data_17635 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of FUS/TLS RRM domain ; _BMRB_accession_number 17635 _BMRB_flat_file_name bmr17635.str _Entry_type original _Submission_date 2011-05-10 _Accession_date 2011-05-10 _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 Liu Xuehui . . 2 Ren Jintao . . 3 Niu Chunyan . . 4 Gong Weimin . . 5 Feng Wei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 568 "13C chemical shifts" 446 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-04 original author . stop_ _Original_release_date 2012-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'TLS-RRM is a promiscuous nucleic acid binding domain' _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 Liu Xuehui . . 2 Ren Jintao . . 3 Niu Chunyan . . 4 Feng Wei . . 5 Gong Weimin . . 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 'FUS/TLS RRM domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FUS/TLS RRM domain' $FUS_TLS_RRM_domain 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_FUS_TLS_RRM_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'FUS/TLS RRM domain' _Molecular_mass 11747.013 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; EQDNSDNNTIFVQGLGENVT IESVADYFKQIGIIKTNKKT GQPMINLYTDRETGKLKGEA TVSFDDPPSAKAAIDWFDGK EFSGNPIKVSFATRRADFNR GGGNGRGG ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLN 3 ASP 4 ASN 5 SER 6 ASP 7 ASN 8 ASN 9 THR 10 ILE 11 PHE 12 VAL 13 GLN 14 GLY 15 LEU 16 GLY 17 GLU 18 ASN 19 VAL 20 THR 21 ILE 22 GLU 23 SER 24 VAL 25 ALA 26 ASP 27 TYR 28 PHE 29 LYS 30 GLN 31 ILE 32 GLY 33 ILE 34 ILE 35 LYS 36 THR 37 ASN 38 LYS 39 LYS 40 THR 41 GLY 42 GLN 43 PRO 44 MET 45 ILE 46 ASN 47 LEU 48 TYR 49 THR 50 ASP 51 ARG 52 GLU 53 THR 54 GLY 55 LYS 56 LEU 57 LYS 58 GLY 59 GLU 60 ALA 61 THR 62 VAL 63 SER 64 PHE 65 ASP 66 ASP 67 PRO 68 PRO 69 SER 70 ALA 71 LYS 72 ALA 73 ALA 74 ILE 75 ASP 76 TRP 77 PHE 78 ASP 79 GLY 80 LYS 81 GLU 82 PHE 83 SER 84 GLY 85 ASN 86 PRO 87 ILE 88 LYS 89 VAL 90 SER 91 PHE 92 ALA 93 THR 94 ARG 95 ARG 96 ALA 97 ASP 98 PHE 99 ASN 100 ARG 101 GLY 102 GLY 103 GLY 104 ASN 105 GLY 106 ARG 107 GLY 108 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 2LCW "Solution Structure Of FusTLS RRM DOMAIN" 100.00 116 100.00 100.00 1.42e-71 DBJ BAD92139 "fusion (involved in t(12;16) in malignant liposarcoma) isoform a variant [Homo sapiens]" 100.00 300 100.00 100.00 6.08e-68 DBJ BAE24196 "unnamed protein product [Mus musculus]" 100.00 518 100.00 100.00 1.69e-69 DBJ BAE26524 "unnamed protein product [Mus musculus]" 100.00 518 100.00 100.00 2.02e-69 DBJ BAE26972 "unnamed protein product [Mus musculus]" 100.00 518 99.07 99.07 1.90e-68 DBJ BAE87186 "unnamed protein product [Macaca fascicularis]" 100.00 533 100.00 100.00 1.69e-69 EMBL CAA50559 "FUS gycline rich protein [Homo sapiens]" 100.00 525 100.00 100.00 1.82e-69 EMBL CAG33028 "FUS [Homo sapiens]" 100.00 526 100.00 100.00 2.07e-69 EMBL CAJ83479 "fusion (involved in t(12;16) in malignant liposarcoma) [Xenopus (Silurana) tropicalis]" 100.00 539 98.15 99.07 6.70e-67 GB AAA79948 "fus-like protein, partial [Homo sapiens]" 100.00 528 100.00 100.00 1.80e-69 GB AAB27102 "TLS [Homo sapiens]" 100.00 526 100.00 100.00 2.07e-69 GB AAC13543 "pigpen [Bos taurus]" 100.00 512 100.00 100.00 2.69e-69 GB AAC35284 "FUS/TLS protein [Homo sapiens]" 100.00 525 100.00 100.00 1.82e-69 GB AAC35285 "FUS/TLS protein [Homo sapiens]" 100.00 526 100.00 100.00 2.07e-69 PRF 1916411B "TLS protein" 100.00 260 100.00 100.00 3.39e-69 REF NP_001001531 "RNA-binding protein FUS [Gallus gallus]" 100.00 504 99.07 99.07 4.08e-68 REF NP_001012137 "RNA-binding protein FUS [Rattus norvegicus]" 100.00 518 100.00 100.00 2.02e-69 REF NP_001080383 "FUS RNA binding protein [Xenopus laevis]" 100.00 536 97.22 98.15 9.56e-66 REF NP_001086293 "MGC84691 protein [Xenopus laevis]" 100.00 536 97.22 98.15 9.56e-66 REF NP_001090836 "RNA-binding protein FUS [Xenopus (Silurana) tropicalis]" 100.00 539 98.15 99.07 6.70e-67 SP P35637 "RecName: Full=RNA-binding protein FUS; AltName: Full=75 kDa DNA-pairing protein; AltName: Full=Oncogene FUS; AltName: Full=Onco" 100.00 526 100.00 100.00 2.07e-69 SP P56959 "RecName: Full=RNA-binding protein FUS; AltName: Full=Protein pigpen" 100.00 518 100.00 100.00 2.02e-69 SP Q28009 "RecName: Full=RNA-binding protein FUS; AltName: Full=Protein pigpen" 100.00 513 100.00 100.00 2.52e-69 TPG DAA15352 "TPA: RNA-binding protein FUS [Bos taurus]" 100.00 512 100.00 100.00 2.69e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FUS_TLS_RRM_domain Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FUS_TLS_RRM_domain 'recombinant technology' . Escherichia coli . pET-22b 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 DSS 0.5 mM 'natural abundance' Tris 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' H2O 10 % 'natural abundance' D2O 90 % '[U-100% 2H]' NaN3 0.02 % 'natural abundance' $FUS_TLS_RRM_domain 1 mM '[U-100% 15N; U-100% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FUS/TLS RRM 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 1 1 GLU HA H 4.352 0.004 1 2 1 1 GLU HB2 H 2.075 0.003 2 3 1 1 GLU HB3 H 1.935 0.005 2 4 1 1 GLU HG2 H 2.298 0.004 2 5 1 1 GLU C C 174.257 0.000 1 6 1 1 GLU CA C 56.516 0.037 1 7 1 1 GLU CB C 30.392 0.049 1 8 1 1 GLU CG C 36.159 0.020 1 9 2 2 GLN H H 8.621 0.008 1 10 2 2 GLN HA H 4.266 0.007 1 11 2 2 GLN HB2 H 2.049 0.009 2 12 2 2 GLN HB3 H 1.970 0.003 2 13 2 2 GLN HG2 H 2.311 0.011 2 14 2 2 GLN HE21 H 7.671 0.006 2 15 2 2 GLN HE22 H 6.888 0.003 2 16 2 2 GLN C C 175.248 0.000 1 17 2 2 GLN CA C 55.996 0.069 1 18 2 2 GLN CB C 29.639 0.046 1 19 2 2 GLN CG C 33.799 0.058 1 20 2 2 GLN CD C 182.095 0.000 1 21 2 2 GLN N N 121.692 0.069 1 22 2 2 GLN NE2 N 112.707 0.235 1 23 3 3 ASP H H 8.436 0.004 1 24 3 3 ASP HA H 4.568 0.005 1 25 3 3 ASP HB2 H 2.706 0.002 2 26 3 3 ASP C C 174.336 0.000 1 27 3 3 ASP CA C 54.062 0.028 1 28 3 3 ASP CB C 41.071 0.021 1 29 3 3 ASP N N 121.801 0.032 1 30 4 4 ASN H H 8.528 0.004 1 31 4 4 ASN HA H 4.637 0.012 1 32 4 4 ASN HB2 H 2.202 0.006 2 33 4 4 ASN HB3 H 1.933 0.006 2 34 4 4 ASN HD21 H 7.594 0.003 2 35 4 4 ASN HD22 H 6.995 0.003 2 36 4 4 ASN C C 174.415 0.000 1 37 4 4 ASN CA C 53.861 0.064 1 38 4 4 ASN CB C 38.534 0.039 1 39 4 4 ASN CG C 173.005 0.012 1 40 4 4 ASN N N 120.292 0.065 1 41 4 4 ASN ND2 N 115.469 0.251 1 42 5 5 SER H H 8.470 0.005 1 43 5 5 SER HA H 4.163 0.006 1 44 5 5 SER HB2 H 4.167 0.005 2 45 5 5 SER HB3 H 3.897 0.005 2 46 5 5 SER C C 176.370 0.001 1 47 5 5 SER CA C 60.846 0.039 1 48 5 5 SER CB C 63.136 0.019 1 49 5 5 SER N N 117.091 0.039 1 50 6 6 ASP H H 8.218 0.005 1 51 6 6 ASP HA H 4.695 0.009 1 52 6 6 ASP HB2 H 2.749 0.004 2 53 6 6 ASP HB3 H 2.627 0.001 2 54 6 6 ASP C C 175.048 0.000 1 55 6 6 ASP CA C 53.094 0.020 1 56 6 6 ASP CB C 40.935 0.021 1 57 6 6 ASP N N 119.436 0.038 1 58 7 7 ASN H H 7.734 0.006 1 59 7 7 ASN HA H 4.628 0.009 1 60 7 7 ASN HB2 H 2.995 0.007 2 61 7 7 ASN HB3 H 2.502 0.006 2 62 7 7 ASN HD21 H 7.434 0.005 2 63 7 7 ASN HD22 H 7.100 0.008 2 64 7 7 ASN C C 176.539 0.000 1 65 7 7 ASN CA C 53.158 0.024 1 66 7 7 ASN CB C 38.859 0.069 1 67 7 7 ASN CG C 173.792 0.021 1 68 7 7 ASN N N 119.696 0.043 1 69 7 7 ASN ND2 N 109.876 0.253 1 70 8 8 ASN H H 8.350 0.005 1 71 8 8 ASN HA H 4.868 0.008 1 72 8 8 ASN HB2 H 3.541 0.007 2 73 8 8 ASN HB3 H 2.450 0.008 2 74 8 8 ASN HD21 H 8.016 0.006 2 75 8 8 ASN HD22 H 7.299 0.003 2 76 8 8 ASN C C 175.327 0.000 1 77 8 8 ASN CA C 53.204 0.002 1 78 8 8 ASN CB C 38.495 0.025 1 79 8 8 ASN N N 119.436 0.060 1 80 8 8 ASN ND2 N 113.442 0.047 1 81 9 9 THR H H 8.428 0.006 1 82 9 9 THR HA H 5.557 0.010 1 83 9 9 THR HB H 4.119 0.003 1 84 9 9 THR HG2 H 1.157 0.006 1 85 9 9 THR C C 177.117 0.000 1 86 9 9 THR CA C 62.314 0.045 1 87 9 9 THR CB C 71.225 0.049 1 88 9 9 THR CG2 C 21.208 0.084 1 89 9 9 THR N N 118.650 0.043 1 90 10 10 ILE H H 8.770 0.005 1 91 10 10 ILE HA H 5.165 0.010 1 92 10 10 ILE HB H 1.844 0.004 1 93 10 10 ILE HG12 H 1.289 0.011 2 94 10 10 ILE HG13 H 1.188 0.011 2 95 10 10 ILE HG2 H 0.822 0.007 1 96 10 10 ILE HD1 H 0.249 0.006 1 97 10 10 ILE C C 176.837 0.000 1 98 10 10 ILE CA C 59.298 0.066 1 99 10 10 ILE CB C 39.880 0.065 1 100 10 10 ILE CG1 C 26.332 0.022 1 101 10 10 ILE CG2 C 19.066 0.044 1 102 10 10 ILE CD1 C 13.885 0.046 1 103 10 10 ILE N N 118.556 0.041 1 104 11 11 PHE H H 9.548 0.004 1 105 11 11 PHE HA H 5.420 0.005 1 106 11 11 PHE HB2 H 2.825 0.013 2 107 11 11 PHE HB3 H 2.689 0.010 2 108 11 11 PHE HD1 H 7.114 0.009 3 109 11 11 PHE C C 177.066 0.000 1 110 11 11 PHE CA C 55.362 0.077 1 111 11 11 PHE CB C 41.868 0.033 1 112 11 11 PHE CD1 C 131.670 0.222 3 113 11 11 PHE N N 123.798 0.040 1 114 12 12 VAL H H 8.940 0.004 1 115 12 12 VAL HA H 4.958 0.003 1 116 12 12 VAL HB H 1.641 0.007 1 117 12 12 VAL HG1 H 0.863 0.013 2 118 12 12 VAL HG2 H 0.683 0.008 2 119 12 12 VAL C C 176.965 0.002 1 120 12 12 VAL CA C 59.835 0.023 1 121 12 12 VAL CB C 34.800 0.040 1 122 12 12 VAL CG1 C 22.228 0.169 2 123 12 12 VAL CG2 C 21.742 0.008 2 124 12 12 VAL N N 127.993 0.036 1 125 13 13 GLN H H 8.747 0.006 1 126 13 13 GLN HA H 4.779 0.006 1 127 13 13 GLN HB2 H 2.124 0.008 2 128 13 13 GLN HB3 H 1.762 0.014 2 129 13 13 GLN HG2 H 2.002 0.005 2 130 13 13 GLN HG3 H 1.644 0.007 2 131 13 13 GLN HE21 H 7.958 0.002 2 132 13 13 GLN HE22 H 7.011 0.012 2 133 13 13 GLN C C 175.631 0.000 1 134 13 13 GLN CA C 54.110 0.033 1 135 13 13 GLN CB C 34.132 0.051 1 136 13 13 GLN CG C 35.472 0.054 1 137 13 13 GLN CD C 181.893 0.000 1 138 13 13 GLN N N 122.289 0.039 1 139 13 13 GLN NE2 N 113.450 0.215 1 140 14 14 GLY H H 8.236 0.004 1 141 14 14 GLY HA2 H 4.536 0.003 2 142 14 14 GLY HA3 H 3.742 0.007 2 143 14 14 GLY C C 175.436 0.000 1 144 14 14 GLY CA C 45.430 0.039 1 145 14 14 GLY N N 109.212 0.055 1 146 15 15 LEU H H 8.442 0.007 1 147 15 15 LEU HA H 3.706 0.005 1 148 15 15 LEU HB2 H 1.157 0.010 2 149 15 15 LEU HB3 H 1.174 0.001 2 150 15 15 LEU HG H 1.116 0.009 1 151 15 15 LEU HD1 H -0.157 0.003 2 152 15 15 LEU HD2 H 0.294 0.006 2 153 15 15 LEU C C 174.111 0.000 1 154 15 15 LEU CA C 55.718 0.078 1 155 15 15 LEU CB C 42.433 0.031 1 156 15 15 LEU CG C 26.412 0.026 1 157 15 15 LEU CD1 C 21.734 0.035 2 158 15 15 LEU CD2 C 26.404 0.035 2 159 15 15 LEU N N 117.824 0.043 1 160 16 16 GLY H H 8.006 0.006 1 161 16 16 GLY HA2 H 4.095 0.011 2 162 16 16 GLY HA3 H 3.791 0.006 2 163 16 16 GLY C C 177.771 0.000 1 164 16 16 GLY CA C 44.094 0.026 1 165 16 16 GLY N N 105.063 0.065 1 166 17 17 GLU H H 8.134 0.007 1 167 17 17 GLU HA H 4.119 0.005 1 168 17 17 GLU HB2 H 2.045 0.001 2 169 17 17 GLU HB3 H 2.012 0.010 2 170 17 17 GLU HG2 H 2.287 0.001 2 171 17 17 GLU C C 173.937 0.000 1 172 17 17 GLU CA C 57.281 0.064 1 173 17 17 GLU CB C 30.436 0.088 1 174 17 17 GLU CG C 36.210 0.027 1 175 17 17 GLU N N 113.781 0.047 1 176 18 18 ASN H H 8.407 0.005 1 177 18 18 ASN HA H 4.941 0.004 1 178 18 18 ASN HB2 H 2.910 0.005 2 179 18 18 ASN HB3 H 2.733 0.006 2 180 18 18 ASN HD21 H 7.639 0.008 2 181 18 18 ASN HD22 H 6.988 0.009 2 182 18 18 ASN C C 175.900 0.000 1 183 18 18 ASN CA C 52.478 0.048 1 184 18 18 ASN CB C 38.485 0.063 1 185 18 18 ASN CG C 172.618 0.008 1 186 18 18 ASN N N 116.660 0.040 1 187 18 18 ASN ND2 N 113.323 0.261 1 188 19 19 VAL H H 6.855 0.007 1 189 19 19 VAL HA H 4.152 0.004 1 190 19 19 VAL HB H 1.997 0.004 1 191 19 19 VAL HG1 H 0.821 0.006 2 192 19 19 VAL HG2 H 0.796 0.002 2 193 19 19 VAL C C 177.655 0.000 1 194 19 19 VAL CA C 61.877 0.024 1 195 19 19 VAL CB C 32.513 0.054 1 196 19 19 VAL CG1 C 22.736 0.043 2 197 19 19 VAL CG2 C 21.302 0.059 2 198 19 19 VAL N N 118.323 0.032 1 199 20 20 THR H H 7.328 0.008 1 200 20 20 THR HA H 4.719 0.013 1 201 20 20 THR HB H 4.691 0.005 1 202 20 20 THR HG2 H 1.268 0.008 1 203 20 20 THR C C 175.266 0.000 1 204 20 20 THR CA C 58.698 0.019 1 205 20 20 THR CB C 72.948 0.024 1 206 20 20 THR CG2 C 21.783 0.030 1 207 20 20 THR N N 111.636 0.054 1 208 21 21 ILE H H 9.074 0.006 1 209 21 21 ILE HA H 3.518 0.005 1 210 21 21 ILE HB H 1.864 0.007 1 211 21 21 ILE HG12 H 1.664 0.008 2 212 21 21 ILE HG13 H 1.162 0.008 2 213 21 21 ILE HG2 H 0.933 0.004 1 214 21 21 ILE HD1 H 0.948 0.003 1 215 21 21 ILE C C 173.198 0.000 1 216 21 21 ILE CA C 65.772 0.032 1 217 21 21 ILE CB C 37.583 0.031 1 218 21 21 ILE CG1 C 28.974 0.027 1 219 21 21 ILE CG2 C 17.289 0.036 1 220 21 21 ILE CD1 C 12.950 0.017 1 221 21 21 ILE N N 122.147 0.021 1 222 22 22 GLU H H 8.814 0.006 1 223 22 22 GLU HA H 3.986 0.005 1 224 22 22 GLU HB2 H 2.083 0.007 2 225 22 22 GLU HB3 H 1.983 0.006 2 226 22 22 GLU HG2 H 2.476 0.007 2 227 22 22 GLU HG3 H 2.259 0.008 2 228 22 22 GLU C C 171.799 0.000 1 229 22 22 GLU CA C 60.613 0.038 1 230 22 22 GLU CB C 28.791 0.023 1 231 22 22 GLU CG C 37.142 0.044 1 232 22 22 GLU N N 118.154 0.032 1 233 23 23 SER H H 8.236 0.005 1 234 23 23 SER HA H 4.384 0.006 1 235 23 23 SER HB2 H 4.075 0.006 2 236 23 23 SER HB3 H 4.009 0.010 2 237 23 23 SER C C 172.447 0.000 1 238 23 23 SER CA C 61.239 0.019 1 239 23 23 SER CB C 62.838 0.027 1 240 23 23 SER N N 115.921 0.033 1 241 24 24 VAL H H 7.973 0.005 1 242 24 24 VAL HA H 3.748 0.004 1 243 24 24 VAL HB H 2.202 0.006 1 244 24 24 VAL HG1 H 0.853 0.008 2 245 24 24 VAL HG2 H 0.833 0.010 2 246 24 24 VAL C C 173.016 0.000 1 247 24 24 VAL CA C 67.254 0.022 1 248 24 24 VAL CB C 31.533 0.057 1 249 24 24 VAL CG1 C 24.328 0.104 2 250 24 24 VAL CG2 C 22.833 0.018 2 251 24 24 VAL N N 124.867 0.024 1 252 25 25 ALA H H 8.695 0.006 1 253 25 25 ALA HA H 3.899 0.008 1 254 25 25 ALA HB H 1.464 0.005 1 255 25 25 ALA HB H 1.464 0.005 1 256 25 25 ALA C C 171.061 0.000 1 257 25 25 ALA CA C 55.695 0.040 1 258 25 25 ALA CB C 17.738 0.016 1 259 25 25 ALA N N 123.198 0.043 1 260 26 26 ASP H H 8.312 0.003 1 261 26 26 ASP HA H 4.323 0.009 1 262 26 26 ASP HB2 H 2.759 0.004 2 263 26 26 ASP HB3 H 2.630 0.010 2 264 26 26 ASP C C 173.108 0.000 1 265 26 26 ASP CA C 57.323 0.000 1 266 26 26 ASP CB C 41.052 0.042 1 267 26 26 ASP N N 115.503 0.062 1 268 27 27 TYR H H 7.533 0.005 1 269 27 27 TYR HA H 4.200 0.004 1 270 27 27 TYR HB2 H 3.083 0.004 2 271 27 27 TYR HB3 H 2.805 0.009 2 272 27 27 TYR HD1 H 5.836 0.004 3 273 27 27 TYR HE1 H 6.210 0.001 3 274 27 27 TYR C C 172.908 0.000 1 275 27 27 TYR CA C 61.016 0.030 1 276 27 27 TYR CB C 39.932 0.079 1 277 27 27 TYR CD1 C 132.545 0.135 3 278 27 27 TYR CE1 C 119.161 0.116 3 279 27 27 TYR N N 119.224 0.046 1 280 28 28 PHE H H 7.974 0.006 1 281 28 28 PHE HA H 4.330 0.006 1 282 28 28 PHE HB2 H 3.419 0.005 2 283 28 28 PHE HB3 H 2.772 0.006 2 284 28 28 PHE HD1 H 7.419 0.009 3 285 28 28 PHE HE1 H 6.880 0.013 3 286 28 28 PHE HZ H 6.980 0.000 1 287 28 28 PHE C C 173.082 0.000 1 288 28 28 PHE CA C 61.784 0.046 1 289 28 28 PHE CB C 40.003 0.033 1 290 28 28 PHE CD1 C 132.251 0.083 3 291 28 28 PHE CE1 C 130.528 0.472 3 292 28 28 PHE N N 112.595 0.021 1 293 29 29 LYS H H 8.325 0.003 1 294 29 29 LYS HA H 4.917 0.006 1 295 29 29 LYS HB2 H 2.164 0.007 2 296 29 29 LYS HB3 H 2.048 0.007 2 297 29 29 LYS HG2 H 1.767 0.005 2 298 29 29 LYS HG3 H 1.267 0.006 2 299 29 29 LYS HD2 H 1.730 0.009 2 300 29 29 LYS HE2 H 3.022 0.005 2 301 29 29 LYS C C 173.682 0.000 1 302 29 29 LYS CA C 58.280 0.028 1 303 29 29 LYS CB C 31.291 0.060 1 304 29 29 LYS CG C 24.017 0.050 1 305 29 29 LYS CD C 29.955 0.072 1 306 29 29 LYS CE C 42.181 0.036 1 307 29 29 LYS N N 118.820 0.054 1 308 30 30 GLN H H 7.518 0.004 1 309 30 30 GLN HA H 4.135 0.008 1 310 30 30 GLN HB2 H 2.112 0.011 2 311 30 30 GLN HB3 H 2.028 0.011 2 312 30 30 GLN HG2 H 2.427 0.006 2 313 30 30 GLN HG3 H 2.313 0.007 2 314 30 30 GLN HE21 H 7.632 0.003 2 315 30 30 GLN HE22 H 6.793 0.003 2 316 30 30 GLN C C 173.790 0.000 1 317 30 30 GLN CA C 57.546 0.074 1 318 30 30 GLN CB C 29.898 0.055 1 319 30 30 GLN CG C 34.376 0.033 1 320 30 30 GLN CD C 182.286 0.011 1 321 30 30 GLN N N 116.232 0.043 1 322 30 30 GLN NE2 N 111.886 0.283 1 323 31 31 ILE H H 7.809 0.004 1 324 31 31 ILE HA H 4.239 0.007 1 325 31 31 ILE HB H 1.844 0.004 1 326 31 31 ILE HG12 H 1.368 0.007 2 327 31 31 ILE HG13 H 1.175 0.009 2 328 31 31 ILE HG2 H 0.862 0.005 1 329 31 31 ILE HD1 H 0.345 0.005 1 330 31 31 ILE C C 175.599 0.000 1 331 31 31 ILE CA C 58.221 0.056 1 332 31 31 ILE CB C 40.334 0.053 1 333 31 31 ILE CG1 C 29.685 0.037 1 334 31 31 ILE CG2 C 19.320 0.058 1 335 31 31 ILE CD1 C 12.038 0.029 1 336 31 31 ILE N N 116.489 0.041 1 337 32 32 GLY H H 7.344 0.003 1 338 32 32 GLY HA2 H 4.082 0.009 2 339 32 32 GLY HA3 H 3.901 0.007 2 340 32 32 GLY C C 180.182 0.000 1 341 32 32 GLY CA C 44.994 0.025 1 342 32 32 GLY N N 107.416 0.037 1 343 33 33 ILE H H 8.173 0.006 1 344 33 33 ILE HA H 4.089 0.003 1 345 33 33 ILE HB H 1.824 0.007 1 346 33 33 ILE HG12 H 1.693 0.006 2 347 33 33 ILE HG13 H 1.282 0.009 2 348 33 33 ILE HG2 H 0.885 0.005 1 349 33 33 ILE HD1 H 0.916 0.006 1 350 33 33 ILE C C 173.301 0.000 1 351 33 33 ILE CA C 61.641 0.081 1 352 33 33 ILE CB C 38.659 0.046 1 353 33 33 ILE CG1 C 28.001 0.024 1 354 33 33 ILE CG2 C 17.709 0.050 1 355 33 33 ILE CD1 C 12.292 0.017 1 356 33 33 ILE N N 117.784 0.040 1 357 34 34 ILE H H 8.687 0.008 1 358 34 34 ILE HA H 3.787 0.002 1 359 34 34 ILE HB H 1.673 0.007 1 360 34 34 ILE HG12 H 1.644 0.006 2 361 34 34 ILE HG13 H 0.522 0.008 2 362 34 34 ILE HG2 H 0.808 0.009 1 363 34 34 ILE HD1 H 0.747 0.009 1 364 34 34 ILE C C 174.663 0.000 1 365 34 34 ILE CA C 61.370 0.062 1 366 34 34 ILE CB C 37.995 0.048 1 367 34 34 ILE CG1 C 28.699 0.045 1 368 34 34 ILE CG2 C 16.628 0.044 1 369 34 34 ILE CD1 C 13.831 0.030 1 370 34 34 ILE N N 131.781 0.046 1 371 35 35 LYS H H 8.680 0.005 1 372 35 35 LYS HA H 4.084 0.004 1 373 35 35 LYS HB2 H 1.470 0.012 2 374 35 35 LYS HB3 H 1.211 0.004 2 375 35 35 LYS HG2 H 1.399 0.002 2 376 35 35 LYS HD2 H 1.627 0.006 2 377 35 35 LYS HE2 H 3.109 0.001 2 378 35 35 LYS HE3 H 3.043 0.004 2 379 35 35 LYS C C 175.376 0.000 1 380 35 35 LYS CA C 57.473 0.048 1 381 35 35 LYS CB C 33.664 0.042 1 382 35 35 LYS CG C 24.881 0.000 1 383 35 35 LYS CD C 29.774 0.025 1 384 35 35 LYS CE C 41.836 0.027 1 385 35 35 LYS N N 130.372 0.036 1 386 36 36 THR H H 8.456 0.006 1 387 36 36 THR HA H 4.415 0.006 1 388 36 36 THR HB H 3.731 0.003 1 389 36 36 THR HG2 H 0.880 0.007 1 390 36 36 THR C C 176.394 0.000 1 391 36 36 THR CA C 61.340 0.051 1 392 36 36 THR CB C 70.809 0.084 1 393 36 36 THR CG2 C 21.433 0.026 1 394 36 36 THR N N 118.312 0.032 1 395 37 37 ASN H H 8.794 0.009 1 396 37 37 ASN HA H 4.530 0.009 1 397 37 37 ASN HB2 H 3.274 0.007 2 398 37 37 ASN HB3 H 2.557 0.012 2 399 37 37 ASN HD21 H 7.653 0.004 2 400 37 37 ASN HD22 H 7.208 0.005 2 401 37 37 ASN C C 174.235 0.007 1 402 37 37 ASN CA C 53.064 0.026 1 403 37 37 ASN CB C 38.927 0.040 1 404 37 37 ASN CG C 173.207 0.020 1 405 37 37 ASN N N 124.092 0.064 1 406 37 37 ASN ND2 N 113.836 0.267 1 407 38 38 LYS H H 8.962 0.005 1 408 38 38 LYS HA H 4.004 0.008 1 409 38 38 LYS HB2 H 1.870 0.005 2 410 38 38 LYS HG2 H 1.562 0.000 2 411 38 38 LYS HG3 H 1.482 0.000 2 412 38 38 LYS HD2 H 1.686 0.003 2 413 38 38 LYS HE2 H 3.037 0.003 2 414 38 38 LYS C C 172.702 0.002 1 415 38 38 LYS CA C 58.458 0.046 1 416 38 38 LYS CB C 32.167 0.024 1 417 38 38 LYS CG C 24.941 0.000 1 418 38 38 LYS CD C 28.686 0.000 1 419 38 38 LYS CE C 42.118 0.000 1 420 38 38 LYS N N 127.969 0.056 1 421 39 39 LYS H H 8.314 0.005 1 422 39 39 LYS HA H 4.258 0.003 1 423 39 39 LYS HB2 H 1.952 0.002 2 424 39 39 LYS HG2 H 1.527 0.003 2 425 39 39 LYS HG3 H 1.412 0.009 2 426 39 39 LYS HD2 H 1.706 0.007 2 427 39 39 LYS HE2 H 3.011 0.003 2 428 39 39 LYS C C 172.261 0.000 1 429 39 39 LYS CA C 58.319 0.033 1 430 39 39 LYS CB C 32.797 0.025 1 431 39 39 LYS CG C 25.167 0.026 1 432 39 39 LYS CD C 28.903 0.000 1 433 39 39 LYS CE C 42.117 0.023 1 434 39 39 LYS N N 117.413 0.042 1 435 40 40 THR H H 7.422 0.004 1 436 40 40 THR HA H 4.465 0.006 1 437 40 40 THR HB H 4.412 0.006 1 438 40 40 THR HG2 H 1.140 0.005 1 439 40 40 THR C C 174.021 0.000 1 440 40 40 THR CA C 61.260 0.060 1 441 40 40 THR CB C 70.997 0.025 1 442 40 40 THR CG2 C 21.241 0.035 1 443 40 40 THR N N 105.547 0.036 1 444 41 41 GLY H H 8.644 0.004 1 445 41 41 GLY HA2 H 4.183 0.005 2 446 41 41 GLY HA3 H 3.686 0.006 2 447 41 41 GLY C C 176.727 0.004 1 448 41 41 GLY CA C 45.730 0.018 1 449 41 41 GLY N N 111.631 0.026 1 450 42 42 GLN H H 7.662 0.004 1 451 42 42 GLN HA H 4.669 0.007 1 452 42 42 GLN HB2 H 2.190 0.003 2 453 42 42 GLN HB3 H 1.821 0.006 2 454 42 42 GLN HG2 H 2.380 0.005 2 455 42 42 GLN HE21 H 7.593 0.005 2 456 42 42 GLN HE22 H 6.983 0.004 2 457 42 42 GLN C C 177.178 0.000 1 458 42 42 GLN CA C 53.581 0.025 1 459 42 42 GLN CB C 29.230 0.031 1 460 42 42 GLN CG C 33.392 0.039 1 461 42 42 GLN CD C 182.295 0.000 1 462 42 42 GLN N N 118.894 0.040 1 463 42 42 GLN NE2 N 113.062 0.229 1 464 43 43 PRO HA H 4.595 0.007 1 465 43 43 PRO HB2 H 2.222 0.007 2 466 43 43 PRO HB3 H 1.569 0.006 2 467 43 43 PRO HG2 H 2.009 0.010 2 468 43 43 PRO HG3 H 1.941 0.012 2 469 43 43 PRO HD2 H 3.846 0.007 2 470 43 43 PRO HD3 H 3.674 0.005 2 471 43 43 PRO C C 172.629 0.000 1 472 43 43 PRO CA C 62.822 0.045 1 473 43 43 PRO CB C 32.696 0.035 1 474 43 43 PRO CG C 27.440 0.057 1 475 43 43 PRO CD C 50.512 0.032 1 476 44 44 MET H H 8.874 0.007 1 477 44 44 MET HA H 4.432 0.004 1 478 44 44 MET HB2 H 2.026 0.006 2 479 44 44 MET HB3 H 1.672 0.010 2 480 44 44 MET HG2 H 2.384 0.007 2 481 44 44 MET HG3 H 2.287 0.007 2 482 44 44 MET HE H 2.066 0.000 1 483 44 44 MET C C 176.474 0.000 1 484 44 44 MET CA C 55.419 0.123 1 485 44 44 MET CB C 30.555 0.040 1 486 44 44 MET CG C 32.736 0.036 1 487 44 44 MET CE C 17.045 0.000 1 488 44 44 MET N N 124.162 0.044 1 489 45 45 ILE H H 7.730 0.005 1 490 45 45 ILE HA H 4.802 0.008 1 491 45 45 ILE HB H 1.460 0.005 1 492 45 45 ILE HG12 H 1.437 0.003 2 493 45 45 ILE HG13 H 1.013 0.008 2 494 45 45 ILE HG2 H 0.726 0.007 1 495 45 45 ILE HD1 H 0.876 0.005 1 496 45 45 ILE C C 176.415 0.000 1 497 45 45 ILE CA C 59.216 0.052 1 498 45 45 ILE CB C 42.226 0.034 1 499 45 45 ILE CG1 C 27.923 0.033 1 500 45 45 ILE CG2 C 16.571 0.030 1 501 45 45 ILE CD1 C 14.377 0.039 1 502 45 45 ILE N N 126.237 0.053 1 503 46 46 ASN H H 8.384 0.007 1 504 46 46 ASN HA H 4.941 0.003 1 505 46 46 ASN HB2 H 2.564 0.003 2 506 46 46 ASN HD21 H 6.964 0.004 2 507 46 46 ASN HD22 H 6.654 0.003 2 508 46 46 ASN C C 176.836 0.000 1 509 46 46 ASN CA C 51.561 0.020 1 510 46 46 ASN CB C 40.470 0.036 1 511 46 46 ASN CG C 173.942 0.009 1 512 46 46 ASN N N 124.735 0.046 1 513 46 46 ASN ND2 N 111.542 0.264 1 514 47 47 LEU H H 8.594 0.004 1 515 47 47 LEU HA H 4.715 0.005 1 516 47 47 LEU HB2 H 1.702 0.005 2 517 47 47 LEU HB3 H 1.397 0.009 2 518 47 47 LEU HG H 1.500 0.008 1 519 47 47 LEU HD1 H 0.768 0.009 2 520 47 47 LEU HD2 H 0.619 0.008 2 521 47 47 LEU C C 174.190 0.000 1 522 47 47 LEU CA C 53.332 0.032 1 523 47 47 LEU CB C 42.277 0.026 1 524 47 47 LEU CG C 26.779 0.074 1 525 47 47 LEU CD1 C 25.846 0.039 2 526 47 47 LEU CD2 C 23.808 0.026 2 527 47 47 LEU N N 122.487 0.037 1 528 48 48 TYR H H 7.666 0.010 1 529 48 48 TYR HA H 4.767 0.008 1 530 48 48 TYR HB2 H 3.169 0.006 2 531 48 48 TYR HB3 H 2.814 0.005 2 532 48 48 TYR HD1 H 7.165 0.004 3 533 48 48 TYR HE1 H 6.848 0.005 3 534 48 48 TYR C C 173.649 0.000 1 535 48 48 TYR CA C 57.894 0.069 1 536 48 48 TYR CB C 39.199 0.072 1 537 48 48 TYR CD1 C 132.507 0.109 3 538 48 48 TYR CE1 C 118.217 0.115 3 539 48 48 TYR N N 121.842 0.027 1 540 49 49 THR H H 8.965 0.011 1 541 49 49 THR HA H 4.806 0.005 1 542 49 49 THR HB H 3.856 0.006 1 543 49 49 THR HG2 H 1.040 0.006 1 544 49 49 THR C C 176.654 0.001 1 545 49 49 THR CA C 60.693 0.040 1 546 49 49 THR CB C 71.437 0.062 1 547 49 49 THR CG2 C 21.868 0.033 1 548 49 49 THR N N 116.554 0.050 1 549 50 50 ASP H H 8.939 0.004 1 550 50 50 ASP HA H 4.624 0.009 1 551 50 50 ASP HB2 H 3.057 0.008 2 552 50 50 ASP HB3 H 2.458 0.007 2 553 50 50 ASP C C 173.380 0.005 1 554 50 50 ASP CA C 54.088 0.025 1 555 50 50 ASP CB C 42.867 0.074 1 556 50 50 ASP N N 123.826 0.038 1 557 51 51 ARG H H 8.958 0.006 1 558 51 51 ARG HA H 4.045 0.007 1 559 51 51 ARG HB2 H 1.894 0.002 2 560 51 51 ARG HG2 H 1.678 0.003 2 561 51 51 ARG HD2 H 3.207 0.004 2 562 51 51 ARG C C 173.101 0.014 1 563 51 51 ARG CA C 58.562 0.042 1 564 51 51 ARG CB C 30.167 0.044 1 565 51 51 ARG CG C 27.052 0.050 1 566 51 51 ARG CD C 43.278 0.058 1 567 51 51 ARG N N 127.794 0.065 1 568 52 52 GLU H H 8.561 0.003 1 569 52 52 GLU HA H 4.278 0.007 1 570 52 52 GLU HB2 H 2.147 0.008 2 571 52 52 GLU HG2 H 2.304 0.008 2 572 52 52 GLU HG3 H 2.262 0.011 2 573 52 52 GLU C C 172.201 0.000 1 574 52 52 GLU CA C 58.524 0.017 1 575 52 52 GLU CB C 30.278 0.046 1 576 52 52 GLU CG C 36.661 0.017 1 577 52 52 GLU N N 117.542 0.034 1 578 53 53 THR H H 8.087 0.005 1 579 53 53 THR HA H 4.436 0.008 1 580 53 53 THR HB H 4.334 0.003 1 581 53 53 THR HG2 H 1.227 0.005 1 582 53 53 THR C C 173.851 0.000 1 583 53 53 THR CA C 61.944 0.027 1 584 53 53 THR CB C 71.197 0.052 1 585 53 53 THR CG2 C 21.143 0.028 1 586 53 53 THR N N 107.065 0.039 1 587 54 54 GLY H H 8.423 0.005 1 588 54 54 GLY HA2 H 4.187 0.003 2 589 54 54 GLY HA3 H 3.757 0.014 2 590 54 54 GLY C C 176.747 0.000 1 591 54 54 GLY CA C 45.703 0.020 1 592 54 54 GLY N N 111.295 0.037 1 593 55 55 LYS H H 7.767 0.004 1 594 55 55 LYS HA H 4.353 0.004 1 595 55 55 LYS HB2 H 1.850 0.006 2 596 55 55 LYS HB3 H 1.666 0.007 2 597 55 55 LYS HG2 H 1.423 0.003 2 598 55 55 LYS HG3 H 1.441 0.006 2 599 55 55 LYS HD2 H 1.694 0.000 2 600 55 55 LYS HE2 H 2.998 0.002 2 601 55 55 LYS C C 173.854 0.000 1 602 55 55 LYS CA C 55.842 0.074 1 603 55 55 LYS CB C 33.821 0.035 1 604 55 55 LYS CG C 25.111 0.044 1 605 55 55 LYS CD C 28.913 0.001 1 606 55 55 LYS CE C 42.156 0.050 1 607 55 55 LYS N N 119.673 0.053 1 608 56 56 LEU H H 8.768 0.007 1 609 56 56 LEU HA H 4.356 0.004 1 610 56 56 LEU HB2 H 1.890 0.007 2 611 56 56 LEU HB3 H 1.529 0.008 2 612 56 56 LEU HG H 1.803 0.003 1 613 56 56 LEU HD1 H 1.001 0.007 2 614 56 56 LEU HD2 H 0.837 0.007 2 615 56 56 LEU C C 172.534 0.000 1 616 56 56 LEU CA C 56.255 0.029 1 617 56 56 LEU CB C 41.654 0.034 1 618 56 56 LEU CG C 27.515 0.071 1 619 56 56 LEU CD1 C 26.357 0.048 2 620 56 56 LEU CD2 C 23.962 0.094 2 621 56 56 LEU N N 122.426 0.048 1 622 57 57 LYS H H 8.012 0.003 1 623 57 57 LYS HA H 4.288 0.013 1 624 57 57 LYS HB2 H 1.883 0.002 2 625 57 57 LYS HB3 H 1.541 0.007 2 626 57 57 LYS HG2 H 1.430 0.004 2 627 57 57 LYS HG3 H 1.446 0.011 2 628 57 57 LYS HD2 H 1.678 0.000 2 629 57 57 LYS HD3 H 1.597 0.007 2 630 57 57 LYS HE2 H 3.015 0.002 2 631 57 57 LYS HE3 H 2.966 0.000 2 632 57 57 LYS C C 173.648 0.000 1 633 57 57 LYS CA C 56.264 0.031 1 634 57 57 LYS CB C 34.062 0.046 1 635 57 57 LYS CG C 25.250 0.032 1 636 57 57 LYS CD C 28.992 0.051 1 637 57 57 LYS CE C 41.520 0.000 1 638 57 57 LYS N N 118.264 0.041 1 639 58 58 GLY H H 8.334 0.004 1 640 58 58 GLY HA2 H 4.230 0.005 2 641 58 58 GLY HA3 H 3.774 0.003 2 642 58 58 GLY C C 177.876 0.004 1 643 58 58 GLY CA C 46.364 0.055 1 644 58 58 GLY N N 108.514 0.022 1 645 59 59 GLU H H 7.202 0.007 1 646 59 59 GLU HA H 5.521 0.004 1 647 59 59 GLU HB2 H 1.991 0.007 2 648 59 59 GLU HB3 H 1.852 0.007 2 649 59 59 GLU HG2 H 2.221 0.009 2 650 59 59 GLU HG3 H 2.148 0.005 2 651 59 59 GLU C C 173.860 0.000 1 652 59 59 GLU CA C 53.025 0.041 1 653 59 59 GLU CB C 34.304 0.054 1 654 59 59 GLU CG C 36.449 0.021 1 655 59 59 GLU N N 116.119 0.035 1 656 60 60 ALA H H 8.930 0.006 1 657 60 60 ALA HA H 5.607 0.011 1 658 60 60 ALA HB H 0.972 0.007 1 659 60 60 ALA HB H 0.972 0.007 1 660 60 60 ALA C C 173.923 0.000 1 661 60 60 ALA CA C 50.943 0.027 1 662 60 60 ALA CB C 24.059 0.059 1 663 60 60 ALA N N 123.607 0.044 1 664 61 61 THR H H 8.452 0.006 1 665 61 61 THR HA H 5.743 0.007 1 666 61 61 THR HB H 4.112 0.006 1 667 61 61 THR HG2 H 1.461 0.007 1 668 61 61 THR C C 176.172 0.000 1 669 61 61 THR CA C 59.625 0.069 1 670 61 61 THR CB C 71.224 0.062 1 671 61 61 THR CG2 C 22.522 0.044 1 672 61 61 THR N N 108.384 0.034 1 673 62 62 VAL H H 8.071 0.006 1 674 62 62 VAL HA H 4.244 0.003 1 675 62 62 VAL HB H 1.354 0.007 1 676 62 62 VAL HG1 H 0.300 0.008 2 677 62 62 VAL HG2 H 0.008 0.008 2 678 62 62 VAL C C 175.994 0.000 1 679 62 62 VAL CA C 61.426 0.032 1 680 62 62 VAL CB C 34.685 0.036 1 681 62 62 VAL CG1 C 19.940 0.035 2 682 62 62 VAL CG2 C 20.840 0.048 2 683 62 62 VAL N N 120.200 0.052 1 684 63 63 SER H H 7.695 0.005 1 685 63 63 SER HA H 5.261 0.011 1 686 63 63 SER HB2 H 3.669 0.008 2 687 63 63 SER C C 177.943 0.000 1 688 63 63 SER CA C 57.662 0.084 1 689 63 63 SER CB C 64.427 0.028 1 690 63 63 SER N N 121.689 0.054 1 691 64 64 PHE H H 9.025 0.008 1 692 64 64 PHE HA H 4.854 0.006 1 693 64 64 PHE HB2 H 3.456 0.006 2 694 64 64 PHE HB3 H 2.798 0.007 2 695 64 64 PHE HD1 H 7.042 0.007 3 696 64 64 PHE C C 174.605 0.000 1 697 64 64 PHE CA C 58.204 0.007 1 698 64 64 PHE CB C 41.976 0.030 1 699 64 64 PHE CD1 C 131.385 0.311 3 700 64 64 PHE N N 122.640 0.046 1 701 65 65 ASP H H 8.512 0.005 1 702 65 65 ASP HA H 4.435 0.003 1 703 65 65 ASP HB2 H 2.609 0.010 2 704 65 65 ASP HB3 H 2.420 0.005 2 705 65 65 ASP C C 174.396 0.000 1 706 65 65 ASP CA C 57.442 0.000 1 707 65 65 ASP CB C 42.034 0.039 1 708 65 65 ASP N N 119.943 0.046 1 709 66 66 ASP H H 8.323 0.007 1 710 66 66 ASP HA H 5.399 0.005 1 711 66 66 ASP HB2 H 2.815 0.006 2 712 66 66 ASP HB3 H 2.737 0.007 2 713 66 66 ASP C C 175.936 0.000 1 714 66 66 ASP CA C 50.793 0.070 1 715 66 66 ASP CB C 42.919 0.039 1 716 66 66 ASP N N 116.125 0.082 1 717 67 67 PRO HA H 4.450 0.008 1 718 67 67 PRO HB2 H 2.218 0.002 2 719 67 67 PRO HB3 H 2.197 0.002 2 720 67 67 PRO HG2 H 2.377 0.003 2 721 67 67 PRO HG3 H 1.843 0.005 2 722 67 67 PRO HD2 H 4.251 0.002 2 723 67 67 PRO HD3 H 3.912 0.004 2 724 67 67 PRO CA C 66.924 0.045 1 725 67 67 PRO CB C 29.830 0.009 1 726 67 67 PRO CG C 28.312 0.039 1 727 67 67 PRO CD C 51.216 0.033 1 728 68 68 PRO HA H 4.419 0.006 1 729 68 68 PRO HB2 H 2.401 0.003 2 730 68 68 PRO HB3 H 1.862 0.009 2 731 68 68 PRO HG2 H 2.131 0.004 2 732 68 68 PRO HG3 H 2.018 0.004 2 733 68 68 PRO HD2 H 3.743 0.009 2 734 68 68 PRO HD3 H 3.505 0.005 2 735 68 68 PRO C C 171.345 0.000 1 736 68 68 PRO CA C 66.235 0.035 1 737 68 68 PRO CB C 30.997 0.039 1 738 68 68 PRO CG C 28.298 0.051 1 739 68 68 PRO CD C 50.624 0.034 1 740 69 69 SER H H 8.004 0.004 1 741 69 69 SER HA H 4.036 0.008 1 742 69 69 SER HB2 H 3.895 0.005 2 743 69 69 SER HB3 H 3.050 0.010 2 744 69 69 SER C C 176.535 0.000 1 745 69 69 SER CA C 61.837 0.017 1 746 69 69 SER CB C 62.773 0.135 1 747 69 69 SER N N 114.544 0.045 1 748 70 70 ALA H H 7.383 0.006 1 749 70 70 ALA HA H 3.593 0.006 1 750 70 70 ALA HB H 1.608 0.007 1 751 70 70 ALA HB H 1.608 0.007 1 752 70 70 ALA C C 172.686 0.000 1 753 70 70 ALA CA C 55.036 0.018 1 754 70 70 ALA CB C 17.864 0.019 1 755 70 70 ALA N N 122.649 0.027 1 756 71 71 LYS H H 7.159 0.008 1 757 71 71 LYS HA H 3.775 0.005 1 758 71 71 LYS HB2 H 2.166 0.007 2 759 71 71 LYS HB3 H 1.997 0.004 2 760 71 71 LYS HG2 H 1.591 0.007 2 761 71 71 LYS HD2 H 1.892 0.006 2 762 71 71 LYS HE2 H 3.132 0.012 2 763 71 71 LYS HE3 H 3.101 0.002 2 764 71 71 LYS C C 172.333 0.000 1 765 71 71 LYS CA C 59.002 0.055 1 766 71 71 LYS CB C 32.442 0.068 1 767 71 71 LYS CG C 25.067 0.043 1 768 71 71 LYS CD C 28.731 0.020 1 769 71 71 LYS CE C 42.484 0.060 1 770 71 71 LYS N N 116.308 0.039 1 771 72 72 ALA H H 7.924 0.004 1 772 72 72 ALA HA H 4.166 0.005 1 773 72 72 ALA HB H 1.410 0.006 1 774 72 72 ALA HB H 1.410 0.006 1 775 72 72 ALA C C 170.530 0.000 1 776 72 72 ALA CA C 54.715 0.035 1 777 72 72 ALA CB C 17.820 0.021 1 778 72 72 ALA N N 119.806 0.050 1 779 73 73 ALA H H 8.104 0.006 1 780 73 73 ALA HA H 4.279 0.008 1 781 73 73 ALA HB H 1.658 0.005 1 782 73 73 ALA HB H 1.658 0.005 1 783 73 73 ALA C C 171.039 0.000 1 784 73 73 ALA CA C 55.379 0.116 1 785 73 73 ALA CB C 19.131 0.027 1 786 73 73 ALA N N 120.524 0.057 1 787 74 74 ILE H H 7.574 0.006 1 788 74 74 ILE HA H 3.414 0.006 1 789 74 74 ILE HB H 1.720 0.006 1 790 74 74 ILE HG12 H 1.441 0.008 2 791 74 74 ILE HG13 H 0.351 0.009 2 792 74 74 ILE HG2 H 0.859 0.009 1 793 74 74 ILE HD1 H -0.202 0.004 1 794 74 74 ILE C C 172.435 0.000 1 795 74 74 ILE CA C 65.844 0.055 1 796 74 74 ILE CB C 38.743 0.032 1 797 74 74 ILE CG1 C 29.428 0.052 1 798 74 74 ILE CG2 C 17.009 0.044 1 799 74 74 ILE CD1 C 13.335 0.029 1 800 74 74 ILE N N 119.875 0.030 1 801 75 75 ASP H H 7.937 0.008 1 802 75 75 ASP HA H 4.311 0.004 1 803 75 75 ASP HB2 H 2.739 0.008 2 804 75 75 ASP HB3 H 2.630 0.004 2 805 75 75 ASP C C 172.054 0.000 1 806 75 75 ASP CA C 57.161 0.047 1 807 75 75 ASP CB C 40.531 0.008 1 808 75 75 ASP N N 117.867 0.035 1 809 76 76 TRP H H 8.475 0.004 1 810 76 76 TRP HA H 4.356 0.008 1 811 76 76 TRP HB2 H 3.096 0.009 2 812 76 76 TRP HB3 H 2.544 0.008 2 813 76 76 TRP HD1 H 5.240 0.006 1 814 76 76 TRP HE1 H 9.783 0.003 1 815 76 76 TRP HE3 H 7.400 0.012 1 816 76 76 TRP HZ2 H 7.335 0.004 1 817 76 76 TRP HZ3 H 7.022 0.012 1 818 76 76 TRP HH2 H 7.140 0.007 1 819 76 76 TRP C C 173.272 0.008 1 820 76 76 TRP CA C 59.462 0.053 1 821 76 76 TRP CB C 30.777 0.027 1 822 76 76 TRP CD1 C 126.817 0.093 1 823 76 76 TRP CE3 C 120.915 0.159 1 824 76 76 TRP CZ2 C 114.228 0.045 1 825 76 76 TRP CH2 C 124.420 0.011 1 826 76 76 TRP N N 117.313 0.034 1 827 76 76 TRP NE1 N 128.097 0.016 1 828 77 77 PHE H H 8.488 0.006 1 829 77 77 PHE HA H 4.648 0.008 1 830 77 77 PHE HB2 H 3.462 0.012 2 831 77 77 PHE HD1 H 7.561 0.005 3 832 77 77 PHE HE1 H 6.986 0.008 3 833 77 77 PHE HZ H 6.836 0.012 1 834 77 77 PHE C C 173.747 0.000 1 835 77 77 PHE CA C 59.921 0.000 1 836 77 77 PHE CB C 40.730 0.020 1 837 77 77 PHE CD1 C 132.090 0.184 3 838 77 77 PHE CE1 C 131.749 0.060 3 839 77 77 PHE CZ C 128.357 0.010 1 840 77 77 PHE N N 112.019 0.047 1 841 78 78 ASP H H 7.978 0.004 1 842 78 78 ASP HA H 4.464 0.005 1 843 78 78 ASP HB2 H 3.206 0.006 2 844 78 78 ASP HB3 H 2.770 0.006 2 845 78 78 ASP C C 172.542 0.000 1 846 78 78 ASP CA C 58.690 0.000 1 847 78 78 ASP CB C 41.886 0.025 1 848 78 78 ASP N N 118.408 0.064 1 849 79 79 GLY H H 8.615 0.005 1 850 79 79 GLY HA2 H 4.263 0.006 2 851 79 79 GLY HA3 H 3.887 0.002 2 852 79 79 GLY C C 175.680 0.000 1 853 79 79 GLY CA C 46.072 0.043 1 854 79 79 GLY N N 115.548 0.032 1 855 80 80 LYS H H 8.013 0.006 1 856 80 80 LYS HA H 4.462 0.005 1 857 80 80 LYS HB2 H 2.302 0.006 2 858 80 80 LYS HB3 H 2.078 0.006 2 859 80 80 LYS HG2 H 1.504 0.005 2 860 80 80 LYS HG3 H 1.261 0.006 2 861 80 80 LYS HD2 H 1.430 0.008 2 862 80 80 LYS HD3 H 1.545 0.007 2 863 80 80 LYS HE2 H 2.667 0.003 2 864 80 80 LYS HE3 H 2.451 0.006 2 865 80 80 LYS C C 175.853 0.018 1 866 80 80 LYS CA C 55.150 0.049 1 867 80 80 LYS CB C 32.426 0.063 1 868 80 80 LYS CG C 26.439 0.027 1 869 80 80 LYS CD C 28.067 0.021 1 870 80 80 LYS CE C 42.494 0.037 1 871 80 80 LYS N N 120.271 0.040 1 872 81 81 GLU H H 8.201 0.005 1 873 81 81 GLU HA H 4.698 0.009 1 874 81 81 GLU HB2 H 1.888 0.011 2 875 81 81 GLU HB3 H 1.565 0.005 2 876 81 81 GLU HG2 H 2.206 0.010 2 877 81 81 GLU HG3 H 1.812 0.007 2 878 81 81 GLU C C 173.263 0.000 1 879 81 81 GLU CA C 55.924 0.004 1 880 81 81 GLU CB C 32.042 0.048 1 881 81 81 GLU CG C 36.346 0.070 1 882 81 81 GLU N N 115.765 0.042 1 883 82 82 PHE H H 9.162 0.005 1 884 82 82 PHE HA H 4.496 0.010 1 885 82 82 PHE HB2 H 2.877 0.005 2 886 82 82 PHE HB3 H 2.181 0.004 2 887 82 82 PHE HD1 H 6.219 0.002 3 888 82 82 PHE HE1 H 6.952 0.008 3 889 82 82 PHE C C 175.349 0.000 1 890 82 82 PHE CA C 56.716 0.007 1 891 82 82 PHE CB C 41.994 0.018 1 892 82 82 PHE CD1 C 132.136 0.225 3 893 82 82 PHE CE1 C 131.178 0.388 3 894 82 82 PHE N N 127.080 0.036 1 895 83 83 SER H H 9.193 0.006 1 896 83 83 SER HA H 3.803 0.004 1 897 83 83 SER HB2 H 3.996 0.007 2 898 83 83 SER HB3 H 3.439 0.005 2 899 83 83 SER C C 175.543 0.000 1 900 83 83 SER CA C 58.371 0.014 1 901 83 83 SER CB C 62.519 0.016 1 902 83 83 SER N N 125.136 0.066 1 903 84 84 GLY H H 8.446 0.005 1 904 84 84 GLY HA2 H 4.164 0.007 2 905 84 84 GLY HA3 H 3.605 0.004 2 906 84 84 GLY C C 177.188 0.013 1 907 84 84 GLY CA C 45.052 0.026 1 908 84 84 GLY N N 103.581 0.050 1 909 85 85 ASN H H 7.762 0.005 1 910 85 85 ASN HA H 5.334 0.003 1 911 85 85 ASN HB2 H 2.915 0.011 2 912 85 85 ASN HD21 H 7.368 0.007 2 913 85 85 ASN HD22 H 7.035 0.004 2 914 85 85 ASN C C 178.020 0.000 1 915 85 85 ASN CA C 50.471 0.036 1 916 85 85 ASN CB C 41.117 0.049 1 917 85 85 ASN CG C 173.345 0.008 1 918 85 85 ASN N N 119.051 0.072 1 919 85 85 ASN ND2 N 114.688 0.268 1 920 86 86 PRO HA H 4.667 0.008 1 921 86 86 PRO HB2 H 2.170 0.003 2 922 86 86 PRO HB3 H 1.873 0.007 2 923 86 86 PRO HG2 H 2.176 0.004 2 924 86 86 PRO HG3 H 2.025 0.004 2 925 86 86 PRO HD2 H 3.934 0.006 2 926 86 86 PRO HD3 H 3.802 0.005 2 927 86 86 PRO C C 173.474 0.000 1 928 86 86 PRO CA C 62.710 0.008 1 929 86 86 PRO CB C 31.870 0.062 1 930 86 86 PRO CG C 27.698 0.068 1 931 86 86 PRO CD C 50.873 0.042 1 932 87 87 ILE H H 8.469 0.005 1 933 87 87 ILE HA H 5.146 0.006 1 934 87 87 ILE HB H 1.805 0.003 1 935 87 87 ILE HG12 H 1.531 0.007 2 936 87 87 ILE HG13 H 1.375 0.009 2 937 87 87 ILE HG2 H 0.731 0.006 1 938 87 87 ILE HD1 H 0.790 0.003 1 939 87 87 ILE C C 174.495 0.000 1 940 87 87 ILE CA C 59.491 0.031 1 941 87 87 ILE CB C 41.671 0.035 1 942 87 87 ILE CG1 C 24.920 0.041 1 943 87 87 ILE CG2 C 18.736 0.030 1 944 87 87 ILE CD1 C 15.114 0.041 1 945 87 87 ILE N N 117.270 0.052 1 946 88 88 LYS H H 8.353 0.006 1 947 88 88 LYS HA H 5.192 0.002 1 948 88 88 LYS HB2 H 1.824 0.005 2 949 88 88 LYS HB3 H 1.539 0.005 2 950 88 88 LYS HG2 H 1.492 0.004 2 951 88 88 LYS HG3 H 1.452 0.004 2 952 88 88 LYS HD2 H 1.694 0.004 2 953 88 88 LYS HE2 H 2.982 0.000 2 954 88 88 LYS C C 174.393 0.000 1 955 88 88 LYS CA C 54.138 0.056 1 956 88 88 LYS CB C 35.049 0.034 1 957 88 88 LYS CG C 24.412 0.077 1 958 88 88 LYS CD C 28.839 0.031 1 959 88 88 LYS CE C 42.088 0.013 1 960 88 88 LYS N N 122.271 0.052 1 961 89 89 VAL H H 9.414 0.004 1 962 89 89 VAL HA H 4.963 0.006 1 963 89 89 VAL HB H 1.950 0.007 1 964 89 89 VAL HG1 H 1.104 0.006 2 965 89 89 VAL HG2 H 0.984 0.008 2 966 89 89 VAL C C 177.160 0.000 1 967 89 89 VAL CA C 61.361 0.000 1 968 89 89 VAL CB C 34.770 0.028 1 969 89 89 VAL CG1 C 22.372 0.044 2 970 89 89 VAL CG2 C 24.305 0.062 2 971 89 89 VAL N N 125.661 0.038 1 972 90 90 SER H H 8.945 0.005 1 973 90 90 SER HA H 4.710 0.008 1 974 90 90 SER HB2 H 4.097 0.005 2 975 90 90 SER HB3 H 3.978 0.006 2 976 90 90 SER C C 176.533 0.000 1 977 90 90 SER CA C 56.936 0.000 1 978 90 90 SER CB C 66.470 0.020 1 979 90 90 SER N N 119.538 0.070 1 980 91 91 PHE H H 8.919 0.004 1 981 91 91 PHE HA H 4.673 0.008 1 982 91 91 PHE HB2 H 3.082 0.008 2 983 91 91 PHE HB3 H 2.834 0.008 2 984 91 91 PHE HD1 H 7.324 0.010 3 985 91 91 PHE HE1 H 7.177 0.003 3 986 91 91 PHE C C 173.349 0.000 1 987 91 91 PHE CA C 61.155 0.000 1 988 91 91 PHE CB C 39.503 0.048 1 989 91 91 PHE CE1 C 129.653 0.043 3 990 91 91 PHE N N 120.115 0.027 1 991 92 92 ALA H H 8.563 0.003 1 992 92 92 ALA HA H 4.356 0.006 1 993 92 92 ALA HB H 1.265 0.010 1 994 92 92 ALA HB H 1.265 0.010 1 995 92 92 ALA C C 172.984 0.000 1 996 92 92 ALA CA C 52.098 0.037 1 997 92 92 ALA CB C 19.406 0.016 1 998 92 92 ALA N N 124.386 0.024 1 999 93 93 THR H H 8.312 0.011 1 1000 93 93 THR HA H 4.208 0.003 1 1001 93 93 THR HB H 4.070 0.008 1 1002 93 93 THR HG2 H 1.151 0.005 1 1003 93 93 THR C C 176.032 0.000 1 1004 93 93 THR CA C 62.255 0.049 1 1005 93 93 THR CB C 69.708 0.042 1 1006 93 93 THR CG2 C 21.582 0.074 1 1007 93 93 THR N N 116.073 0.120 1 1008 94 94 ARG H H 8.493 0.007 1 1009 94 94 ARG HA H 4.337 0.010 1 1010 94 94 ARG HB2 H 1.807 0.007 2 1011 94 94 ARG HB3 H 1.695 0.007 2 1012 94 94 ARG HG2 H 1.631 0.000 2 1013 94 94 ARG HD2 H 3.090 0.009 2 1014 94 94 ARG C C 174.426 0.000 1 1015 94 94 ARG CA C 56.055 0.019 1 1016 94 94 ARG CB C 30.911 0.039 1 1017 94 94 ARG CG C 27.128 0.000 1 1018 94 94 ARG CD C 43.357 0.034 1 1019 94 94 ARG N N 124.359 0.036 1 1020 95 95 ARG H H 8.343 0.005 1 1021 95 95 ARG HA H 4.228 0.006 1 1022 95 95 ARG HB2 H 1.806 0.004 2 1023 95 95 ARG HB3 H 1.683 0.005 2 1024 95 95 ARG HG2 H 1.571 0.005 2 1025 95 95 ARG HD2 H 3.089 0.005 2 1026 95 95 ARG C C 174.306 0.000 1 1027 95 95 ARG CA C 56.142 0.047 1 1028 95 95 ARG CB C 30.966 0.017 1 1029 95 95 ARG CG C 27.074 0.032 1 1030 95 95 ARG CD C 43.358 0.000 1 1031 95 95 ARG N N 122.515 0.063 1 1032 96 96 ALA H H 8.402 0.007 1 1033 96 96 ALA HA H 4.209 0.004 1 1034 96 96 ALA HB H 1.283 0.003 1 1035 96 96 ALA HB H 1.283 0.003 1 1036 96 96 ALA C C 173.226 0.000 1 1037 96 96 ALA CA C 52.770 0.057 1 1038 96 96 ALA CB C 19.193 0.032 1 1039 96 96 ALA N N 125.127 0.017 1 1040 97 97 ASP H H 8.206 0.006 1 1041 97 97 ASP HA H 4.498 0.008 1 1042 97 97 ASP HB2 H 2.586 0.006 2 1043 97 97 ASP C C 174.302 0.000 1 1044 97 97 ASP CA C 54.091 0.014 1 1045 97 97 ASP CB C 40.907 0.027 1 1046 97 97 ASP N N 118.483 0.051 1 1047 98 98 PHE H H 7.990 0.004 1 1048 98 98 PHE HA H 4.490 0.003 1 1049 98 98 PHE HB2 H 3.091 0.003 2 1050 98 98 PHE HB3 H 3.022 0.009 2 1051 98 98 PHE HD1 H 7.178 0.005 3 1052 98 98 PHE C C 174.878 0.000 1 1053 98 98 PHE CA C 58.160 0.001 1 1054 98 98 PHE CB C 39.303 0.035 1 1055 98 98 PHE N N 120.321 0.019 1 1056 99 99 ASN H H 8.336 0.004 1 1057 99 99 ASN HA H 4.609 0.006 1 1058 99 99 ASN HB2 H 2.775 0.004 2 1059 99 99 ASN HB3 H 2.635 0.006 2 1060 99 99 ASN HD21 H 7.586 0.008 2 1061 99 99 ASN HD22 H 6.894 0.003 2 1062 99 99 ASN C C 175.348 0.000 1 1063 99 99 ASN CA C 53.313 0.029 1 1064 99 99 ASN CB C 38.727 0.040 1 1065 99 99 ASN CG C 173.452 0.014 1 1066 99 99 ASN N N 120.016 0.023 1 1067 99 99 ASN ND2 N 112.559 0.269 1 1068 100 100 ARG H H 8.181 0.005 1 1069 100 100 ARG HA H 4.273 0.006 1 1070 100 100 ARG HB2 H 1.883 0.005 2 1071 100 100 ARG HB3 H 1.751 0.010 2 1072 100 100 ARG HG2 H 1.697 0.000 2 1073 100 100 ARG HD2 H 3.163 0.000 2 1074 100 100 ARG C C 173.627 0.000 1 1075 100 100 ARG CA C 56.492 0.085 1 1076 100 100 ARG CB C 30.519 0.035 1 1077 100 100 ARG CG C 27.253 0.000 1 1078 100 100 ARG N N 121.374 0.026 1 1079 101 101 GLY H H 8.413 0.004 1 1080 101 101 GLY HA2 H 3.959 0.002 2 1081 101 101 GLY C C 175.739 0.050 1 1082 101 101 GLY CA C 45.380 0.000 1 1083 101 101 GLY N N 109.586 0.027 1 1084 102 102 GLY H H 8.281 0.005 1 1085 102 102 GLY HA2 H 3.958 0.003 2 1086 102 102 GLY C C 176.286 0.000 1 1087 102 102 GLY CA C 45.338 0.000 1 1088 102 102 GLY N N 108.692 0.049 1 1089 103 103 GLY H H 8.364 0.002 1 1090 103 103 GLY HA2 H 3.952 0.000 2 1091 103 103 GLY C C 175.798 0.000 1 1092 103 103 GLY CA C 45.346 0.000 1 1093 103 103 GLY N N 108.844 0.042 1 1094 104 104 ASN H H 8.438 0.003 1 1095 104 104 ASN HA H 4.718 0.001 1 1096 104 104 ASN HB2 H 2.798 0.005 2 1097 104 104 ASN HD21 H 7.599 0.003 2 1098 104 104 ASN HD22 H 6.940 0.003 2 1099 104 104 ASN C C 174.547 0.000 1 1100 104 104 ASN CA C 53.209 0.045 1 1101 104 104 ASN CB C 38.879 0.043 1 1102 104 104 ASN CG C 173.294 0.008 1 1103 104 104 ASN N N 118.527 0.071 1 1104 104 104 ASN ND2 N 112.397 0.279 1 1105 105 105 GLY H H 8.477 0.004 1 1106 105 105 GLY HA2 H 3.951 0.002 2 1107 105 105 GLY C C 176.074 0.003 1 1108 105 105 GLY CA C 45.602 0.000 1 1109 105 105 GLY N N 109.166 0.031 1 1110 106 106 ARG H H 8.244 0.004 1 1111 106 106 ARG HA H 4.351 0.008 1 1112 106 106 ARG HB2 H 1.893 0.003 2 1113 106 106 ARG HB3 H 1.736 0.006 2 1114 106 106 ARG HG2 H 1.597 0.004 2 1115 106 106 ARG HD2 H 3.163 0.000 2 1116 106 106 ARG C C 173.491 0.000 1 1117 106 106 ARG CA C 56.227 0.022 1 1118 106 106 ARG CB C 30.629 0.061 1 1119 106 106 ARG CG C 27.108 0.046 1 1120 106 106 ARG CD C 43.281 0.000 1 1121 106 106 ARG N N 120.341 0.039 1 1122 107 107 GLY H H 8.522 0.004 1 1123 107 107 GLY HA2 H 3.955 0.004 2 1124 107 107 GLY C C 175.834 0.002 1 1125 107 107 GLY CA C 45.441 0.000 1 1126 107 107 GLY N N 109.856 0.041 1 1127 108 108 GLY H H 8.331 0.004 1 1128 108 108 GLY HA2 H 3.963 0.002 2 1129 108 108 GLY C C 176.199 0.000 1 1130 108 108 GLY CA C 45.344 0.000 1 1131 108 108 GLY N N 108.889 0.024 1 stop_ save_