 1.987 0.030 2 994 94 94 LEU HB3 H 1.550 0.030 2 995 94 94 LEU HD1 H 0.974 0.030 1 996 94 94 LEU HD2 H 1.063 0.030 1 997 94 94 LEU HG H 1.787 0.030 1 998 94 94 LEU C C 178.968 0.300 1 999 94 94 LEU CA C 57.963 0.300 1 1000 94 94 LEU CB C 43.051 0.300 1 1001 94 94 LEU CD1 C 26.932 0.300 2 1002 94 94 LEU CD2 C 26.393 0.300 2 1003 94 94 LEU CG C 27.113 0.300 1 1004 94 94 LEU N N 122.382 0.300 1 1005 95 95 LEU H H 8.444 0.030 1 1006 95 95 LEU HA H 4.026 0.030 1 1007 95 95 LEU HB2 H 1.936 0.030 2 1008 95 95 LEU HB3 H 1.484 0.030 2 1009 95 95 LEU HD1 H 0.958 0.030 1 1010 95 95 LEU HD2 H 0.941 0.030 1 1011 95 95 LEU HG H 1.765 0.030 1 1012 95 95 LEU C C 179.477 0.300 1 1013 95 95 LEU CA C 57.730 0.300 1 1014 95 95 LEU CB C 41.474 0.300 1 1015 95 95 LEU CD1 C 26.200 0.300 2 1016 95 95 LEU CD2 C 23.176 0.300 2 1017 95 95 LEU CG C 27.504 0.300 1 1018 95 95 LEU N N 119.574 0.300 1 1019 96 96 GLU H H 7.609 0.030 1 1020 96 96 GLU HA H 4.058 0.030 1 1021 96 96 GLU HB2 H 2.137 0.030 2 1022 96 96 GLU HB3 H 2.092 0.030 2 1023 96 96 GLU HG2 H 2.426 0.030 2 1024 96 96 GLU HG3 H 2.113 0.030 2 1025 96 96 GLU C C 179.672 0.300 1 1026 96 96 GLU CA C 59.275 0.300 1 1027 96 96 GLU CB C 29.775 0.300 1 1028 96 96 GLU CG C 36.262 0.300 1 1029 96 96 GLU N N 119.784 0.300 1 1030 97 97 GLN H H 7.321 0.030 1 1031 97 97 GLN HA H 3.752 0.030 1 1032 97 97 GLN HB2 H 1.397 0.030 2 1033 97 97 GLN HB3 H 1.314 0.030 2 1034 97 97 GLN HE21 H 7.067 0.030 2 1035 97 97 GLN HE22 H 6.559 0.030 2 1036 97 97 GLN HG2 H 1.070 0.030 2 1037 97 97 GLN HG3 H 0.585 0.030 2 1038 97 97 GLN C C 178.725 0.300 1 1039 97 97 GLN CA C 57.379 0.300 1 1040 97 97 GLN CB C 26.522 0.300 1 1041 97 97 GLN CG C 30.675 0.300 1 1042 97 97 GLN N N 118.897 0.300 1 1043 97 97 GLN NE2 N 111.531 0.300 1 1044 98 98 ALA H H 8.461 0.030 1 1045 98 98 ALA HA H 3.974 0.030 1 1046 98 98 ALA HB H 1.600 0.030 1 1047 98 98 ALA C C 178.191 0.300 1 1048 98 98 ALA CA C 54.799 0.300 1 1049 98 98 ALA CB C 18.968 0.300 1 1050 98 98 ALA N N 122.340 0.300 1 1051 99 99 GLU H H 7.506 0.030 1 1052 99 99 GLU HA H 3.858 0.030 1 1053 99 99 GLU HB2 H 2.131 0.030 2 1054 99 99 GLU HB3 H 2.096 0.030 2 1055 99 99 GLU HG2 H 2.504 0.030 2 1056 99 99 GLU HG3 H 2.314 0.030 2 1057 99 99 GLU C C 178.737 0.300 1 1058 99 99 GLU CA C 59.605 0.300 1 1059 99 99 GLU CB C 29.628 0.300 1 1060 99 99 GLU CG C 36.440 0.300 1 1061 99 99 GLU N N 115.907 0.300 1 1062 100 100 SER H H 7.371 0.030 1 1063 100 100 SER HA H 4.369 0.030 1 1064 100 100 SER HB2 H 3.965 0.030 1 1065 100 100 SER HB3 H 3.965 0.030 1 1066 100 100 SER C C 174.331 0.300 1 1067 100 100 SER CA C 60.329 0.300 1 1068 100 100 SER CB C 63.698 0.300 1 1069 100 100 SER N N 112.401 0.300 1 1070 101 101 LEU H H 7.570 0.030 1 1071 101 101 LEU HA H 4.439 0.030 1 1072 101 101 LEU HB2 H 1.925 0.030 2 1073 101 101 LEU HB3 H 1.870 0.030 2 1074 101 101 LEU HD1 H 0.840 0.030 1 1075 101 101 LEU HD2 H 0.785 0.030 1 1076 101 101 LEU HG H 1.597 0.030 1 1077 101 101 LEU C C 175.375 0.300 1 1078 101 101 LEU CA C 54.120 0.300 1 1079 101 101 LEU CB C 43.011 0.300 1 1080 101 101 LEU CD1 C 26.290 0.300 2 1081 101 101 LEU CD2 C 22.382 0.300 2 1082 101 101 LEU CG C 26.271 0.300 1 1083 101 101 LEU N N 122.359 0.300 1 1084 102 102 LEU H H 6.724 0.030 1 1085 102 102 LEU HA H 3.833 0.030 1 1086 102 102 LEU HB2 H 1.697 0.030 2 1087 102 102 LEU HB3 H 1.481 0.030 2 1088 102 102 LEU HD1 H 0.918 0.030 1 1089 102 102 LEU HD2 H 0.694 0.030 1 1090 102 102 LEU HG H 1.828 0.030 1 1091 102 102 LEU C C 177.742 0.300 1 1092 102 102 LEU CA C 57.276 0.300 1 1093 102 102 LEU CB C 42.957 0.300 1 1094 102 102 LEU CD1 C 25.414 0.300 2 1095 102 102 LEU CD2 C 23.802 0.300 2 1096 102 102 LEU CG C 26.982 0.300 1 1097 102 102 LEU N N 117.734 0.300 1 1098 103 103 SER H H 8.188 0.030 1 1099 103 103 SER HA H 3.551 0.030 1 1100 103 103 SER HB2 H 4.215 0.030 2 1101 103 103 SER HB3 H 3.957 0.030 2 1102 103 103 SER CA C 62.139 0.300 1 1103 103 103 SER CB C 62.416 0.300 1 1104 103 103 SER N N 112.929 0.300 1 1105 104 104 GLU H H 8.095 0.030 1 1106 104 104 GLU HA H 4.764 0.030 1 1107 104 104 GLU HB2 H 2.000 0.030 2 1108 104 104 GLU HB3 H 1.867 0.030 2 1109 104 104 GLU HG2 H 2.154 0.030 1 1110 104 104 GLU HG3 H 2.154 0.030 1 1111 104 104 GLU CA C 53.503 0.300 1 1112 104 104 GLU CB C 31.341 0.300 1 1113 104 104 GLU CG C 35.564 0.300 1 1114 104 104 GLU N N 122.718 0.300 1 1115 105 105 PRO HA H 4.268 0.030 1 1116 105 105 PRO HB2 H 2.302 0.030 2 1117 105 105 PRO HB3 H 1.944 0.030 2 1118 105 105 PRO HD2 H 3.710 0.030 1 1119 105 105 PRO HD3 H 3.710 0.030 1 1120 105 105 PRO HG2 H 2.217 0.030 2 1121 105 105 PRO HG3 H 1.844 0.030 2 1122 105 105 PRO C C 178.567 0.300 1 1123 105 105 PRO CA C 64.043 0.300 1 1124 105 105 PRO CB C 31.044 0.300 1 1125 105 105 PRO CD C 49.998 0.300 1 1126 105 105 PRO CG C 28.263 0.300 1 1127 106 106 MET H H 8.372 0.030 1 1128 106 106 MET HA H 4.976 0.030 1 1129 106 106 MET HB2 H 2.219 0.030 1 1130 106 106 MET HB3 H 2.219 0.030 1 1131 106 106 MET HE H 2.176 0.030 1 1132 106 106 MET HG2 H 3.059 0.030 2 1133 106 106 MET HG3 H 2.427 0.030 2 1134 106 106 MET C C 176.419 0.300 1 1135 106 106 MET CA C 56.626 0.300 1 1136 106 106 MET CB C 37.600 0.300 1 1137 106 106 MET CE C 16.998 0.300 1 1138 106 106 MET CG C 31.086 0.300 1 1139 106 106 MET N N 122.028 0.300 1 1140 107 107 VAL H H 9.205 0.030 1 1141 107 107 VAL HA H 3.192 0.030 1 1142 107 107 VAL HB H 2.107 0.030 1 1143 107 107 VAL HG1 H 0.316 0.030 1 1144 107 107 VAL HG2 H 0.839 0.030 1 1145 107 107 VAL C C 177.511 0.300 1 1146 107 107 VAL CA C 69.022 0.300 1 1147 107 107 VAL CB C 30.352 0.300 1 1148 107 107 VAL CG1 C 21.391 0.300 2 1149 107 107 VAL CG2 C 22.465 0.300 2 1150 107 107 VAL N N 123.008 0.300 1 1151 108 108 HIS H H 9.617 0.030 1 1152 108 108 HIS HA H 4.234 0.030 1 1153 108 108 HIS HB2 H 3.107 0.030 1 1154 108 108 HIS HB3 H 3.107 0.030 1 1155 108 108 HIS HD2 H 6.862 0.030 1 1156 108 108 HIS HE1 H 7.724 0.030 1 1157 108 108 HIS C C 177.087 0.300 1 1158 108 108 HIS CA C 59.645 0.300 1 1159 108 108 HIS CB C 30.470 0.300 1 1160 108 108 HIS CD2 C 118.336 0.300 1 1161 108 108 HIS CE1 C 138.038 0.300 1 1162 108 108 HIS N N 118.543 0.300 1 1163 109 109 GLU H H 8.296 0.030 1 1164 109 109 GLU HA H 3.856 0.030 1 1165 109 109 GLU HB2 H 2.107 0.030 2 1166 109 109 GLU HB3 H 2.004 0.030 2 1167 109 109 GLU HG2 H 2.393 0.030 2 1168 109 109 GLU HG3 H 2.355 0.030 2 1169 109 109 GLU C C 180.011 0.300 1 1170 109 109 GLU CA C 59.897 0.300 1 1171 109 109 GLU CB C 28.934 0.300 1 1172 109 109 GLU CG C 36.329 0.300 1 1173 109 109 GLU N N 116.430 0.300 1 1174 110 110 LEU H H 8.343 0.030 1 1175 110 110 LEU HA H 4.213 0.030 1 1176 110 110 LEU HB2 H 2.382 0.030 2 1177 110 110 LEU HB3 H 1.457 0.030 2 1178 110 110 LEU HD1 H 0.949 0.030 1 1179 110 110 LEU HD2 H 0.708 0.030 1 1180 110 110 LEU HG H 2.122 0.030 1 1181 110 110 LEU C C 178.761 0.300 1 1182 110 110 LEU CA C 58.138 0.300 1 1183 110 110 LEU CB C 41.753 0.300 1 1184 110 110 LEU CD1 C 26.570 0.300 2 1185 110 110 LEU CD2 C 22.121 0.300 2 1186 110 110 LEU CG C 26.010 0.300 1 1187 110 110 LEU N N 119.892 0.300 1 1188 111 111 VAL H H 8.570 0.030 1 1189 111 111 VAL HA H 3.679 0.030 1 1190 111 111 VAL HB H 2.479 0.030 1 1191 111 111 VAL HG1 H 1.134 0.030 1 1192 111 111 VAL HG2 H 1.211 0.030 1 1193 111 111 VAL C C 178.058 0.300 1 1194 111 111 VAL CA C 67.270 0.300 1 1195 111 111 VAL CB C 31.505 0.300 1 1196 111 111 VAL CG1 C 21.907 0.300 2 1197 111 111 VAL CG2 C 23.618 0.300 2 1198 111 111 VAL N N 120.269 0.300 1 1199 112 112 LEU H H 8.643 0.030 1 1200 112 112 LEU HA H 4.181 0.030 1 1201 112 112 LEU HB2 H 1.775 0.030 2 1202 112 112 LEU HB3 H 1.391 0.030 2 1203 112 112 LEU HD1 H 0.521 0.030 1 1204 112 112 LEU HD2 H 0.851 0.030 1 1205 112 112 LEU HG H 1.468 0.030 1 1206 112 112 LEU C C 180.011 0.300 1 1207 112 112 LEU CA C 57.989 0.300 1 1208 112 112 LEU CB C 41.725 0.300 1 1209 112 112 LEU CD1 C 24.965 0.300 2 1210 112 112 LEU CD2 C 22.680 0.300 2 1211 112 112 LEU CG C 26.767 0.300 1 1212 112 112 LEU N N 119.908 0.300 1 1213 113 113 TRP H H 8.520 0.030 1 1214 113 113 TRP HA H 4.063 0.030 1 1215 113 113 TRP HB2 H 3.592 0.030 2 1216 113 113 TRP HB3 H 3.457 0.030 2 1217 113 113 TRP HD1 H 7.307 0.030 1 1218 113 113 TRP HE1 H 10.252 0.030 1 1219 113 113 TRP HE3 H 7.273 0.030 1 1220 113 113 TRP HH2 H 6.975 0.030 1 1221 113 113 TRP HZ2 H 7.381 0.030 1 1222 113 113 TRP HZ3 H 6.647 0.030 1 1223 113 113 TRP C C 180.982 0.300 1 1224 113 113 TRP CA C 63.273 0.300 1 1225 113 113 TRP CB C 28.581 0.300 1 1226 113 113 TRP CD1 C 127.835 0.300 1 1227 113 113 TRP CE3 C 119.419 0.300 1 1228 113 113 TRP CH2 C 124.116 0.300 1 1229 113 113 TRP CZ2 C 115.066 0.300 1 1230 113 113 TRP CZ3 C 120.030 0.300 1 1231 113 113 TRP N N 118.837 0.300 1 1232 113 113 TRP NE1 N 132.277 0.300 1 1233 114 114 ILE H H 8.914 0.030 1 1234 114 114 ILE HA H 4.068 0.030 1 1235 114 114 ILE HB H 2.238 0.030 1 1236 114 114 ILE HD1 H 1.018 0.030 1 1237 114 114 ILE HG12 H 1.514 0.030 2 1238 114 114 ILE HG13 H 1.314 0.030 2 1239 114 114 ILE HG2 H 1.277 0.030 1 1240 114 114 ILE C C 176.540 0.300 1 1241 114 114 ILE CA C 61.323 0.300 1 1242 114 114 ILE CB C 37.937 0.300 1 1243 114 114 ILE CD1 C 15.685 0.300 1 1244 114 114 ILE CG1 C 30.158 0.300 1 1245 114 114 ILE CG2 C 19.223 0.300 1 1246 114 114 ILE N N 120.178 0.300 1 1247 115 115 GLN H H 8.439 0.030 1 1248 115 115 GLN HA H 3.962 0.030 1 1249 115 115 GLN HB2 H 2.635 0.030 2 1250 115 115 GLN HB3 H 2.121 0.030 2 1251 115 115 GLN HE21 H 7.148 0.030 2 1252 115 115 GLN HE22 H 6.673 0.030 2 1253 115 115 GLN HG2 H 2.938 0.030 2 1254 115 115 GLN HG3 H 2.629 0.030 2 1255 115 115 GLN C C 179.344 0.300 1 1256 115 115 GLN CA C 59.794 0.300 1 1257 115 115 GLN CB C 28.127 0.300 1 1258 115 115 GLN CG C 34.069 0.300 1 1259 115 115 GLN N N 121.863 0.300 1 1260 115 115 GLN NE2 N 109.014 0.300 1 1261 116 116 GLN H H 7.548 0.030 1 1262 116 116 GLN HA H 4.254 0.030 1 1263 116 116 GLN HB2 H 2.001 0.030 2 1264 116 116 GLN HB3 H 1.898 0.030 2 1265 116 116 GLN HE21 H 7.491 0.030 2 1266 116 116 GLN HE22 H 6.893 0.030 2 1267 116 116 GLN HG2 H 2.511 0.030 2 1268 116 116 GLN HG3 H 2.380 0.030 2 1269 116 116 GLN C C 177.305 0.300 1 1270 116 116 GLN CA C 56.998 0.300 1 1271 116 116 GLN CB C 30.023 0.300 1 1272 116 116 GLN CG C 34.025 0.300 1 1273 116 116 GLN N N 114.572 0.300 1 1274 116 116 GLN NE2 N 112.159 0.300 1 1275 117 117 ASN H H 7.791 0.030 1 1276 117 117 ASN HA H 4.692 0.030 1 1277 117 117 ASN HB2 H 1.865 0.030 2 1278 117 117 ASN HB3 H 0.871 0.030 2 1279 117 117 ASN HD21 H 6.882 0.030 2 1280 117 117 ASN HD22 H 6.164 0.030 2 1281 117 117 ASN C C 175.776 0.300 1 1282 117 117 ASN CA C 54.687 0.300 1 1283 117 117 ASN CB C 39.703 0.300 1 1284 117 117 ASN N N 112.739 0.300 1 1285 117 117 ASN ND2 N 116.118 0.300 1 1286 118 118 LEU H H 8.234 0.030 1 1287 118 118 LEU HA H 3.787 0.030 1 1288 118 118 LEU HB2 H 1.912 0.030 2 1289 118 118 LEU HB3 H 1.663 0.030 2 1290 118 118 LEU HD1 H 0.771 0.030 1 1291 118 118 LEU HD2 H 0.841 0.030 1 1292 118 118 LEU HG H 1.485 0.030 1 1293 118 118 LEU C C 177.718 0.300 1 1294 118 118 LEU CA C 59.955 0.300 1 1295 118 118 LEU CB C 40.219 0.300 1 1296 118 118 LEU CD1 C 27.303 0.300 2 1297 118 118 LEU CD2 C 25.625 0.300 2 1298 118 118 LEU CG C 26.653 0.300 1 1299 118 118 LEU N N 125.267 0.300 1 1300 119 119 ARG H H 8.616 0.030 1 1301 119 119 ARG HA H 3.741 0.030 1 1302 119 119 ARG HB2 H 1.480 0.030 2 1303 119 119 ARG HB3 H 1.441 0.030 2 1304 119 119 ARG HD2 H 2.747 0.030 2 1305 119 119 ARG HD3 H 2.663 0.030 2 1306 119 119 ARG HG2 H 1.058 0.030 2 1307 119 119 ARG HG3 H 0.592 0.030 2 1308 119 119 ARG C C 176.820 0.300 1 1309 119 119 ARG CA C 58.514 0.300 1 1310 119 119 ARG CB C 28.169 0.300 1 1311 119 119 ARG CD C 43.381 0.300 1 1312 119 119 ARG CG C 25.356 0.300 1 1313 119 119 ARG N N 113.981 0.300 1 1314 120 120 HIS H H 7.132 0.030 1 1315 120 120 HIS HA H 4.608 0.030 1 1316 120 120 HIS HB2 H 3.184 0.030 2 1317 120 120 HIS HB3 H 3.125 0.030 2 1318 120 120 HIS HD2 H 7.137 0.030 1 1319 120 120 HIS HE1 H 7.927 0.030 1 1320 120 120 HIS C C 178.361 0.300 1 1321 120 120 HIS CA C 57.664 0.300 1 1322 120 120 HIS CB C 30.723 0.300 1 1323 120 120 HIS CD2 C 119.584 0.300 1 1324 120 120 HIS CE1 C 137.392 0.300 1 1325 120 120 HIS N N 118.652 0.300 1 1326 121 121 ILE H H 7.884 0.030 1 1327 121 121 ILE HA H 3.939 0.030 1 1328 121 121 ILE HB H 1.969 0.030 1 1329 121 121 ILE HD1 H 0.897 0.030 1 1330 121 121 ILE HG12 H 1.752 0.030 2 1331 121 121 ILE HG13 H 1.239 0.030 2 1332 121 121 ILE HG2 H 0.933 0.030 1 1333 121 121 ILE C C 177.972 0.300 1 1334 121 121 ILE CA C 64.103 0.300 1 1335 121 121 ILE CB C 38.885 0.300 1 1336 121 121 ILE CD1 C 14.991 0.300 1 1337 121 121 ILE CG1 C 27.880 0.300 1 1338 121 121 ILE CG2 C 17.720 0.300 1 1339 121 121 ILE N N 119.164 0.300 1 1340 122 122 LEU H H 7.727 0.030 1 1341 122 122 LEU HA H 4.356 0.030 1 1342 122 122 LEU HB2 H 1.695 0.030 2 1343 122 122 LEU HB3 H 1.582 0.030 2 1344 122 122 LEU HD1 H 0.761 0.030 1 1345 122 122 LEU HD2 H 0.833 0.030 1 1346 122 122 LEU HG H 1.780 0.030 1 1347 122 122 LEU C C 177.026 0.300 1 1348 122 122 LEU CA C 55.169 0.300 1 1349 122 122 LEU CB C 41.804 0.300 1 1350 122 122 LEU CD1 C 26.481 0.300 2 1351 122 122 LEU CD2 C 21.567 0.300 2 1352 122 122 LEU CG C 26.404 0.300 1 1353 122 122 LEU N N 116.467 0.300 1 1354 123 123 SER H H 7.514 0.030 1 1355 123 123 SER HA H 4.358 0.030 1 1356 123 123 SER HB2 H 3.938 0.030 1 1357 123 123 SER HB3 H 3.938 0.030 1 1358 123 123 SER C C 173.882 0.300 1 1359 123 123 SER CA C 58.630 0.300 1 1360 123 123 SER CB C 63.934 0.300 1 1361 123 123 SER N N 113.509 0.300 1 1362 124 124 GLN H H 7.809 0.030 1 1363 124 124 GLN HA H 4.541 0.030 1 1364 124 124 GLN HB2 H 2.108 0.030 2 1365 124 124 GLN HB3 H 1.966 0.030 2 1366 124 124 GLN HE21 H 7.480 0.030 2 1367 124 124 GLN HE22 H 6.837 0.030 2 1368 124 124 GLN HG2 H 2.409 0.030 1 1369 124 124 GLN HG3 H 2.409 0.030 1 1370 124 124 GLN C C 173.955 0.300 1 1371 124 124 GLN CA C 53.859 0.300 1 1372 124 124 GLN CB C 28.704 0.300 1 1373 124 124 GLN CG C 33.512 0.300 1 1374 124 124 GLN N N 122.516 0.300 1 1375 124 124 GLN NE2 N 112.565 0.300 1 1376 125 125 PRO HA H 4.439 0.030 1 1377 125 125 PRO HB2 H 2.309 0.030 2 1378 125 125 PRO HB3 H 1.921 0.030 2 1379 125 125 PRO HD2 H 3.775 0.030 2 1380 125 125 PRO HD3 H 3.636 0.030 2 1381 125 125 PRO HG2 H 2.009 0.030 1 1382 125 125 PRO HG3 H 2.009 0.030 1 1383 125 125 PRO C C 177.087 0.300 1 1384 125 125 PRO CA C 63.235 0.300 1 1385 125 125 PRO CB C 32.165 0.300 1 1386 125 125 PRO CD C 50.616 0.300 1 1387 125 125 PRO CG C 27.389 0.300 1 1388 126 126 GLU H H 8.674 0.030 1 1389 126 126 GLU HA H 4.326 0.030 1 1390 126 126 GLU HB2 H 2.083 0.030 2 1391 126 126 GLU HB3 H 1.971 0.030 2 1392 126 126 GLU HG2 H 2.296 0.030 1 1393 126 126 GLU HG3 H 2.296 0.030 1 1394 126 126 GLU C C 176.953 0.300 1 1395 126 126 GLU CA C 56.877 0.300 1 1396 126 126 GLU CB C 30.146 0.300 1 1397 126 126 GLU CG C 36.447 0.300 1 1398 126 126 GLU N N 121.391 0.300 1 1399 127 127 THR H H 8.163 0.030 1 1400 127 127 THR HA H 4.357 0.030 1 1401 127 127 THR HB H 4.293 0.030 1 1402 127 127 THR HG2 H 1.194 0.030 1 1403 127 127 THR C C 174.307 0.300 1 1404 127 127 THR CA C 61.717 0.300 1 1405 127 127 THR CB C 69.994 0.300 1 1406 127 127 THR CG2 C 21.474 0.300 1 1407 127 127 THR N N 114.202 0.300 1 1408 128 128 GLY H H 8.044 0.030 1 1409 128 128 GLY HA2 H 3.768 0.030 1 1410 128 128 GLY HA3 H 3.768 0.030 1 1411 128 128 GLY C C 179.053 0.300 1 1412 128 128 GLY CA C 46.209 0.300 1 1413 128 128 GLY N N 117.308 0.300 1 stop_ save_