data_10125 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the dsRBD from hypothetical protein BAB26260 ; _BMRB_accession_number 10125 _BMRB_flat_file_name bmr10125.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-04 _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 Nagata T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 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" 741 "13C chemical shifts" 547 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the dsRBD from hypothetical protein BAB26260' _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 Nagata T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'hypothetical protein RIKEN cDNA 2310016K04' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hypothetical protein RIKEN cDNA 2310016K04' $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 'double-stranded RNA binding domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGSGIIKMAIRFDRR AYPPQITPKMCLLEWCRREK LPQPVYETVQRTIDRMFCSV VTVAEQKYQSTLWDKSKKLA EQTAAIVCLRSQGLPEGRLG EESPSLNKRKREAPDQDPGG PRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 ILE 11 ILE 12 LYS 13 MET 14 ALA 15 ILE 16 ARG 17 PHE 18 ASP 19 ARG 20 ARG 21 ALA 22 TYR 23 PRO 24 PRO 25 GLN 26 ILE 27 THR 28 PRO 29 LYS 30 MET 31 CYS 32 LEU 33 LEU 34 GLU 35 TRP 36 CYS 37 ARG 38 ARG 39 GLU 40 LYS 41 LEU 42 PRO 43 GLN 44 PRO 45 VAL 46 TYR 47 GLU 48 THR 49 VAL 50 GLN 51 ARG 52 THR 53 ILE 54 ASP 55 ARG 56 MET 57 PHE 58 CYS 59 SER 60 VAL 61 VAL 62 THR 63 VAL 64 ALA 65 GLU 66 GLN 67 LYS 68 TYR 69 GLN 70 SER 71 THR 72 LEU 73 TRP 74 ASP 75 LYS 76 SER 77 LYS 78 LYS 79 LEU 80 ALA 81 GLU 82 GLN 83 THR 84 ALA 85 ALA 86 ILE 87 VAL 88 CYS 89 LEU 90 ARG 91 SER 92 GLN 93 GLY 94 LEU 95 PRO 96 GLU 97 GLY 98 ARG 99 LEU 100 GLY 101 GLU 102 GLU 103 SER 104 PRO 105 SER 106 LEU 107 ASN 108 LYS 109 ARG 110 LYS 111 ARG 112 GLU 113 ALA 114 PRO 115 ASP 116 GLN 117 ASP 118 PRO 119 GLY 120 GLY 121 PRO 122 ARG 123 SER 124 GLY 125 PRO 126 SER 127 SER 128 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 1WHN "Solution Structure Of The Dsrbd From Hypothetical Protein Bab26260" 100.00 128 100.00 100.00 1.17e-86 DBJ BAB26260 "unnamed protein product [Mus musculus]" 89.84 493 100.00 100.00 5.51e-75 GB AAH58431 "Dus2l protein, partial [Mus musculus]" 89.84 289 100.00 100.00 9.69e-77 GB AAI16935 "Dihydrouridine synthase 2-like (SMM1, S. cerevisiae) [Mus musculus]" 89.84 493 100.00 100.00 5.51e-75 GB AAI16937 "Dihydrouridine synthase 2-like (SMM1, S. cerevisiae) [Mus musculus]" 89.84 493 100.00 100.00 5.51e-75 GB EDL11340 "mCG20459, isoform CRA_a [Mus musculus]" 89.84 380 100.00 100.00 1.17e-75 GB EDL11341 "mCG20459, isoform CRA_b [Mus musculus]" 89.84 493 100.00 100.00 5.51e-75 REF NP_001288105 "tRNA-dihydrouridine(20) synthase [NAD(P)+]-like isoform 2 [Mus musculus]" 89.84 380 100.00 100.00 1.17e-75 REF NP_079794 "tRNA-dihydrouridine(20) synthase [NAD(P)+]-like isoform 1 [Mus musculus]" 89.84 493 100.00 100.00 5.51e-75 REF XP_006531341 "PREDICTED: tRNA-dihydrouridine(20) synthase [NAD(P)+]-like isoform X1 [Mus musculus]" 89.84 493 100.00 100.00 5.51e-75 REF XP_006986898 "PREDICTED: tRNA-dihydrouridine(20) synthase [NAD(P)+]-like [Peromyscus maniculatus bairdii]" 89.84 493 98.26 99.13 1.76e-73 SP Q9D7B1 "RecName: Full=tRNA-dihydrouridine(20) synthase [NAD(P)+]-like; AltName: Full=Dihydrouridine synthase 2; AltName: Full=tRNA-dihy" 89.84 493 100.00 100.00 5.51e-75 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 mouse 10090 Eukaryota Metazoa Mus musculus 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' . . . . plasmid P021209-40 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.28 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address Johnson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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' 100 0.1 mM pH 6.0 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'hypothetical protein RIKEN cDNA 2310016K04' _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 HA H 4.482 0.030 1 2 6 6 SER HB2 H 3.895 0.030 1 3 6 6 SER HB3 H 3.895 0.030 1 4 6 6 SER C C 175.114 0.300 1 5 6 6 SER CA C 58.598 0.300 1 6 6 6 SER CB C 63.873 0.300 1 7 7 7 GLY H H 8.422 0.030 1 8 7 7 GLY HA2 H 4.008 0.030 1 9 7 7 GLY HA3 H 4.008 0.030 1 10 7 7 GLY C C 174.315 0.300 1 11 7 7 GLY CA C 45.469 0.300 1 12 7 7 GLY N N 110.832 0.300 1 13 8 8 SER H H 8.277 0.030 1 14 8 8 SER HA H 4.442 0.030 1 15 8 8 SER HB2 H 3.882 0.030 1 16 8 8 SER HB3 H 3.882 0.030 1 17 8 8 SER C C 175.077 0.300 1 18 8 8 SER CA C 58.494 0.300 1 19 8 8 SER CB C 63.900 0.300 1 20 8 8 SER N N 115.817 0.300 1 21 9 9 GLY H H 8.448 0.030 1 22 9 9 GLY HA2 H 3.917 0.030 1 23 9 9 GLY HA3 H 3.917 0.030 1 24 9 9 GLY C C 173.286 0.300 1 25 9 9 GLY CA C 45.218 0.300 1 26 9 9 GLY N N 110.946 0.300 1 27 10 10 ILE H H 7.883 0.030 1 28 10 10 ILE HA H 3.797 0.030 1 29 10 10 ILE HB H 1.472 0.030 1 30 10 10 ILE HG12 H 1.468 0.030 2 31 10 10 ILE HG13 H 0.715 0.030 2 32 10 10 ILE HG2 H 0.678 0.030 1 33 10 10 ILE HD1 H 0.776 0.030 1 34 10 10 ILE C C 175.626 0.300 1 35 10 10 ILE CA C 61.452 0.300 1 36 10 10 ILE CB C 39.927 0.300 1 37 10 10 ILE CG1 C 28.069 0.300 1 38 10 10 ILE CG2 C 18.003 0.300 1 39 10 10 ILE CD1 C 13.676 0.300 1 40 10 10 ILE N N 121.141 0.300 1 41 11 11 ILE H H 8.178 0.030 1 42 11 11 ILE HA H 3.948 0.030 1 43 11 11 ILE HB H 1.614 0.030 1 44 11 11 ILE HG12 H 1.444 0.030 2 45 11 11 ILE HG13 H 0.989 0.030 2 46 11 11 ILE HG2 H 0.949 0.030 1 47 11 11 ILE HD1 H 0.658 0.030 1 48 11 11 ILE C C 174.392 0.300 1 49 11 11 ILE CA C 62.108 0.300 1 50 11 11 ILE CB C 37.904 0.300 1 51 11 11 ILE CG1 C 28.652 0.300 1 52 11 11 ILE CG2 C 16.921 0.300 1 53 11 11 ILE CD1 C 13.344 0.300 1 54 11 11 ILE N N 131.450 0.300 1 55 12 12 LYS H H 8.191 0.030 1 56 12 12 LYS HA H 6.241 0.030 1 57 12 12 LYS HB2 H 1.597 0.030 1 58 12 12 LYS HB3 H 1.597 0.030 1 59 12 12 LYS HG2 H 1.311 0.030 1 60 12 12 LYS HG3 H 1.311 0.030 1 61 12 12 LYS HD2 H 1.447 0.030 2 62 12 12 LYS HD3 H 1.488 0.030 2 63 12 12 LYS HE2 H 2.823 0.030 2 64 12 12 LYS HE3 H 2.742 0.030 2 65 12 12 LYS C C 177.452 0.300 1 66 12 12 LYS CA C 54.073 0.300 1 67 12 12 LYS CB C 36.438 0.300 1 68 12 12 LYS CG C 25.241 0.300 1 69 12 12 LYS CD C 29.733 0.300 1 70 12 12 LYS CE C 42.213 0.300 1 71 12 12 LYS N N 124.766 0.300 1 72 13 13 MET H H 7.530 0.030 1 73 13 13 MET HA H 4.588 0.030 1 74 13 13 MET HB2 H 1.762 0.030 2 75 13 13 MET HB3 H 2.148 0.030 2 76 13 13 MET HG2 H 2.581 0.030 2 77 13 13 MET HG3 H 2.381 0.030 2 78 13 13 MET HE H 2.041 0.030 1 79 13 13 MET C C 174.096 0.300 1 80 13 13 MET CA C 55.042 0.300 1 81 13 13 MET CB C 39.721 0.300 1 82 13 13 MET CG C 33.061 0.300 1 83 13 13 MET CE C 17.371 0.300 1 84 13 13 MET N N 116.610 0.300 1 85 14 14 ALA H H 8.789 0.030 1 86 14 14 ALA HA H 4.931 0.030 1 87 14 14 ALA HB H 1.229 0.030 1 88 14 14 ALA C C 175.504 0.300 1 89 14 14 ALA CA C 51.136 0.300 1 90 14 14 ALA CB C 17.386 0.300 1 91 14 14 ALA N N 126.805 0.300 1 92 15 15 ILE H H 7.322 0.030 1 93 15 15 ILE HA H 4.654 0.030 1 94 15 15 ILE HB H 1.617 0.030 1 95 15 15 ILE HG12 H 1.307 0.030 2 96 15 15 ILE HG13 H 1.041 0.030 2 97 15 15 ILE HG2 H 0.838 0.030 1 98 15 15 ILE HD1 H 0.857 0.030 1 99 15 15 ILE C C 173.466 0.300 1 100 15 15 ILE CA C 58.787 0.300 1 101 15 15 ILE CB C 42.795 0.300 1 102 15 15 ILE CG1 C 27.250 0.300 1 103 15 15 ILE CG2 C 18.419 0.300 1 104 15 15 ILE CD1 C 14.176 0.300 1 105 15 15 ILE N N 120.575 0.300 1 106 16 16 ARG H H 8.388 0.030 1 107 16 16 ARG HA H 4.928 0.030 1 108 16 16 ARG HB2 H 1.731 0.030 1 109 16 16 ARG HB3 H 1.731 0.030 1 110 16 16 ARG HG2 H 1.672 0.030 2 111 16 16 ARG HG3 H 1.778 0.030 2 112 16 16 ARG HD2 H 3.265 0.030 2 113 16 16 ARG HD3 H 3.378 0.030 2 114 16 16 ARG HE H 6.905 0.030 1 115 16 16 ARG C C 175.738 0.300 1 116 16 16 ARG CA C 55.503 0.300 1 117 16 16 ARG CB C 34.169 0.300 1 118 16 16 ARG CG C 28.508 0.300 1 119 16 16 ARG CD C 43.877 0.300 1 120 16 16 ARG N N 122.727 0.300 1 121 16 16 ARG NE N 84.212 0.300 1 122 17 17 PHE H H 9.181 0.030 1 123 17 17 PHE HA H 4.396 0.030 1 124 17 17 PHE HB2 H 2.884 0.030 1 125 17 17 PHE HB3 H 2.884 0.030 1 126 17 17 PHE HD1 H 7.075 0.030 1 127 17 17 PHE HD2 H 7.075 0.030 1 128 17 17 PHE HE1 H 6.921 0.030 1 129 17 17 PHE HE2 H 6.921 0.030 1 130 17 17 PHE HZ H 7.155 0.030 1 131 17 17 PHE C C 173.344 0.300 1 132 17 17 PHE CA C 57.774 0.300 1 133 17 17 PHE CB C 39.715 0.300 1 134 17 17 PHE CD1 C 132.032 0.300 1 135 17 17 PHE CD2 C 132.032 0.300 1 136 17 17 PHE CE1 C 131.089 0.300 1 137 17 17 PHE CE2 C 131.089 0.300 1 138 17 17 PHE CZ C 129.127 0.300 1 139 17 17 PHE N N 126.126 0.300 1 140 18 18 ASP H H 8.211 0.030 1 141 18 18 ASP HA H 4.490 0.030 1 142 18 18 ASP HB2 H 2.467 0.030 2 143 18 18 ASP HB3 H 2.835 0.030 2 144 18 18 ASP C C 175.867 0.300 1 145 18 18 ASP CA C 51.686 0.300 1 146 18 18 ASP CB C 42.041 0.300 1 147 18 18 ASP N N 129.637 0.300 1 148 19 19 ARG H H 8.205 0.030 1 149 19 19 ARG HA H 3.599 0.030 1 150 19 19 ARG HB2 H 1.626 0.030 2 151 19 19 ARG HB3 H 1.731 0.030 2 152 19 19 ARG HG2 H 1.681 0.030 2 153 19 19 ARG HG3 H 1.512 0.030 2 154 19 19 ARG HD2 H 3.216 0.030 2 155 19 19 ARG HD3 H 3.262 0.030 2 156 19 19 ARG C C 177.636 0.300 1 157 19 19 ARG CA C 58.332 0.300 1 158 19 19 ARG CB C 30.063 0.300 1 159 19 19 ARG CG C 26.489 0.300 1 160 19 19 ARG CD C 43.794 0.300 1 161 19 19 ARG N N 124.880 0.300 1 162 20 20 ARG H H 8.058 0.030 1 163 20 20 ARG HA H 4.124 0.030 1 164 20 20 ARG HB2 H 1.805 0.030 2 165 20 20 ARG HB3 H 1.860 0.030 2 166 20 20 ARG HG2 H 1.666 0.030 1 167 20 20 ARG HG3 H 1.666 0.030 1 168 20 20 ARG HD2 H 3.173 0.030 2 169 20 20 ARG HD3 H 3.235 0.030 2 170 20 20 ARG C C 177.052 0.300 1 171 20 20 ARG CA C 57.576 0.300 1 172 20 20 ARG CB C 29.714 0.300 1 173 20 20 ARG CG C 26.988 0.300 1 174 20 20 ARG CD C 43.294 0.300 1 175 20 20 ARG N N 116.716 0.300 1 176 21 21 ALA H H 7.635 0.030 1 177 21 21 ALA HA H 4.259 0.030 1 178 21 21 ALA HB H 1.345 0.030 1 179 21 21 ALA C C 175.461 0.300 1 180 21 21 ALA CA C 52.034 0.300 1 181 21 21 ALA CB C 19.286 0.300 1 182 21 21 ALA N N 119.312 0.300 1 183 22 22 TYR H H 7.371 0.030 1 184 22 22 TYR HA H 4.686 0.030 1 185 22 22 TYR HB2 H 2.790 0.030 2 186 22 22 TYR HB3 H 3.363 0.030 2 187 22 22 TYR HD1 H 7.137 0.030 1 188 22 22 TYR HD2 H 7.137 0.030 1 189 22 22 TYR HE1 H 6.899 0.030 1 190 22 22 TYR HE2 H 6.899 0.030 1 191 22 22 TYR C C 173.249 0.300 1 192 22 22 TYR CA C 56.662 0.300 1 193 22 22 TYR CB C 40.909 0.300 1 194 22 22 TYR CD1 C 133.584 0.300 1 195 22 22 TYR CD2 C 133.584 0.300 1 196 22 22 TYR CE1 C 118.589 0.300 1 197 22 22 TYR CE2 C 118.589 0.300 1 198 22 22 TYR N N 118.536 0.300 1 199 23 23 PRO HA H 4.742 0.030 1 200 23 23 PRO HB2 H 2.494 0.030 2 201 23 23 PRO HB3 H 1.933 0.030 2 202 23 23 PRO HG2 H 2.039 0.030 1 203 23 23 PRO HG3 H 2.039 0.030 1 204 23 23 PRO HD2 H 3.530 0.030 2 205 23 23 PRO HD3 H 3.784 0.030 2 206 23 23 PRO CA C 61.537 0.300 1 207 23 23 PRO CB C 30.664 0.300 1 208 23 23 PRO CG C 27.611 0.300 1 209 23 23 PRO CD C 50.844 0.300 1 210 24 24 PRO HA H 4.342 0.030 1 211 24 24 PRO HB2 H 1.927 0.030 2 212 24 24 PRO HB3 H 2.371 0.030 2 213 24 24 PRO HG2 H 2.089 0.030 1 214 24 24 PRO HG3 H 2.089 0.030 1 215 24 24 PRO HD2 H 3.826 0.030 2 216 24 24 PRO HD3 H 3.691 0.030 2 217 24 24 PRO C C 177.544 0.300 1 218 24 24 PRO CA C 64.443 0.300 1 219 24 24 PRO CB C 31.926 0.300 1 220 24 24 PRO CG C 27.737 0.300 1 221 24 24 PRO CD C 50.249 0.300 1 222 25 25 GLN H H 8.565 0.030 1 223 25 25 GLN HA H 4.174 0.030 1 224 25 25 GLN HB2 H 2.241 0.030 2 225 25 25 GLN HB3 H 2.198 0.030 2 226 25 25 GLN HG2 H 2.343 0.030 2 227 25 25 GLN HG3 H 2.404 0.030 2 228 25 25 GLN HE21 H 7.584 0.030 2 229 25 25 GLN HE22 H 6.901 0.030 2 230 25 25 GLN C C 175.044 0.300 1 231 25 25 GLN CA C 57.007 0.300 1 232 25 25 GLN CB C 27.760 0.300 1 233 25 25 GLN CG C 34.258 0.300 1 234 25 25 GLN N N 113.438 0.300 1 235 25 25 GLN NE2 N 111.950 0.300 1 236 26 26 ILE H H 7.630 0.030 1 237 26 26 ILE HA H 4.709 0.030 1 238 26 26 ILE HB H 1.852 0.030 1 239 26 26 ILE HG12 H 1.249 0.030 2 240 26 26 ILE HG13 H 1.479 0.030 2 241 26 26 ILE HG2 H 0.946 0.030 1 242 26 26 ILE HD1 H 0.833 0.030 1 243 26 26 ILE C C 174.178 0.300 1 244 26 26 ILE CA C 59.968 0.300 1 245 26 26 ILE CB C 40.099 0.300 1 246 26 26 ILE CG1 C 27.250 0.300 1 247 26 26 ILE CG2 C 18.003 0.300 1 248 26 26 ILE CD1 C 12.179 0.300 1 249 26 26 ILE N N 120.122 0.300 1 250 27 27 THR H H 7.168 0.030 1 251 27 27 THR HA H 4.521 0.030 1 252 27 27 THR HB H 4.225 0.030 1 253 27 27 THR HG2 H 1.081 0.030 1 254 27 27 THR C C 173.498 0.300 1 255 27 27 THR CA C 57.447 0.300 1 256 27 27 THR CB C 69.302 0.300 1 257 27 27 THR CG2 C 22.040 0.300 1 258 27 27 THR N N 112.192 0.300 1 259 28 28 PRO HA H 4.042 0.030 1 260 28 28 PRO HB2 H 2.052 0.030 2 261 28 28 PRO HB3 H 1.992 0.030 2 262 28 28 PRO HG2 H 1.677 0.030 2 263 28 28 PRO HG3 H 1.586 0.030 2 264 28 28 PRO HD2 H 2.979 0.030 2 265 28 28 PRO HD3 H 2.366 0.030 2 266 28 28 PRO C C 178.029 0.300 1 267 28 28 PRO CA C 65.666 0.300 1 268 28 28 PRO CB C 32.641 0.300 1 269 28 28 PRO CG C 28.069 0.300 1 270 28 28 PRO CD C 50.249 0.300 1 271 29 29 LYS H H 8.574 0.030 1 272 29 29 LYS HA H 3.664 0.030 1 273 29 29 LYS HB2 H 1.427 0.030 2 274 29 29 LYS HB3 H 1.657 0.030 2 275 29 29 LYS HG2 H 1.229 0.030 2 276 29 29 LYS HG3 H 1.283 0.030 2 277 29 29 LYS HD2 H 1.215 0.030 1 278 29 29 LYS HD3 H 1.215 0.030 1 279 29 29 LYS HE2 H 1.863 0.030 2 280 29 29 LYS HE3 H 2.434 0.030 2 281 29 29 LYS C C 180.297 0.300 1 282 29 29 LYS CA C 61.129 0.300 1 283 29 29 LYS CB C 33.052 0.300 1 284 29 29 LYS CG C 25.407 0.300 1 285 29 29 LYS CD C 29.733 0.300 1 286 29 29 LYS CE C 41.464 0.300 1 287 29 29 LYS N N 116.318 0.300 1 288 30 30 MET H H 7.518 0.030 1 289 30 30 MET HA H 4.162 0.030 1 290 30 30 MET HB2 H 2.314 0.030 1 291 30 30 MET HB3 H 2.314 0.030 1 292 30 30 MET HG2 H 2.573 0.030 2 293 30 30 MET HG3 H 2.672 0.030 2 294 30 30 MET HE H 2.199 0.030 1 295 30 30 MET C C 178.661 0.300 1 296 30 30 MET CA C 58.740 0.300 1 297 30 30 MET CB C 33.316 0.300 1 298 30 30 MET CG C 31.922 0.300 1 299 30 30 MET CE C 17.240 0.300 1 300 30 30 MET N N 119.216 0.300 1 301 31 31 CYS H H 8.041 0.030 1 302 31 31 CYS HA H 4.150 0.030 1 303 31 31 CYS HB2 H 2.924 0.030 2 304 31 31 CYS HB3 H 2.979 0.030 2 305 31 31 CYS C C 177.744 0.300 1 306 31 31 CYS CA C 63.228 0.300 1 307 31 31 CYS CB C 26.667 0.300 1 308 31 31 CYS N N 119.357 0.300 1 309 32 32 LEU H H 8.728 0.030 1 310 32 32 LEU HA H 4.338 0.030 1 311 32 32 LEU HB2 H 1.285 0.030 2 312 32 32 LEU HB3 H 1.963 0.030 2 313 32 32 LEU HG H 1.653 0.030 1 314 32 32 LEU HD1 H 0.913 0.030 1 315 32 32 LEU HD2 H 0.972 0.030 1 316 32 32 LEU C C 177.894 0.300 1 317 32 32 LEU CA C 57.795 0.300 1 318 32 32 LEU CB C 41.889 0.300 1 319 32 32 LEU CG C 27.404 0.300 1 320 32 32 LEU CD1 C 25.657 0.300 2 321 32 32 LEU CD2 C 23.660 0.300 2 322 32 32 LEU N N 121.740 0.300 1 323 33 33 LEU H H 8.013 0.030 1 324 33 33 LEU HA H 3.980 0.030 1 325 33 33 LEU HB2 H 1.831 0.030 2 326 33 33 LEU HB3 H 1.954 0.030 2 327 33 33 LEU HG H 1.663 0.030 1 328 33 33 LEU HD1 H 0.982 0.030 1 329 33 33 LEU HD2 H 1.015 0.030 1 330 33 33 LEU C C 179.201 0.300 1 331 33 33 LEU CA C 58.996 0.300 1 332 33 33 LEU CB C 41.841 0.300 1 333 33 33 LEU CG C 27.250 0.300 1 334 33 33 LEU CD1 C 25.241 0.300 2 335 33 33 LEU CD2 C 24.242 0.300 2 336 33 33 LEU N N 121.255 0.300 1 337 34 34 GLU H H 8.135 0.030 1 338 34 34 GLU HA H 4.126 0.030 1 339 34 34 GLU HB2 H 2.111 0.030 2 340 34 34 GLU HB3 H 2.156 0.030 2 341 34 34 GLU HG2 H 2.417 0.030 1 342 34 34 GLU HG3 H 2.417 0.030 1 343 34 34 GLU C C 178.613 0.300 1 344 34 34 GLU CA C 59.113 0.300 1 345 34 34 GLU CB C 29.001 0.300 1 346 34 34 GLU CG C 35.973 0.300 1 347 34 34 GLU N N 118.196 0.300 1 348 35 35 TRP H H 8.077 0.030 1 349 35 35 TRP HA H 4.199 0.030 1 350 35 35 TRP HB2 H 3.286 0.030 2 351 35 35 TRP HB3 H 3.536 0.030 2 352 35 35 TRP HD1 H 7.161 0.030 1 353 35 35 TRP HE1 H 10.092 0.030 1 354 35 35 TRP HE3 H 7.547 0.030 1 355 35 35 TRP HZ2 H 7.269 0.030 1 356 35 35 TRP HH2 H 6.966 0.030 1 357 35 35 TRP C C 177.284 0.300 1 358 35 35 TRP CA C 62.659 0.300 1 359 35 35 TRP CB C 27.968 0.300 1 360 35 35 TRP CD1 C 125.713 0.300 1 361 35 35 TRP CE3 C 120.502 0.300 1 362 35 35 TRP CZ2 C 114.053 0.300 1 363 35 35 TRP CZ3 C 121.221 0.300 1 364 35 35 TRP CH2 C 123.916 0.300 1 365 35 35 TRP N N 122.274 0.300 1 366 35 35 TRP NE1 N 129.959 0.300 1 367 36 36 CYS H H 8.431 0.030 1 368 36 36 CYS HA H 3.518 0.030 1 369 36 36 CYS HB2 H 2.702 0.030 2 370 36 36 CYS HB3 H 3.118 0.030 2 371 36 36 CYS C C 176.662 0.300 1 372 36 36 CYS CA C 64.748 0.300 1 373 36 36 CYS CB C 26.202 0.300 1 374 36 36 CYS N N 115.477 0.300 1 375 37 37 ARG H H 8.098 0.030 1 376 37 37 ARG HA H 4.028 0.030 1 377 37 37 ARG HB2 H 1.914 0.030 1 378 37 37 ARG HB3 H 1.914 0.030 1 379 37 37 ARG HG2 H 1.562 0.030 2 380 37 37 ARG HG3 H 1.784 0.030 2 381 37 37 ARG HD2 H 3.144 0.030 2 382 37 37 ARG HD3 H 3.203 0.030 2 383 37 37 ARG C C 180.529 0.300 1 384 37 37 ARG CA C 59.412 0.300 1 385 37 37 ARG CB C 30.093 0.300 1 386 37 37 ARG CG C 27.430 0.300 1 387 37 37 ARG CD C 43.781 0.300 1 388 37 37 ARG N N 117.856 0.300 1 389 38 38 ARG H H 8.196 0.030 1 390 38 38 ARG HA H 3.919 0.030 1 391 38 38 ARG HB2 H 1.868 0.030 2 392 38 38 ARG HB3 H 1.951 0.030 2 393 38 38 ARG HG2 H 1.604 0.030 2 394 38 38 ARG HG3 H 1.836 0.030 2 395 38 38 ARG HD2 H 3.251 0.030 2 396 38 38 ARG HD3 H 3.214 0.030 2 397 38 38 ARG HE H 7.649 0.030 1 398 38 38 ARG C C 178.256 0.300 1 399 38 38 ARG CA C 59.541 0.300 1 400 38 38 ARG CB C 30.305 0.300 1 401 38 38 ARG CG C 27.610 0.300 1 402 38 38 ARG CD C 43.794 0.300 1 403 38 38 ARG N N 121.490 0.300 1 404 38 38 ARG NE N 85.005 0.300 1 405 39 39 GLU H H 7.698 0.030 1 406 39 39 GLU HA H 3.883 0.030 1 407 39 39 GLU HB2 H 0.890 0.030 2 408 39 39 GLU HB3 H 1.793 0.030 2 409 39 39 GLU HG2 H 1.078 0.030 2 410 39 39 GLU HG3 H 1.365 0.030 2 411 39 39 GLU C C 174.591 0.300 1 412 39 39 GLU CA C 55.338 0.300 1 413 39 39 GLU CB C 29.479 0.300 1 414 39 39 GLU CG C 34.725 0.300 1 415 39 39 GLU N N 116.157 0.300 1 416 40 40 LYS H H 7.556 0.030 1 417 40 40 LYS HA H 3.767 0.030 1 418 40 40 LYS HB2 H 1.823 0.030 2 419 40 40 LYS HB3 H 2.035 0.030 2 420 40 40 LYS HG2 H 1.275 0.030 1 421 40 40 LYS HG3 H 1.275 0.030 1 422 40 40 LYS HD2 H 1.596 0.030 2 423 40 40 LYS HD3 H 1.672 0.030 2 424 40 40 LYS HE2 H 2.963 0.030 1 425 40 40 LYS HE3 H 2.963 0.030 1 426 40 40 LYS C C 175.712 0.300 1 427 40 40 LYS CA C 57.181 0.300 1 428 40 40 LYS CB C 28.370 0.300 1 429 40 40 LYS CG C 25.094 0.300 1 430 40 40 LYS CD C 29.025 0.300 1 431 40 40 LYS CE C 42.379 0.300 1 432 40 40 LYS N N 115.364 0.300 1 433 41 41 LEU H H 8.364 0.030 1 434 41 41 LEU HA H 4.696 0.030 1 435 41 41 LEU HB2 H 1.341 0.030 1 436 41 41 LEU HB3 H 1.341 0.030 1 437 41 41 LEU HG H 1.335 0.030 1 438 41 41 LEU HD1 H 0.840 0.030 1 439 41 41 LEU HD2 H 0.597 0.030 1 440 41 41 LEU C C 174.580 0.300 1 441 41 41 LEU CA C 52.046 0.300 1 442 41 41 LEU CB C 43.081 0.300 1 443 41 41 LEU CG C 26.564 0.300 1 444 41 41 LEU CD1 C 22.758 0.300 2 445 41 41 LEU CD2 C 26.711 0.300 2 446 41 41 LEU N N 120.235 0.300 1 447 42 42 PRO HA H 4.369 0.030 1 448 42 42 PRO HB2 H 1.816 0.030 2 449 42 42 PRO HB3 H 2.351 0.030 2 450 42 42 PRO HG2 H 2.081 0.030 1 451 42 42 PRO HG3 H 2.081 0.030 1 452 42 42 PRO HD2 H 3.519 0.030 2 453 42 42 PRO HD3 H 3.847 0.030 2 454 42 42 PRO C C 175.527 0.300 1 455 42 42 PRO CA C 62.108 0.300 1 456 42 42 PRO CB C 31.718 0.300 1 457 42 42 PRO CG C 27.737 0.300 1 458 42 42 PRO CD C 50.366 0.300 1 459 43 43 GLN H H 8.170 0.030 1 460 43 43 GLN HA H 4.286 0.030 1 461 43 43 GLN HB2 H 2.023 0.030 1 462 43 43 GLN HB3 H 2.023 0.030 1 463 43 43 GLN HG2 H 2.448 0.030 1 464 43 43 GLN HG3 H 2.448 0.030 1 465 43 43 GLN HE21 H 7.650 0.030 2 466 43 43 GLN HE22 H 6.891 0.030 2 467 43 43 GLN C C 174.498 0.300 1 468 43 43 GLN CA C 55.022 0.300 1 469 43 43 GLN CB C 27.533 0.300 1 470 43 43 GLN CG C 33.828 0.300 1 471 43 43 GLN N N 118.536 0.300 1 472 43 43 GLN NE2 N 112.079 0.300 1 473 44 44 PRO HA H 4.369 0.030 1 474 44 44 PRO HB2 H 1.590 0.030 2 475 44 44 PRO HB3 H 1.729 0.030 2 476 44 44 PRO HG2 H 2.246 0.030 2 477 44 44 PRO HG3 H 1.929 0.030 2 478 44 44 PRO HD2 H 3.647 0.030 2 479 44 44 PRO HD3 H 4.155 0.030 2 480 44 44 PRO C C 175.523 0.300 1 481 44 44 PRO CA C 63.071 0.300 1 482 44 44 PRO CB C 32.945 0.300 1 483 44 44 PRO CG C 28.569 0.300 1 484 44 44 PRO CD C 50.865 0.300 1 485 45 45 VAL H H 7.457 0.030 1 486 45 45 VAL HA H 4.332 0.030 1 487 45 45 VAL HB H 1.816 0.030 1 488 45 45 VAL HG1 H 0.917 0.030 1 489 45 45 VAL HG2 H 0.974 0.030 1 490 45 45 VAL C C 174.276 0.300 1 491 45 45 VAL CA C 61.398 0.300 1 492 45 45 VAL CB C 34.991 0.300 1 493 45 45 VAL CG1 C 21.321 0.300 2 494 45 45 VAL CG2 C 20.962 0.300 2 495 45 45 VAL N N 121.255 0.300 1 496 46 46 TYR H H 8.970 0.030 1 497 46 46 TYR HA H 4.973 0.030 1 498 46 46 TYR HB2 H 2.573 0.030 2 499 46 46 TYR HB3 H 2.740 0.030 2 500 46 46 TYR HD1 H 6.893 0.030 1 501 46 46 TYR HD2 H 6.893 0.030 1 502 46 46 TYR HE1 H 6.650 0.030 1 503 46 46 TYR HE2 H 6.650 0.030 1 504 46 46 TYR C C 175.868 0.300 1 505 46 46 TYR CA C 57.682 0.300 1 506 46 46 TYR CB C 40.656 0.300 1 507 46 46 TYR CD1 C 132.613 0.300 1 508 46 46 TYR CD2 C 132.613 0.300 1 509 46 46 TYR CE1 C 118.294 0.300 1 510 46 46 TYR CE2 C 118.294 0.300 1 511 46 46 TYR N N 125.786 0.300 1 512 47 47 GLU H H 8.999 0.030 1 513 47 47 GLU HA H 4.709 0.030 1 514 47 47 GLU HB2 H 1.907 0.030 2 515 47 47 GLU HB3 H 2.027 0.030 2 516 47 47 GLU HG2 H 2.127 0.030 1 517 47 47 GLU HG3 H 2.127 0.030 1 518 47 47 GLU C C 175.484 0.300 1 519 47 47 GLU CA C 55.617 0.300 1 520 47 47 GLU CB C 32.451 0.300 1 521 47 47 GLU CG C 36.472 0.300 1 522 47 47 GLU N N 124.993 0.300 1 523 48 48 THR H H 9.144 0.030 1 524 48 48 THR HA H 5.007 0.030 1 525 48 48 THR HB H 3.919 0.030 1 526 48 48 THR HG2 H 1.298 0.030 1 527 48 48 THR C C 173.529 0.300 1 528 48 48 THR CA C 62.960 0.300 1 529 48 48 THR CB C 69.492 0.300 1 530 48 48 THR CG2 C 23.910 0.300 1 531 48 48 THR N N 125.333 0.300 1 532 49 49 VAL H H 8.735 0.030 1 533 49 49 VAL HA H 4.678 0.030 1 534 49 49 VAL HB H 2.190 0.030 1 535 49 49 VAL HG1 H 1.003 0.030 1 536 49 49 VAL HG2 H 0.980 0.030 1 537 49 49 VAL C C 172.804 0.300 1 538 49 49 VAL CA C 59.939 0.300 1 539 49 49 VAL CB C 35.336 0.300 1 540 49 49 VAL CG1 C 21.095 0.300 2 541 49 49 VAL CG2 C 19.728 0.300 2 542 49 49 VAL N N 124.993 0.300 1 543 50 50 GLN H H 8.375 0.030 1 544 50 50 GLN HA H 5.086 0.030 1 545 50 50 GLN HB2 H 1.309 0.030 2 546 50 50 GLN HB3 H 1.757 0.030 2 547 50 50 GLN HG2 H 1.543 0.030 2 548 50 50 GLN HG3 H 0.928 0.030 2 549 50 50 GLN HE21 H 6.920 0.030 2 550 50 50 GLN HE22 H 7.010 0.030 2 551 50 50 GLN C C 175.897 0.300 1 552 50 50 GLN CA C 52.980 0.300 1 553 50 50 GLN CB C 31.561 0.300 1 554 50 50 GLN CG C 33.311 0.300 1 555 50 50 GLN N N 122.474 0.300 1 556 50 50 GLN NE2 N 113.778 0.300 1 557 51 51 ARG H H 8.962 0.030 1 558 51 51 ARG HA H 4.879 0.030 1 559 51 51 ARG HB2 H 1.500 0.030 2 560 51 51 ARG HB3 H 1.658 0.030 2 561 51 51 ARG HG2 H 1.310 0.030 1 562 51 51 ARG HG3 H 1.310 0.030 1 563 51 51 ARG HD2 H 2.180 0.030 2 564 51 51 ARG HD3 H 0.855 0.030 2 565 51 51 ARG HE H 5.361 0.030 1 566 51 51 ARG C C 176.541 0.300 1 567 51 51 ARG CA C 53.975 0.300 1 568 51 51 ARG CB C 31.397 0.300 1 569 51 51 ARG CG C 25.324 0.300 1 570 51 51 ARG CD C 43.062 0.300 1 571 51 51 ARG N N 126.466 0.300 1 572 52 52 THR H H 8.440 0.030 1 573 52 52 THR HA H 3.795 0.030 1 574 52 52 THR HB H 4.111 0.030 1 575 52 52 THR HG2 H 1.206 0.030 1 576 52 52 THR C C 177.504 0.300 1 577 52 52 THR CA C 65.162 0.300 1 578 52 52 THR CB C 68.935 0.300 1 579 52 52 THR CG2 C 22.162 0.300 1 580 52 52 THR N N 117.035 0.300 1 581 53 53 ILE H H 7.940 0.030 1 582 53 53 ILE HA H 3.919 0.030 1 583 53 53 ILE HB H 1.767 0.030 1 584 53 53 ILE HG12 H 1.064 0.030 2 585 53 53 ILE HG13 H 1.308 0.030 2 586 53 53 ILE HG2 H 0.667 0.030 1 587 53 53 ILE HD1 H 0.790 0.030 1 588 53 53 ILE C C 175.428 0.300 1 589 53 53 ILE CA C 63.642 0.300 1 590 53 53 ILE CB C 37.425 0.300 1 591 53 53 ILE CG1 C 28.328 0.300 1 592 53 53 ILE CG2 C 16.829 0.300 1 593 53 53 ILE CD1 C 13.712 0.300 1 594 53 53 ILE N N 118.705 0.300 1 595 54 54 ASP H H 6.835 0.030 1 596 54 54 ASP HA H 4.612 0.030 1 597 54 54 ASP HB2 H 2.347 0.030 2 598 54 54 ASP HB3 H 2.983 0.030 2 599 54 54 ASP C C 175.361 0.300 1 600 54 54 ASP CA C 52.139 0.300 1 601 54 54 ASP CB C 41.451 0.300 1 602 54 54 ASP N N 116.157 0.300 1 603 55 55 ARG H H 7.540 0.030 1 604 55 55 ARG HA H 3.858 0.030 1 605 55 55 ARG HB2 H 1.937 0.030 2 606 55 55 ARG HB3 H 2.085 0.030 2 607 55 55 ARG HG2 H 1.456 0.030 2 608 55 55 ARG HG3 H 1.572 0.030 2 609 55 55 ARG HD2 H 3.118 0.030 2 610 55 55 ARG HD3 H 3.156 0.030 2 611 55 55 ARG C C 175.817 0.300 1 612 55 55 ARG CA C 57.594 0.300 1 613 55 55 ARG CB C 26.705 0.300 1 614 55 55 ARG CG C 27.610 0.300 1 615 55 55 ARG CD C 43.062 0.300 1 616 55 55 ARG N N 111.966 0.300 1 617 56 56 MET H H 7.355 0.030 1 618 56 56 MET HA H 4.867 0.030 1 619 56 56 MET HB2 H 2.306 0.030 2 620 56 56 MET HB3 H 2.554 0.030 2 621 56 56 MET HG2 H 2.449 0.030 2 622 56 56 MET HG3 H 2.065 0.030 2 623 56 56 MET HE H 2.019 0.030 1 624 56 56 MET C C 174.344 0.300 1 625 56 56 MET CA C 55.939 0.300 1 626 56 56 MET CB C 34.218 0.300 1 627 56 56 MET CG C 34.226 0.300 1 628 56 56 MET CE C 17.907 0.300 1 629 56 56 MET N N 117.403 0.300 1 630 57 57 PHE H H 9.882 0.030 1 631 57 57 PHE HA H 5.978 0.030 1 632 57 57 PHE HB2 H 2.539 0.030 1 633 57 57 PHE HB3 H 2.539 0.030 1 634 57 57 PHE HD1 H 7.008 0.030 1 635 57 57 PHE HD2 H 7.008 0.030 1 636 57 57 PHE HE1 H 7.376 0.030 1 637 57 57 PHE HE2 H 7.376 0.030 1 638 57 57 PHE HZ H 7.295 0.030 1 639 57 57 PHE C C 175.281 0.300 1 640 57 57 PHE CA C 57.209 0.300 1 641 57 57 PHE CB C 44.469 0.300 1 642 57 57 PHE CD1 C 131.676 0.300 1 643 57 57 PHE CD2 C 131.676 0.300 1 644 57 57 PHE CE1 C 131.642 0.300 1 645 57 57 PHE CE2 C 131.642 0.300 1 646 57 57 PHE CZ C 131.103 0.300 1 647 57 57 PHE N N 116.497 0.300 1 648 58 58 CYS H H 8.408 0.030 1 649 58 58 CYS HA H 4.448 0.030 1 650 58 58 CYS HB2 H 0.814 0.030 2 651 58 58 CYS HB3 H 0.718 0.030 2 652 58 58 CYS C C 173.605 0.300 1 653 58 58 CYS CA C 58.936 0.300 1 654 58 58 CYS CB C 25.452 0.300 1 655 58 58 CYS N N 118.763 0.300 1 656 59 59 SER H H 9.711 0.030 1 657 59 59 SER HA H 5.463 0.030 1 658 59 59 SER HB2 H 3.475 0.030 2 659 59 59 SER HB3 H 3.655 0.030 2 660 59 59 SER C C 172.565 0.300 1 661 59 59 SER CA C 57.795 0.300 1 662 59 59 SER CB C 65.587 0.300 1 663 59 59 SER N N 126.692 0.300 1 664 60 60 VAL H H 8.829 0.030 1 665 60 60 VAL HA H 4.842 0.030 1 666 60 60 VAL HB H 1.938 0.030 1 667 60 60 VAL HG1 H 0.856 0.030 1 668 60 60 VAL HG2 H 0.873 0.030 1 669 60 60 VAL C C 176.308 0.300 1 670 60 60 VAL CA C 60.547 0.300 1 671 60 60 VAL CB C 34.258 0.300 1 672 60 60 VAL CG1 C 21.501 0.300 2 673 60 60 VAL CG2 C 21.680 0.300 2 674 60 60 VAL N N 124.993 0.300 1 675 61 61 VAL H H 9.039 0.030 1 676 61 61 VAL HA H 5.368 0.030 1 677 61 61 VAL HB H 1.516 0.030 1 678 61 61 VAL HG1 H 0.797 0.030 1 679 61 61 VAL HG2 H -0.011 0.030 1 680 61 61 VAL C C 173.189 0.300 1 681 61 61 VAL CA C 57.058 0.300 1 682 61 61 VAL CB C 35.003 0.300 1 683 61 61 VAL CG1 C 20.962 0.300 2 684 61 61 VAL CG2 C 22.552 0.300 2 685 61 61 VAL N N 127.712 0.300 1 686 62 62 THR H H 8.768 0.030 1 687 62 62 THR HA H 5.226 0.030 1 688 62 62 THR HB H 3.804 0.030 1 689 62 62 THR HG2 H 0.903 0.030 1 690 62 62 THR C C 175.740 0.300 1 691 62 62 THR CA C 61.689 0.300 1 692 62 62 THR CB C 69.507 0.300 1 693 62 62 THR CG2 C 20.665 0.300 1 694 62 62 THR N N 124.426 0.300 1 695 63 63 VAL H H 9.070 0.030 1 696 63 63 VAL HA H 4.369 0.030 1 697 63 63 VAL HB H 1.987 0.030 1 698 63 63 VAL HG1 H 1.030 0.030 1 699 63 63 VAL HG2 H 0.963 0.030 1 700 63 63 VAL C C 175.993 0.300 1 701 63 63 VAL CA C 61.478 0.300 1 702 63 63 VAL CB C 35.864 0.300 1 703 63 63 VAL CG1 C 22.040 0.300 2 704 63 63 VAL CG2 C 23.657 0.300 2 705 63 63 VAL N N 128.505 0.300 1 706 64 64 ALA H H 9.665 0.030 1 707 64 64 ALA HA H 4.038 0.030 1 708 64 64 ALA HB H 1.526 0.030 1 709 64 64 ALA C C 175.945 0.300 1 710 64 64 ALA CA C 53.513 0.300 1 711 64 64 ALA CB C 17.450 0.300 1 712 64 64 ALA N N 133.715 0.300 1 713 65 65 GLU H H 8.491 0.030 1 714 65 65 GLU HA H 3.703 0.030 1 715 65 65 GLU HB2 H 2.227 0.030 1 716 65 65 GLU HB3 H 2.227 0.030 1 717 65 65 GLU HG2 H 2.105 0.030 2 718 65 65 GLU HG3 H 2.196 0.030 2 719 65 65 GLU C C 174.625 0.300 1 720 65 65 GLU CA C 57.789 0.300 1 721 65 65 GLU CB C 28.048 0.300 1 722 65 65 GLU CG C 36.722 0.300 1 723 65 65 GLU N N 110.040 0.300 1 724 66 66 GLN H H 7.950 0.030 1 725 66 66 GLN HA H 4.475 0.030 1 726 66 66 GLN HB2 H 2.011 0.030 1 727 66 66 GLN HB3 H 2.011 0.030 1 728 66 66 GLN HG2 H 1.636 0.030 2 729 66 66 GLN HG3 H 2.153 0.030 2 730 66 66 GLN HE21 H 6.899 0.030 2 731 66 66 GLN HE22 H 7.707 0.030 2 732 66 66 GLN C C 173.149 0.300 1 733 66 66 GLN CA C 54.078 0.300 1 734 66 66 GLN CB C 31.233 0.300 1 735 66 66 GLN CG C 34.078 0.300 1 736 66 66 GLN N N 121.368 0.300 1 737 66 66 GLN NE2 N 116.837 0.300 1 738 67 67 LYS H H 7.946 0.030 1 739 67 67 LYS HA H 5.243 0.030 1 740 67 67 LYS HB2 H 1.348 0.030 2 741 67 67 LYS HB3 H 1.582 0.030 2 742 67 67 LYS HG2 H 1.267 0.030 2 743 67 67 LYS HG3 H 1.489 0.030 2 744 67 67 LYS HD2 H 1.451 0.030 1 745 67 67 LYS HD3 H 1.451 0.030 1 746 67 67 LYS HE2 H 2.827 0.030 2 747 67 67 LYS HE3 H 2.863 0.030 2 748 67 67 LYS C C 176.337 0.300 1 749 67 67 LYS CA C 55.817 0.300 1 750 67 67 LYS CB C 36.215 0.300 1 751 67 67 LYS CG C 25.993 0.300 1 752 67 67 LYS CD C 29.227 0.300 1 753 67 67 LYS CE C 42.296 0.300 1 754 67 67 LYS N N 123.633 0.300 1 755 68 68 TYR H H 8.848 0.030 1 756 68 68 TYR HA H 5.442 0.030 1 757 68 68 TYR HB2 H 2.671 0.030 2 758 68 68 TYR HB3 H 2.782 0.030 2 759 68 68 TYR HD1 H 7.181 0.030 1 760 68 68 TYR HD2 H 7.181 0.030 1 761 68 68 TYR HE1 H 6.762 0.030 1 762 68 68 TYR HE2 H 6.762 0.030 1 763 68 68 TYR C C 174.543 0.300 1 764 68 68 TYR CA C 56.702 0.300 1 765 68 68 TYR CB C 40.748 0.300 1 766 68 68 TYR CE1 C 118.694 0.300 1 767 68 68 TYR CE2 C 118.694 0.300 1 768 68 68 TYR N N 120.462 0.300 1 769 69 69 GLN H H 8.955 0.030 1 770 69 69 GLN HA H 4.686 0.030 1 771 69 69 GLN HB2 H 1.783 0.030 2 772 69 69 GLN HB3 H 1.939 0.030 2 773 69 69 GLN HG2 H 2.473 0.030 2 774 69 69 GLN HG3 H 2.795 0.030 2 775 69 69 GLN HE21 H 6.263 0.030 2 776 69 69 GLN HE22 H 6.305 0.030 2 777 69 69 GLN C C 173.050 0.300 1 778 69 69 GLN CA C 55.364 0.300 1 779 69 69 GLN CB C 34.968 0.300 1 780 69 69 GLN CG C 33.144 0.300 1 781 69 69 GLN N N 120.802 0.300 1 782 69 69 GLN NE2 N 109.134 0.300 1 783 70 70 SER H H 10.782 0.030 1 784 70 70 SER HA H 5.640 0.030 1 785 70 70 SER HB2 H 3.794 0.030 2 786 70 70 SER HB3 H 3.914 0.030 2 787 70 70 SER C C 176.036 0.300 1 788 70 70 SER CA C 55.483 0.300 1 789 70 70 SER CB C 64.119 0.300 1 790 70 70 SER N N 120.462 0.300 1 791 71 71 THR H H 7.902 0.030 1 792 71 71 THR HA H 4.354 0.030 1 793 71 71 THR HB H 4.481 0.030 1 794 71 71 THR HG2 H 1.115 0.030 1 795 71 71 THR C C 175.038 0.300 1 796 71 71 THR CA C 62.466 0.300 1 797 71 71 THR CB C 67.888 0.300 1 798 71 71 THR CG2 C 23.244 0.300 1 799 71 71 THR N N 111.853 0.300 1 800 72 72 LEU H H 9.201 0.030 1 801 72 72 LEU HA H 4.871 0.030 1 802 72 72 LEU HB2 H 1.395 0.030 2 803 72 72 LEU HB3 H 1.775 0.030 2 804 72 72 LEU HG H 1.479 0.030 1 805 72 72 LEU HD1 H 0.651 0.030 1 806 72 72 LEU HD2 H 0.861 0.030 1 807 72 72 LEU C C 175.835 0.300 1 808 72 72 LEU CA C 54.022 0.300 1 809 72 72 LEU CB C 42.269 0.300 1 810 72 72 LEU CG C 27.120 0.300 1 811 72 72 LEU CD1 C 25.241 0.300 2 812 72 72 LEU CD2 C 22.579 0.300 2 813 72 72 LEU N N 124.200 0.300 1 814 73 73 TRP H H 8.712 0.030 1 815 73 73 TRP HA H 4.803 0.030 1 816 73 73 TRP HB2 H 2.942 0.030 2 817 73 73 TRP HB3 H 3.351 0.030 2 818 73 73 TRP HD1 H 7.259 0.030 1 819 73 73 TRP HE1 H 9.830 0.030 1 820 73 73 TRP HE3 H 7.153 0.030 1 821 73 73 TRP HZ2 H 7.366 0.030 1 822 73 73 TRP HH2 H 6.966 0.030 1 823 73 73 TRP C C 176.273 0.300 1 824 73 73 TRP CA C 58.154 0.300 1 825 73 73 TRP CB C 30.442 0.300 1 826 73 73 TRP CD1 C 126.072 0.300 1 827 73 73 TRP CE3 C 120.502 0.300 1 828 73 73 TRP CZ2 C 114.321 0.300 1 829 73 73 TRP CZ3 C 122.658 0.300 1 830 73 73 TRP CH2 C 123.916 0.300 1 831 73 73 TRP N N 121.481 0.300 1 832 73 73 TRP NE1 N 130.204 0.300 1 833 74 74 ASP H H 9.989 0.030 1 834 74 74 ASP HA H 5.574 0.030 1 835 74 74 ASP HB2 H 2.479 0.030 2 836 74 74 ASP HB3 H 2.829 0.030 2 837 74 74 ASP C C 177.831 0.300 1 838 74 74 ASP CA C 53.993 0.300 1 839 74 74 ASP CB C 49.135 0.300 1 840 74 74 ASP N N 122.388 0.300 1 841 75 75 LYS H H 9.495 0.030 1 842 75 75 LYS HA H 4.710 0.030 1 843 75 75 LYS HB2 H 1.963 0.030 2 844 75 75 LYS HB3 H 2.095 0.030 2 845 75 75 LYS HG2 H 1.659 0.030 1 846 75 75 LYS HG3 H 1.659 0.030 1 847 75 75 LYS HD2 H 1.810 0.030 1 848 75 75 LYS HD3 H 1.810 0.030 1 849 75 75 LYS HE2 H 3.072 0.030 1 850 75 75 LYS HE3 H 3.072 0.030 1 851 75 75 LYS C C 176.092 0.300 1 852 75 75 LYS CA C 58.192 0.300 1 853 75 75 LYS CB C 33.910 0.300 1 854 75 75 LYS CG C 25.657 0.300 1 855 75 75 LYS CD C 29.484 0.300 1 856 75 75 LYS CE C 42.130 0.300 1 857 75 75 LYS N N 115.930 0.300 1 858 76 76 SER H H 7.472 0.030 1 859 76 76 SER HA H 4.578 0.030 1 860 76 76 SER HB2 H 3.775 0.030 2 861 76 76 SER HB3 H 4.027 0.030 2 862 76 76 SER C C 172.661 0.300 1 863 76 76 SER CA C 56.005 0.300 1 864 76 76 SER CB C 67.071 0.300 1 865 76 76 SER N N 111.399 0.300 1 866 77 77 LYS H H 7.836 0.030 1 867 77 77 LYS HA H 3.193 0.030 1 868 77 77 LYS HB2 H 1.213 0.030 2 869 77 77 LYS HB3 H 1.338 0.030 2 870 77 77 LYS HG2 H 0.907 0.030 2 871 77 77 LYS HG3 H 1.127 0.030 2 872 77 77 LYS HD2 H 1.511 0.030 2 873 77 77 LYS HD3 H 1.580 0.030 2 874 77 77 LYS HE2 H 2.920 0.030 1 875 77 77 LYS HE3 H 2.920 0.030 1 876 77 77 LYS C C 176.860 0.300 1 877 77 77 LYS CA C 59.412 0.300 1 878 77 77 LYS CB C 32.248 0.300 1 879 77 77 LYS CG C 24.575 0.300 1 880 77 77 LYS CD C 29.816 0.300 1 881 77 77 LYS CE C 42.130 0.300 1 882 77 77 LYS N N 123.180 0.300 1 883 78 78 LYS H H 7.831 0.030 1 884 78 78 LYS HA H 3.775 0.030 1 885 78 78 LYS HB2 H 1.688 0.030 2 886 78 78 LYS HB3 H 1.646 0.030 2 887 78 78 LYS HG2 H 1.295 0.030 2 888 78 78 LYS HG3 H 1.434 0.030 2 889 78 78 LYS HD2 H 1.611 0.030 1 890 78 78 LYS HD3 H 1.611 0.030 1 891 78 78 LYS HE2 H 2.921 0.030 1 892 78 78 LYS HE3 H 2.921 0.030 1 893 78 78 LYS C C 179.774 0.300 1 894 78 78 LYS CA C 59.412 0.300 1 895 78 78 LYS CB C 32.441 0.300 1 896 78 78 LYS CG C 25.407 0.300 1 897 78 78 LYS CD C 29.401 0.300 1 898 78 78 LYS CE C 41.963 0.300 1 899 78 78 LYS N N 116.157 0.300 1 900 79 79 LEU H H 7.402 0.030 1 901 79 79 LEU HA H 3.948 0.030 1 902 79 79 LEU HB2 H 1.744 0.030 1 903 79 79 LEU HB3 H 1.744 0.030 1 904 79 79 LEU HG H 1.621 0.030 1 905 79 79 LEU HD1 H 1.087 0.030 1 906 79 79 LEU HD2 H 1.106 0.030 1 907 79 79 LEU C C 177.738 0.300 1 908 79 79 LEU CA C 57.882 0.300 1 909 79 79 LEU CB C 41.727 0.300 1 910 79 79 LEU CG C 27.487 0.300 1 911 79 79 LEU CD1 C 26.172 0.300 2 912 79 79 LEU CD2 C 22.189 0.300 2 913 79 79 LEU N N 118.360 0.300 1 914 80 80 ALA H H 7.925 0.030 1 915 80 80 ALA HA H 4.414 0.030 1 916 80 80 ALA HB H 1.506 0.030 1 917 80 80 ALA C C 181.821 0.300 1 918 80 80 ALA CA C 54.760 0.300 1 919 80 80 ALA CB C 18.277 0.300 1 920 80 80 ALA N N 120.235 0.300 1 921 81 81 GLU H H 7.959 0.030 1 922 81 81 GLU HA H 3.832 0.030 1 923 81 81 GLU HB2 H 0.956 0.030 2 924 81 81 GLU HB3 H 1.663 0.030 2 925 81 81 GLU HG2 H 2.555 0.030 2 926 81 81 GLU HG3 H 1.807 0.030 2 927 81 81 GLU C C 177.546 0.300 1 928 81 81 GLU CA C 59.929 0.300 1 929 81 81 GLU CB C 29.532 0.300 1 930 81 81 GLU CG C 36.306 0.300 1 931 81 81 GLU N N 118.876 0.300 1 932 82 82 GLN H H 7.030 0.030 1 933 82 82 GLN HA H 3.910 0.030 1 934 82 82 GLN HB2 H 0.788 0.030 2 935 82 82 GLN HB3 H 1.565 0.030 2 936 82 82 GLN HG2 H 2.533 0.030 2 937 82 82 GLN HG3 H 1.650 0.030 2 938 82 82 GLN HE21 H 6.166 0.030 2 939 82 82 GLN HE22 H 7.007 0.030 2 940 82 82 GLN C C 178.733 0.300 1 941 82 82 GLN CA C 58.081 0.300 1 942 82 82 GLN CB C 27.250 0.300 1 943 82 82 GLN CG C 30.149 0.300 1 944 82 82 GLN N N 116.011 0.300 1 945 82 82 GLN NE2 N 107.888 0.300 1 946 83 83 THR H H 8.482 0.030 1 947 83 83 THR HA H 3.705 0.030 1 948 83 83 THR HB H 4.500 0.030 1 949 83 83 THR HG2 H 1.462 0.030 1 950 83 83 THR C C 175.188 0.300 1 951 83 83 THR CA C 67.057 0.300 1 952 83 83 THR CB C 68.912 0.300 1 953 83 83 THR CG2 C 25.740 0.300 1 954 83 83 THR N N 117.225 0.300 1 955 84 84 ALA H H 7.749 0.030 1 956 84 84 ALA HA H 4.092 0.030 1 957 84 84 ALA HB H 1.525 0.030 1 958 84 84 ALA C C 179.049 0.300 1 959 84 84 ALA CA C 55.939 0.300 1 960 84 84 ALA CB C 18.513 0.300 1 961 84 84 ALA N N 122.727 0.300 1 962 85 85 ALA H H 7.808 0.030 1 963 85 85 ALA HA H 3.830 0.030 1 964 85 85 ALA HB H 1.459 0.030 1 965 85 85 ALA C C 179.882 0.300 1 966 85 85 ALA CA C 55.459 0.300 1 967 85 85 ALA CB C 17.194 0.300 1 968 85 85 ALA N N 117.970 0.300 1 969 86 86 ILE H H 7.842 0.030 1 970 86 86 ILE HA H 3.619 0.030 1 971 86 86 ILE HB H 2.053 0.030 1 972 86 86 ILE HG12 H 1.899 0.030 2 973 86 86 ILE HG13 H 1.167 0.030 2 974 86 86 ILE HG2 H 0.984 0.030 1 975 86 86 ILE HD1 H 1.107 0.030 1 976 86 86 ILE C C 177.202 0.300 1 977 86 86 ILE CA C 65.701 0.300 1 978 86 86 ILE CB C 37.303 0.300 1 979 86 86 ILE CG1 C 29.401 0.300 1 980 86 86 ILE CG2 C 18.806 0.300 1 981 86 86 ILE CD1 C 15.212 0.300 1 982 86 86 ILE N N 116.185 0.300 1 983 87 87 VAL H H 7.828 0.030 1 984 87 87 VAL HA H 3.475 0.030 1 985 87 87 VAL HB H 2.250 0.030 1 986 87 87 VAL HG1 H 1.016 0.030 1 987 87 87 VAL HG2 H 1.053 0.030 1 988 87 87 VAL C C 178.257 0.300 1 989 87 87 VAL CA C 67.219 0.300 1 990 87 87 VAL CB C 30.781 0.300 1 991 87 87 VAL CG1 C 22.189 0.300 1 992 87 87 VAL CG2 C 22.189 0.300 1 993 87 87 VAL N N 120.235 0.300 1 994 88 88 CYS H H 7.404 0.030 1 995 88 88 CYS HA H 2.783 0.030 1 996 88 88 CYS HB2 H 2.005 0.030 2 997 88 88 CYS HB3 H 2.487 0.030 2 998 88 88 CYS C C 175.864 0.300 1 999 88 88 CYS CA C 62.505 0.300 1 1000 88 88 CYS CB C 25.986 0.300 1 1001 88 88 CYS N N 118.781 0.300 1 1002 89 89 LEU H H 8.190 0.030 1 1003 89 89 LEU HA H 3.468 0.030 1 1004 89 89 LEU HB2 H 1.183 0.030 2 1005 89 89 LEU HB3 H 1.728 0.030 2 1006 89 89 LEU HG H 1.661 0.030 1 1007 89 89 LEU HD1 H 0.839 0.030 1 1008 89 89 LEU HD2 H 0.460 0.030 1 1009 89 89 LEU C C 178.784 0.300 1 1010 89 89 LEU CA C 58.492 0.300 1 1011 89 89 LEU CB C 42.564 0.300 1 1012 89 89 LEU CG C 26.711 0.300 1 1013 89 89 LEU CD1 C 26.239 0.300 2 1014 89 89 LEU CD2 C 23.244 0.300 2 1015 89 89 LEU N N 117.743 0.300 1 1016 90 90 ARG H H 9.259 0.030 1 1017 90 90 ARG HA H 4.206 0.030 1 1018 90 90 ARG HB2 H 1.664 0.030 2 1019 90 90 ARG HB3 H 1.911 0.030 2 1020 90 90 ARG HG2 H 1.618 0.030 1 1021 90 90 ARG HG3 H 1.618 0.030 1 1022 90 90 ARG HD2 H 2.985 0.030 2 1023 90 90 ARG HD3 H 3.199 0.030 2 1024 90 90 ARG C C 181.279 0.300 1 1025 90 90 ARG CA C 58.768 0.300 1 1026 90 90 ARG CB C 29.842 0.300 1 1027 90 90 ARG CG C 27.250 0.300 1 1028 90 90 ARG CD C 42.882 0.300 1 1029 90 90 ARG N N 118.196 0.300 1 1030 91 91 SER H H 8.323 0.030 1 1031 91 91 SER HA H 4.139 0.030 1 1032 91 91 SER HB2 H 4.068 0.030 1 1033 91 91 SER HB3 H 4.068 0.030 1 1034 91 91 SER C C 175.815 0.300 1 1035 91 91 SER CA C 62.088 0.300 1 1036 91 91 SER CB C 63.384 0.300 1 1037 91 91 SER N N 115.986 0.300 1 1038 92 92 GLN H H 7.227 0.030 1 1039 92 92 GLN HA H 4.308 0.030 1 1040 92 92 GLN HB2 H 1.507 0.030 2 1041 92 92 GLN HB3 H 2.014 0.030 2 1042 92 92 GLN HG2 H 2.093 0.030 2 1043 92 92 GLN HG3 H 2.136 0.030 2 1044 92 92 GLN HE21 H 5.615 0.030 2 1045 92 92 GLN HE22 H 6.406 0.030 2 1046 92 92 GLN C C 175.709 0.300 1 1047 92 92 GLN CA C 55.639 0.300 1 1048 92 92 GLN CB C 30.694 0.300 1 1049 92 92 GLN CG C 34.617 0.300 1 1050 92 92 GLN N N 115.704 0.300 1 1051 92 92 GLN NE2 N 109.587 0.300 1 1052 93 93 GLY H H 7.737 0.030 1 1053 93 93 GLY HA2 H 3.859 0.030 1 1054 93 93 GLY HA3 H 3.859 0.030 1 1055 93 93 GLY C C 174.649 0.300 1 1056 93 93 GLY CA C 46.231 0.300 1 1057 93 93 GLY N N 108.907 0.300 1 1058 94 94 LEU H H 7.851 0.030 1 1059 94 94 LEU HA H 4.387 0.030 1 1060 94 94 LEU HB2 H 1.246 0.030 2 1061 94 94 LEU HB3 H 1.008 0.030 2 1062 94 94 LEU HG H 1.052 0.030 1 1063 94 94 LEU HD1 H -0.476 0.030 1 1064 94 94 LEU HD2 H 0.418 0.030 1 1065 94 94 LEU C C 174.491 0.300 1 1066 94 94 LEU CA C 52.585 0.300 1 1067 94 94 LEU CB C 41.445 0.300 1 1068 94 94 LEU CG C 26.352 0.300 1 1069 94 94 LEU CD1 C 23.534 0.300 2 1070 94 94 LEU CD2 C 21.642 0.300 2 1071 94 94 LEU N N 121.141 0.300 1 1072 95 95 PRO HA H 4.283 0.030 1 1073 95 95 PRO HB2 H 1.857 0.030 2 1074 95 95 PRO HB3 H 2.291 0.030 2 1075 95 95 PRO HG2 H 1.976 0.030 2 1076 95 95 PRO HG3 H 2.099 0.030 2 1077 95 95 PRO HD2 H 3.789 0.030 2 1078 95 95 PRO HD3 H 3.454 0.030 2 1079 95 95 PRO C C 177.172 0.300 1 1080 95 95 PRO CA C 63.580 0.300 1 1081 95 95 PRO CB C 31.685 0.300 1 1082 95 95 PRO CG C 27.820 0.300 1 1083 95 95 PRO CD C 50.283 0.300 1 1084 96 96 GLU H H 8.991 0.030 1 1085 96 96 GLU HA H 4.374 0.030 1 1086 96 96 GLU HB2 H 1.961 0.030 2 1087 96 96 GLU HB3 H 2.066 0.030 2 1088 96 96 GLU HG2 H 2.320 0.030 2 1089 96 96 GLU HG3 H 2.272 0.030 2 1090 96 96 GLU C C 176.472 0.300 1 1091 96 96 GLU CA C 56.358 0.300 1 1092 96 96 GLU CB C 31.447 0.300 1 1093 96 96 GLU CG C 37.055 0.300 1 1094 96 96 GLU N N 120.329 0.300 1 1095 97 97 GLY H H 8.263 0.030 1 1096 97 97 GLY HA2 H 3.631 0.030 2 1097 97 97 GLY HA3 H 3.971 0.030 2 1098 97 97 GLY C C 173.594 0.300 1 1099 97 97 GLY CA C 45.979 0.300 1 1100 97 97 GLY N N 108.228 0.300 1 1101 98 98 ARG H H 7.404 0.030 1 1102 98 98 ARG HA H 3.846 0.030 1 1103 98 98 ARG HB2 H 1.623 0.030 2 1104 98 98 ARG HB3 H 1.703 0.030 2 1105 98 98 ARG HG2 H 1.303 0.030 2 1106 98 98 ARG HG3 H 1.402 0.030 2 1107 98 98 ARG HD2 H 3.121 0.030 1 1108 98 98 ARG HD3 H 3.121 0.030 1 1109 98 98 ARG HE H 7.304 0.030 1 1110 98 98 ARG C C 176.491 0.300 1 1111 98 98 ARG CA C 55.865 0.300 1 1112 98 98 ARG CB C 31.383 0.300 1 1113 98 98 ARG CG C 27.457 0.300 1 1114 98 98 ARG CD C 43.305 0.300 1 1115 98 98 ARG N N 117.177 0.300 1 1116 98 98 ARG NE N 113.665 0.300 1 1117 99 99 LEU H H 8.231 0.030 1 1118 99 99 LEU HA H 4.198 0.030 1 1119 99 99 LEU HB2 H 1.459 0.030 1 1120 99 99 LEU HB3 H 1.459 0.030 1 1121 99 99 LEU HG H 1.420 0.030 1 1122 99 99 LEU HD1 H 0.815 0.030 1 1123 99 99 LEU HD2 H 0.844 0.030 1 1124 99 99 LEU C C 178.004 0.300 1 1125 99 99 LEU CA C 55.768 0.300 1 1126 99 99 LEU CB C 42.267 0.300 1 1127 99 99 LEU CG C 27.237 0.300 1 1128 99 99 LEU CD1 C 25.274 0.300 2 1129 99 99 LEU CD2 C 23.660 0.300 2 1130 99 99 LEU N N 122.048 0.300 1 1131 100 100 GLY H H 8.690 0.030 1 1132 100 100 GLY HA2 H 3.819 0.030 2 1133 100 100 GLY HA3 H 3.993 0.030 2 1134 100 100 GLY C C 174.167 0.300 1 1135 100 100 GLY CA C 45.337 0.300 1 1136 100 100 GLY N N 110.720 0.300 1 1137 101 101 GLU H H 7.922 0.030 1 1138 101 101 GLU HA H 4.234 0.030 1 1139 101 101 GLU HB2 H 1.909 0.030 2 1140 101 101 GLU HB3 H 2.019 0.030 2 1141 101 101 GLU HG2 H 2.218 0.030 1 1142 101 101 GLU HG3 H 2.218 0.030 1 1143 101 101 GLU C C 176.421 0.300 1 1144 101 101 GLU CA C 56.486 0.300 1 1145 101 101 GLU CB C 30.632 0.300 1 1146 101 101 GLU CG C 36.223 0.300 1 1147 101 101 GLU N N 120.348 0.300 1 1148 102 102 GLU H H 8.594 0.030 1 1149 102 102 GLU HA H 4.290 0.030 1 1150 102 102 GLU HB2 H 1.913 0.030 2 1151 102 102 GLU HB3 H 2.019 0.030 2 1152 102 102 GLU HG2 H 2.254 0.030 1 1153 102 102 GLU HG3 H 2.254 0.030 1 1154 102 102 GLU C C 176.213 0.300 1 1155 102 102 GLU CA C 56.471 0.300 1 1156 102 102 GLU CB C 30.378 0.300 1 1157 102 102 GLU CG C 36.223 0.300 1 1158 102 102 GLU N N 122.387 0.300 1 1159 103 103 SER H H 8.398 0.030 1 1160 103 103 SER HA H 4.723 0.030 1 1161 103 103 SER HB2 H 3.853 0.030 1 1162 103 103 SER HB3 H 3.853 0.030 1 1163 103 103 SER C C 173.176 0.300 1 1164 103 103 SER CA C 56.441 0.300 1 1165 103 103 SER CB C 63.478 0.300 1 1166 103 103 SER N N 118.309 0.300 1 1167 104 104 PRO HA H 4.449 0.030 1 1168 104 104 PRO HB2 H 1.927 0.030 2 1169 104 104 PRO HB3 H 2.311 0.030 2 1170 104 104 PRO HG2 H 2.020 0.030 2 1171 104 104 PRO HD2 H 3.808 0.030 1 1172 104 104 PRO HD3 H 3.808 0.030 1 1173 104 104 PRO C C 177.177 0.300 1 1174 104 104 PRO CA C 63.726 0.300 1 1175 104 104 PRO CB C 32.013 0.300 1 1176 104 104 PRO CG C 27.404 0.300 1 1177 104 104 PRO CD C 50.865 0.300 1 1178 105 105 SER H H 8.295 0.030 1 1179 105 105 SER HA H 4.374 0.030 1 1180 105 105 SER HB2 H 3.859 0.030 1 1181 105 105 SER HB3 H 3.859 0.030 1 1182 105 105 SER C C 174.931 0.300 1 1183 105 105 SER CA C 58.612 0.300 1 1184 105 105 SER CB C 63.549 0.300 1 1185 105 105 SER N N 115.170 0.300 1 1186 106 106 LEU H H 8.133 0.030 1 1187 106 106 LEU HA H 4.293 0.030 1 1188 106 106 LEU HB2 H 1.599 0.030 2 1189 106 106 LEU HB3 H 1.652 0.030 2 1190 106 106 LEU HG H 1.607 0.030 1 1191 106 106 LEU HD1 H 0.914 0.030 1 1192 106 106 LEU HD2 H 0.853 0.030 1 1193 106 106 LEU C C 177.255 0.300 1 1194 106 106 LEU CA C 55.701 0.300 1 1195 106 106 LEU CB C 42.219 0.300 1 1196 106 106 LEU CG C 26.988 0.300 1 1197 106 106 LEU CD1 C 24.908 0.300 2 1198 106 106 LEU CD2 C 23.494 0.300 2 1199 106 106 LEU N N 123.747 0.300 1 1200 107 107 ASN H H 8.283 0.030 1 1201 107 107 ASN HA H 4.631 0.030 1 1202 107 107 ASN HB2 H 2.737 0.030 2 1203 107 107 ASN HB3 H 2.822 0.030 2 1204 107 107 ASN HD21 H 7.606 0.030 2 1205 107 107 ASN HD22 H 6.933 0.030 2 1206 107 107 ASN C C 175.245 0.300 1 1207 107 107 ASN CA C 53.510 0.300 1 1208 107 107 ASN CB C 38.715 0.300 1 1209 107 107 ASN N N 118.632 0.300 1 1210 107 107 ASN ND2 N 112.817 0.300 1 1211 108 108 LYS H H 8.165 0.030 1 1212 108 108 LYS HA H 4.262 0.030 1 1213 108 108 LYS HB2 H 1.739 0.030 2 1214 108 108 LYS HB3 H 1.845 0.030 2 1215 108 108 LYS HG2 H 1.398 0.030 2 1216 108 108 LYS HG3 H 1.443 0.030 2 1217 108 108 LYS HD2 H 1.673 0.030 1 1218 108 108 LYS HD3 H 1.673 0.030 1 1219 108 108 LYS HE2 H 3.000 0.030 1 1220 108 108 LYS HE3 H 3.000 0.030 1 1221 108 108 LYS C C 176.565 0.300 1 1222 108 108 LYS CA C 56.599 0.300 1 1223 108 108 LYS CB C 32.853 0.300 1 1224 108 108 LYS CG C 24.741 0.300 1 1225 108 108 LYS CD C 29.068 0.300 1 1226 108 108 LYS CE C 42.130 0.300 1 1227 108 108 LYS N N 121.481 0.300 1 1228 109 109 ARG H H 8.221 0.030 1 1229 109 109 ARG HA H 4.278 0.030 1 1230 109 109 ARG HB2 H 1.832 0.030 2 1231 109 109 ARG HB3 H 1.768 0.030 2 1232 109 109 ARG HG2 H 1.651 0.030 1 1233 109 109 ARG HG3 H 1.651 0.030 1 1234 109 109 ARG HD2 H 3.187 0.030 1 1235 109 109 ARG HD3 H 3.187 0.030 1 1236 109 109 ARG C C 176.360 0.300 1 1237 109 109 ARG CA C 56.310 0.300 1 1238 109 109 ARG CB C 30.773 0.300 1 1239 109 109 ARG CG C 27.154 0.300 1 1240 109 109 ARG CD C 43.461 0.300 1 1241 109 109 ARG N N 121.708 0.300 1 1242 110 110 LYS H H 8.318 0.030 1 1243 110 110 LYS HA H 4.259 0.030 1 1244 110 110 LYS HB2 H 1.811 0.030 2 1245 110 110 LYS HB3 H 1.750 0.030 2 1246 110 110 LYS HG2 H 1.402 0.030 2 1247 110 110 LYS HD2 H 1.676 0.030 2 1248 110 110 LYS HE2 H 2.989 0.030 2 1249 110 110 LYS C C 176.446 0.300 1 1250 110 110 LYS CA C 56.505 0.300 1 1251 110 110 LYS CB C 33.068 0.300 1 1252 110 110 LYS CG C 24.825 0.300 1 1253 110 110 LYS CD C 29.151 0.300 1 1254 110 110 LYS CE C 42.130 0.300 1 1255 110 110 LYS N N 123.067 0.300 1 1256 111 111 ARG H H 8.374 0.030 1 1257 111 111 ARG HA H 4.290 0.030 1 1258 111 111 ARG HB2 H 1.837 0.030 2 1259 111 111 ARG HB3 H 1.762 0.030 2 1260 111 111 ARG HG2 H 1.633 0.030 2 1261 111 111 ARG HD2 H 3.200 0.030 2 1262 111 111 ARG C C 176.169 0.300 1 1263 111 111 ARG CA C 56.281 0.300 1 1264 111 111 ARG CB C 30.851 0.300 1 1265 111 111 ARG CG C 27.154 0.300 1 1266 111 111 ARG CD C 43.378 0.300 1 1267 111 111 ARG N N 122.841 0.300 1 1268 112 112 GLU H H 8.488 0.030 1 1269 112 112 GLU HA H 4.266 0.030 1 1270 112 112 GLU HB2 H 1.903 0.030 2 1271 112 112 GLU HB3 H 2.035 0.030 2 1272 112 112 GLU HG2 H 2.246 0.030 1 1273 112 112 GLU HG3 H 2.246 0.030 1 1274 112 112 GLU C C 175.690 0.300 1 1275 112 112 GLU CA C 56.371 0.300 1 1276 112 112 GLU CB C 30.365 0.300 1 1277 112 112 GLU CG C 36.223 0.300 1 1278 112 112 GLU N N 122.387 0.300 1 1279 113 113 ALA H H 8.277 0.030 1 1280 113 113 ALA HA H 4.595 0.030 1 1281 113 113 ALA HB H 1.358 0.030 1 1282 113 113 ALA C C 175.444 0.300 1 1283 113 113 ALA CA C 50.522 0.300 1 1284 113 113 ALA CB C 18.547 0.300 1 1285 113 113 ALA N N 125.786 0.300 1 1286 114 114 PRO HA H 4.417 0.030 1 1287 114 114 PRO HB2 H 1.927 0.030 2 1288 114 114 PRO HB3 H 2.287 0.030 2 1289 114 114 PRO HG2 H 2.002 0.030 2 1290 114 114 PRO HD2 H 3.692 0.030 2 1291 114 114 PRO HD3 H 4.604 0.030 2 1292 114 114 PRO C C 176.732 0.300 1 1293 114 114 PRO CA C 63.274 0.300 1 1294 114 114 PRO CB C 32.025 0.300 1 1295 114 114 PRO CG C 27.321 0.300 1 1296 114 114 PRO CD C 50.449 0.300 1 1297 115 115 ASP H H 8.379 0.030 1 1298 115 115 ASP HA H 4.514 0.030 1 1299 115 115 ASP HB2 H 2.606 0.030 2 1300 115 115 ASP HB3 H 2.666 0.030 2 1301 115 115 ASP C C 176.050 0.300 1 1302 115 115 ASP CA C 54.486 0.300 1 1303 115 115 ASP CB C 40.942 0.300 1 1304 115 115 ASP N N 119.442 0.300 1 1305 116 116 GLN H H 8.153 0.030 1 1306 116 116 GLN HA H 4.290 0.030 1 1307 116 116 GLN HB2 H 1.939 0.030 2 1308 116 116 GLN HB3 H 2.083 0.030 2 1309 116 116 GLN HG2 H 2.313 0.030 1 1310 116 116 GLN HG3 H 2.313 0.030 1 1311 116 116 GLN C C 175.346 0.300 1 1312 116 116 GLN CA C 55.438 0.300 1 1313 116 116 GLN CB C 29.798 0.300 1 1314 116 116 GLN CG C 33.727 0.300 1 1315 116 116 GLN N N 119.669 0.300 1 1316 117 117 ASP H H 8.422 0.030 1 1317 117 117 ASP HA H 4.820 0.030 1 1318 117 117 ASP HB2 H 2.547 0.030 2 1319 117 117 ASP HB3 H 2.721 0.030 2 1320 117 117 ASP C C 174.949 0.300 1 1321 117 117 ASP CA C 52.374 0.300 1 1322 117 117 ASP CB C 41.352 0.300 1 1323 117 117 ASP N N 123.294 0.300 1 1324 118 118 PRO HA H 4.422 0.030 1 1325 118 118 PRO HB2 H 1.987 0.030 2 1326 118 118 PRO HB3 H 2.275 0.030 2 1327 118 118 PRO HG2 H 2.025 0.030 1 1328 118 118 PRO HG3 H 2.025 0.030 1 1329 118 118 PRO HD2 H 3.839 0.030 1 1330 118 118 PRO HD3 H 3.839 0.030 1 1331 118 118 PRO C C 177.657 0.300 1 1332 118 118 PRO CA C 63.926 0.300 1 1333 118 118 PRO CB C 31.985 0.300 1 1334 118 118 PRO CG C 27.071 0.300 1 1335 118 118 PRO CD C 50.782 0.300 1 1336 119 119 GLY H H 8.558 0.030 1 1337 119 119 GLY HA2 H 3.968 0.030 1 1338 119 119 GLY HA3 H 3.968 0.030 1 1339 119 119 GLY C C 174.481 0.300 1 1340 119 119 GLY CA C 45.226 0.300 1 1341 119 119 GLY N N 108.853 0.300 1 1342 120 120 GLY H H 7.992 0.030 1 1343 120 120 GLY HA2 H 3.923 0.030 2 1344 120 120 GLY HA3 H 4.103 0.030 2 1345 120 120 GLY C C 171.834 0.300 1 1346 120 120 GLY CA C 44.569 0.300 1 1347 120 120 GLY N N 108.794 0.300 1 1348 121 121 PRO HA H 4.434 0.030 1 1349 121 121 PRO HB2 H 1.915 0.030 2 1350 121 121 PRO HB3 H 2.275 0.030 2 1351 121 121 PRO HG2 H 2.008 0.030 1 1352 121 121 PRO HG3 H 2.008 0.030 1 1353 121 121 PRO HD2 H 3.628 0.030 1 1354 121 121 PRO HD3 H 3.628 0.030 1 1355 121 121 PRO C C 177.336 0.300 1 1356 121 121 PRO CA C 63.254 0.300 1 1357 121 121 PRO CB C 32.102 0.300 1 1358 121 121 PRO CG C 27.237 0.300 1 1359 121 121 PRO CD C 49.784 0.300 1 1360 122 122 ARG H H 8.544 0.030 1 1361 122 122 ARG HA H 4.392 0.030 1 1362 122 122 ARG HB2 H 1.768 0.030 1 1363 122 122 ARG HB3 H 1.768 0.030 1 1364 122 122 ARG HG2 H 1.647 0.030 1 1365 122 122 ARG HG3 H 1.647 0.030 1 1366 122 122 ARG C C 176.388 0.300 1 1367 122 122 ARG CA C 55.819 0.300 1 1368 122 122 ARG CB C 30.782 0.300 1 1369 122 122 ARG CG C 27.071 0.300 1 1370 122 122 ARG N N 121.481 0.300 1 1371 123 123 SER H H 8.304 0.030 1 1372 123 123 SER HA H 4.379 0.030 1 1373 123 123 SER HB2 H 3.859 0.030 1 1374 123 123 SER HB3 H 3.859 0.030 1 1375 123 123 SER C C 174.502 0.300 1 1376 123 123 SER CA C 58.247 0.300 1 1377 123 123 SER CB C 64.137 0.300 1 1378 123 123 SER N N 116.950 0.300 1 1379 124 124 GLY H H 8.268 0.030 1 1380 124 124 GLY HA2 H 4.118 0.030 2 1381 124 124 GLY HA3 H 4.478 0.030 2 1382 124 124 GLY C C 171.762 0.300 1 1383 124 124 GLY CA C 44.681 0.300 1 1384 124 124 GLY N N 110.606 0.300 1 1385 125 125 PRO HA H 4.470 0.030 1 1386 125 125 PRO HB2 H 1.975 0.030 2 1387 125 125 PRO HB3 H 2.287 0.030 2 1388 125 125 PRO C C 177.406 0.300 1 1389 125 125 PRO CA C 63.261 0.300 1 1390 125 125 PRO CB C 32.209 0.300 1 1391 125 125 PRO CG C 27.154 0.300 1 1392 125 125 PRO CD C 49.784 0.300 1 1393 126 126 SER H H 8.530 0.030 1 1394 126 126 SER HA H 4.494 0.030 1 1395 126 126 SER HB2 H 3.895 0.030 1 1396 126 126 SER HB3 H 3.895 0.030 1 1397 126 126 SER C C 174.736 0.300 1 1398 126 126 SER CA C 58.431 0.300 1 1399 126 126 SER CB C 63.835 0.300 1 1400 126 126 SER N N 116.250 0.300 1 1401 127 127 SER H H 8.311 0.030 1 1402 127 127 SER HA H 4.482 0.030 1 1403 127 127 SER HB2 H 3.883 0.030 1 1404 127 127 SER HB3 H 3.883 0.030 1 1405 127 127 SER C C 173.828 0.300 1 1406 127 127 SER CA C 58.431 0.300 1 1407 127 127 SER CB C 64.074 0.300 1 1408 127 127 SER N N 117.630 0.300 1 1409 128 128 GLY H H 8.039 0.030 1 1410 128 128 GLY C C 178.966 0.300 1 1411 128 128 GLY CA C 46.232 0.300 1 1412 128 128 GLY N N 116.723 0.300 1 stop_ save_