data_6761 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF AN N-TERMINAL UBIQUITIN-LIKE DOMAIN IN THE GLUT4-TETHERING PROTEIN, TUG ; _BMRB_accession_number 6761 _BMRB_flat_file_name bmr6761.str _Entry_type original _Submission_date 2005-08-05 _Accession_date 2005-08-05 _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 Tettamanzi Cristina M. . 2 Yu Chenfei . . 3 Bogan Jonathan . . 4 Hodsdon Michael E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 503 "13C chemical shifts" 378 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-27 original author . stop_ _Original_release_date 2006-04-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF AN N-TERMINAL UBIQUITIN-LIKE DOMAIN IN THE GLUT4-TETHERING PROTEIN, TUG ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16501224 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tettamanzi Cristina M. . 2 Yu Chenfei . . 3 Bogan Jonathan . . 4 Hodsdon Michael E. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 15 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 498 _Page_last 508 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UBL1 domain of TUG' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UBL1 domain of TUG' $TUG-UBL1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'comprises residues 10 - 85 of murine TUG' save_ ######################## # Monomeric polymers # ######################## save_TUG-UBL1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TUG-UBL1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MAAPAGGGGSAVSVLAPNGR RHTVKVTPSTVLLQVLEDTC RRQDFNPSEYDLKFQRTVLD LSLQWRFANLPNNAKLEMVP VSRSREGPEN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 PRO 5 ALA 6 GLY 7 GLY 8 GLY 9 GLY 10 SER 11 ALA 12 VAL 13 SER 14 VAL 15 LEU 16 ALA 17 PRO 18 ASN 19 GLY 20 ARG 21 ARG 22 HIS 23 THR 24 VAL 25 LYS 26 VAL 27 THR 28 PRO 29 SER 30 THR 31 VAL 32 LEU 33 LEU 34 GLN 35 VAL 36 LEU 37 GLU 38 ASP 39 THR 40 CYS 41 ARG 42 ARG 43 GLN 44 ASP 45 PHE 46 ASN 47 PRO 48 SER 49 GLU 50 TYR 51 ASP 52 LEU 53 LYS 54 PHE 55 GLN 56 ARG 57 THR 58 VAL 59 LEU 60 ASP 61 LEU 62 SER 63 LEU 64 GLN 65 TRP 66 ARG 67 PHE 68 ALA 69 ASN 70 LEU 71 PRO 72 ASN 73 ASN 74 ALA 75 LYS 76 LEU 77 GLU 78 MET 79 VAL 80 PRO 81 VAL 82 SER 83 ARG 84 SER 85 ARG 86 GLU 87 GLY 88 PRO 89 GLU 90 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2AL3 "Solution Structure And Backbone Dynamics Of An N-Terminal Ubiquitin-Like Domain In The Glut4-Tethering Protein, Tug" 100.00 90 100.00 100.00 1.41e-58 GB AAH19177 "Alveolar soft part sarcoma chromosome region, candidate 1 (human) [Mus musculus]" 100.00 550 100.00 100.00 5.19e-54 GB AAH22115 "Alveolar soft part sarcoma chromosome region, candidate 1 (human) [Mus musculus]" 100.00 550 100.00 100.00 5.19e-54 GB AAH31153 "Alveolar soft part sarcoma chromosome region, candidate 1 (human) [Mus musculus]" 100.00 550 100.00 100.00 5.19e-54 GB AAI62026 "Aspscr1 protein [Rattus norvegicus]" 100.00 467 98.89 98.89 4.96e-54 GB AAR01614 "TUG long isoform [Mus musculus]" 100.00 550 100.00 100.00 5.19e-54 REF NP_081153 "tether containing UBX domain for GLUT4 isoform 1 [Mus musculus]" 100.00 550 100.00 100.00 5.19e-54 REF XP_001076577 "PREDICTED: LOW QUALITY PROTEIN: tether containing UBX domain for GLUT4 isoform X3 [Rattus norvegicus]" 100.00 530 98.89 98.89 1.10e-53 REF XP_002724631 "PREDICTED: tether containing UBX domain for GLUT4 isoform X1 [Rattus norvegicus]" 100.00 551 98.89 98.89 1.98e-53 REF XP_003786587 "PREDICTED: tether containing UBX domain for GLUT4 [Otolemur garnettii]" 100.00 579 97.78 98.89 2.38e-52 REF XP_004404527 "PREDICTED: tether containing UBX domain for GLUT4 [Odobenus rosmarus divergens]" 100.00 537 97.78 98.89 6.06e-53 SP Q8VBT9 "RecName: Full=Tether containing UBX domain for GLUT4; AltName: Full=Alveolar soft part sarcoma chromosomal region candidate gen" 100.00 550 100.00 100.00 5.19e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TUG-UBL1 'house mouse' . 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 $TUG-UBL1 'recombinant technology' 'E. Coli' . . 'BL21 DE3' plasmid pGEX-2K 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 $TUG-UBL1 0.75 mM '[U-98% 13C; U-98% 15N]' 'phosphate buffer' 20 mM . NaCl 20 mM . 'sodium azide' 0.05 % . leupeptin 10 uM . pepstatin 10 uM . D20 5 % . stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.106 _Details '3D data analysis' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.5 _Details 'structure solution' save_ save_nmrView _Saveframe_category software _Name NMRView _Version 5.0.4 _Details '4D data analysis' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.0 _Details 'processing Varian format data' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label $sample_1 save_ save_HCC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH _Sample_label $sample_1 save_ save_15N-TOCSYHSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSYHSQC _Sample_label $sample_1 save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_13C-NOESYHSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESYHSQC _Sample_label $sample_1 save_ save_LRCC_10 _Saveframe_category NMR_applied_experiment _Experiment_name LRCC _Sample_label $sample_1 save_ save_15N-NOESY_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-NOESY HSQC' _Sample_label $sample_1 save_ save_(4D)_13C_15N_HMQC-NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '(4D) 13C 15N HMQC-NOESY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.02 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'UBL1 domain of TUG' _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 MET H H 8.127 0.020 1 2 1 1 MET HA H 4.502 0.020 1 3 1 1 MET HB2 H 2.103 0.020 2 4 1 1 MET HB3 H 2.006 0.020 2 5 1 1 MET HG2 H 2.614 0.020 2 6 1 1 MET HG3 H 2.570 0.020 2 7 1 1 MET HE H 2.125 0.020 1 8 1 1 MET C C 175.770 0.400 1 9 1 1 MET CA C 55.497 0.400 1 10 1 1 MET CB C 32.787 0.400 1 11 1 1 MET CG C 32.038 0.400 1 12 1 1 MET CE C 16.795 0.400 1 13 1 1 MET N N 123.674 0.400 1 14 2 2 ALA H H 8.316 0.020 1 15 2 2 ALA HA H 4.304 0.020 1 16 2 2 ALA HB H 1.362 0.020 1 17 2 2 ALA C C 176.977 0.400 1 18 2 2 ALA CA C 52.304 0.400 1 19 2 2 ALA CB C 19.339 0.400 1 20 2 2 ALA N N 125.924 0.400 1 21 3 3 ALA H H 8.274 0.020 1 22 3 3 ALA HA H 4.589 0.020 1 23 3 3 ALA HB H 1.347 0.020 1 24 3 3 ALA C C 175.540 0.400 1 25 3 3 ALA CA C 50.432 0.400 1 26 3 3 ALA CB C 18.279 0.400 1 27 3 3 ALA N N 125.105 0.400 1 28 4 4 PRO HA H 4.408 0.020 1 29 4 4 PRO HB2 H 2.294 0.020 2 30 4 4 PRO HB3 H 2.001 0.020 2 31 4 4 PRO HG2 H 1.981 0.020 1 32 4 4 PRO HG3 H 1.981 0.020 1 33 4 4 PRO HD2 H 3.705 0.020 1 34 4 4 PRO HD3 H 3.705 0.020 1 35 4 4 PRO C C 176.987 0.400 1 36 4 4 PRO CA C 63.100 0.400 1 37 4 4 PRO CB C 32.114 0.400 1 38 4 4 PRO CG C 27.441 0.400 1 39 4 4 PRO CD C 50.451 0.400 1 40 5 5 ALA H H 8.487 0.020 1 41 5 5 ALA HA H 4.319 0.020 1 42 5 5 ALA HB H 1.405 0.020 1 43 5 5 ALA C C 178.535 0.400 1 44 5 5 ALA CA C 52.720 0.400 1 45 5 5 ALA CB C 19.274 0.400 1 46 5 5 ALA N N 125.031 0.400 1 47 6 6 GLY H H 8.433 0.020 1 48 6 6 GLY HA2 H 3.993 0.020 1 49 6 6 GLY HA3 H 3.993 0.020 1 50 6 6 GLY C C 174.919 0.400 1 51 6 6 GLY CA C 45.523 0.400 1 52 6 6 GLY N N 108.688 0.400 1 53 7 7 GLY H H 8.305 0.020 1 54 7 7 GLY HA2 H 3.992 0.020 1 55 7 7 GLY HA3 H 3.992 0.020 1 56 7 7 GLY C C 174.875 0.400 1 57 7 7 GLY CA C 45.381 0.400 1 58 7 7 GLY N N 108.721 0.400 1 59 8 8 GLY H H 8.373 0.020 1 60 8 8 GLY HA2 H 3.995 0.020 1 61 8 8 GLY HA3 H 3.995 0.020 1 62 8 8 GLY C C 174.533 0.400 1 63 8 8 GLY CA C 45.241 0.400 1 64 8 8 GLY N N 108.715 0.400 1 65 9 9 GLY H H 8.263 0.020 1 66 9 9 GLY HA2 H 4.019 0.020 1 67 9 9 GLY HA3 H 4.019 0.020 1 68 9 9 GLY C C 173.794 0.400 1 69 9 9 GLY CA C 45.033 0.400 1 70 9 9 GLY N N 108.608 0.400 1 71 10 10 SER H H 8.125 0.020 1 72 10 10 SER HA H 4.725 0.020 1 73 10 10 SER HB2 H 3.390 0.020 2 74 10 10 SER HB3 H 3.442 0.020 2 75 10 10 SER C C 173.159 0.400 1 76 10 10 SER CA C 57.424 0.400 1 77 10 10 SER CB C 64.783 0.400 1 78 10 10 SER N N 115.955 0.400 1 79 11 11 ALA H H 8.630 0.020 1 80 11 11 ALA HA H 4.883 0.020 1 81 11 11 ALA HB H 1.175 0.020 1 82 11 11 ALA C C 175.103 0.400 1 83 11 11 ALA CA C 51.510 0.400 1 84 11 11 ALA CB C 22.050 0.400 1 85 11 11 ALA N N 125.492 0.400 1 86 12 12 VAL H H 8.398 0.020 1 87 12 12 VAL HA H 4.653 0.020 1 88 12 12 VAL HB H 2.154 0.020 1 89 12 12 VAL HG1 H 0.800 0.020 2 90 12 12 VAL HG2 H 0.665 0.020 2 91 12 12 VAL C C 174.019 0.400 1 92 12 12 VAL CA C 59.249 0.400 1 93 12 12 VAL CB C 35.049 0.400 1 94 12 12 VAL CG1 C 23.716 0.400 1 95 12 12 VAL CG2 C 20.060 0.400 1 96 12 12 VAL N N 112.196 0.400 1 97 13 13 SER H H 8.553 0.020 1 98 13 13 SER HA H 5.323 0.020 1 99 13 13 SER HB2 H 3.680 0.020 1 100 13 13 SER HB3 H 3.611 0.020 1 101 13 13 SER C C 173.600 0.400 1 102 13 13 SER CA C 56.371 0.400 1 103 13 13 SER CB C 65.439 0.400 1 104 13 13 SER N N 115.831 0.400 1 105 14 14 VAL H H 9.337 0.020 1 106 14 14 VAL HA H 4.465 0.020 1 107 14 14 VAL HB H 2.167 0.020 1 108 14 14 VAL HG1 H 0.740 0.020 1 109 14 14 VAL HG2 H 0.665 0.020 1 110 14 14 VAL C C 175.137 0.400 1 111 14 14 VAL CA C 61.095 0.400 1 112 14 14 VAL CB C 34.205 0.400 1 113 14 14 VAL CG1 C 21.542 0.400 1 114 14 14 VAL CG2 C 23.255 0.400 1 115 14 14 VAL N N 124.794 0.400 1 116 15 15 LEU H H 8.810 0.020 1 117 15 15 LEU HA H 4.682 0.020 1 118 15 15 LEU HB2 H 1.944 0.020 1 119 15 15 LEU HB3 H 1.437 0.020 1 120 15 15 LEU HG H 1.540 0.020 1 121 15 15 LEU HD1 H 0.877 0.020 2 122 15 15 LEU HD2 H 0.779 0.020 2 123 15 15 LEU C C 175.124 0.400 1 124 15 15 LEU CA C 54.321 0.400 1 125 15 15 LEU CB C 43.007 0.400 1 126 15 15 LEU CG C 27.109 0.400 1 127 15 15 LEU CD1 C 26.040 0.400 1 128 15 15 LEU CD2 C 23.568 0.400 1 129 15 15 LEU N N 129.180 0.400 1 130 16 16 ALA H H 8.847 0.020 1 131 16 16 ALA HA H 4.902 0.020 1 132 16 16 ALA HB H 1.351 0.020 1 133 16 16 ALA C C 177.246 0.400 1 134 16 16 ALA CA C 50.472 0.400 1 135 16 16 ALA CB C 18.119 0.400 1 136 16 16 ALA N N 132.389 0.400 1 137 17 17 PRO HA H 4.409 0.020 1 138 17 17 PRO HB2 H 1.780 0.020 2 139 17 17 PRO HB3 H 2.446 0.020 2 140 17 17 PRO HG2 H 1.429 0.020 2 141 17 17 PRO HG3 H 1.245 0.020 2 142 17 17 PRO HD2 H 3.341 0.020 2 143 17 17 PRO HD3 H 2.104 0.020 2 144 17 17 PRO C C 176.068 0.400 1 145 17 17 PRO CA C 64.570 0.400 1 146 17 17 PRO CB C 31.655 0.400 1 147 17 17 PRO CG C 28.047 0.400 1 148 17 17 PRO CD C 50.270 0.400 1 149 18 18 ASN H H 7.211 0.020 1 150 18 18 ASN HA H 4.765 0.020 1 151 18 18 ASN HB2 H 3.409 0.020 1 152 18 18 ASN HB3 H 3.062 0.020 1 153 18 18 ASN C C 176.463 0.400 1 154 18 18 ASN CA C 52.213 0.400 1 155 18 18 ASN CB C 37.468 0.400 1 156 18 18 ASN N N 111.236 0.400 1 157 19 19 GLY H H 8.348 0.020 1 158 19 19 GLY HA2 H 3.991 0.020 1 159 19 19 GLY HA3 H 3.991 0.020 1 160 19 19 GLY C C 173.914 0.400 1 161 19 19 GLY CA C 45.611 0.400 1 162 19 19 GLY N N 107.842 0.400 1 163 20 20 ARG H H 7.434 0.020 1 164 20 20 ARG HA H 4.382 0.020 1 165 20 20 ARG HB2 H 1.756 0.020 1 166 20 20 ARG HB3 H 1.756 0.020 1 167 20 20 ARG HG2 H 1.446 0.020 2 168 20 20 ARG HG3 H 1.530 0.020 2 169 20 20 ARG HD2 H 3.185 0.020 1 170 20 20 ARG HD3 H 3.185 0.020 1 171 20 20 ARG C C 174.938 0.400 1 172 20 20 ARG CA C 55.476 0.400 1 173 20 20 ARG CB C 30.914 0.400 1 174 20 20 ARG CG C 27.407 0.400 1 175 20 20 ARG CD C 43.218 0.400 1 176 20 20 ARG N N 120.140 0.400 1 177 21 21 ARG H H 8.549 0.020 1 178 21 21 ARG HA H 5.186 0.020 1 179 21 21 ARG HB2 H 1.629 0.020 1 180 21 21 ARG HB3 H 1.629 0.020 1 181 21 21 ARG HG2 H 1.386 0.020 2 182 21 21 ARG HG3 H 1.603 0.020 2 183 21 21 ARG HD2 H 3.145 0.020 1 184 21 21 ARG HD3 H 3.145 0.020 1 185 21 21 ARG C C 175.658 0.400 1 186 21 21 ARG CA C 55.039 0.400 1 187 21 21 ARG CB C 32.112 0.400 1 188 21 21 ARG CG C 28.889 0.400 1 189 21 21 ARG CD C 43.284 0.400 1 190 21 21 ARG N N 122.391 0.400 1 191 22 22 HIS H H 8.978 0.020 1 192 22 22 HIS HA H 4.930 0.020 1 193 22 22 HIS HB2 H 3.066 0.020 1 194 22 22 HIS HB3 H 2.827 0.020 1 195 22 22 HIS HD2 H 6.933 0.020 1 196 22 22 HIS HE1 H 7.699 0.020 1 197 22 22 HIS C C 174.423 0.400 1 198 22 22 HIS CA C 55.256 0.400 1 199 22 22 HIS CB C 34.631 0.400 1 200 22 22 HIS CD2 C 120.211 0.400 1 201 22 22 HIS CE1 C 138.957 0.400 1 202 22 22 HIS N N 126.048 0.400 1 203 23 23 THR H H 8.341 0.020 1 204 23 23 THR HA H 4.853 0.020 1 205 23 23 THR HB H 3.857 0.020 1 206 23 23 THR HG2 H 1.014 0.020 1 207 23 23 THR C C 173.523 0.400 1 208 23 23 THR CA C 62.599 0.400 1 209 23 23 THR CB C 69.538 0.400 1 210 23 23 THR CG2 C 21.724 0.400 1 211 23 23 THR N N 123.747 0.400 1 212 24 24 VAL H H 8.814 0.020 1 213 24 24 VAL HA H 4.138 0.020 1 214 24 24 VAL HB H 1.689 0.020 1 215 24 24 VAL HG1 H 0.884 0.020 2 216 24 24 VAL HG2 H 0.884 0.020 2 217 24 24 VAL C C 174.674 0.400 1 218 24 24 VAL CA C 61.002 0.400 1 219 24 24 VAL CB C 34.770 0.400 1 220 24 24 VAL CG1 C 21.518 0.400 1 221 24 24 VAL N N 127.277 0.400 1 222 25 25 LYS H H 8.501 0.020 1 223 25 25 LYS HA H 4.404 0.020 1 224 25 25 LYS HB2 H 1.668 0.020 1 225 25 25 LYS HB3 H 1.739 0.020 1 226 25 25 LYS HG2 H 1.273 0.020 2 227 25 25 LYS HG3 H 1.477 0.020 2 228 25 25 LYS HD2 H 1.615 0.020 1 229 25 25 LYS HD3 H 1.615 0.020 1 230 25 25 LYS HE2 H 2.912 0.020 1 231 25 25 LYS HE3 H 2.912 0.020 1 232 25 25 LYS C C 176.154 0.400 1 233 25 25 LYS CA C 56.622 0.400 1 234 25 25 LYS CB C 32.426 0.400 1 235 25 25 LYS CG C 25.085 0.400 1 236 25 25 LYS CD C 29.079 0.400 1 237 25 25 LYS CE C 42.006 0.400 1 238 25 25 LYS N N 126.934 0.400 1 239 26 26 VAL H H 7.847 0.020 1 240 26 26 VAL HA H 4.482 0.020 1 241 26 26 VAL HB H 1.316 0.020 1 242 26 26 VAL HG1 H 0.247 0.020 2 243 26 26 VAL HG2 H -0.880 0.020 2 244 26 26 VAL C C 174.214 0.400 1 245 26 26 VAL CA C 59.022 0.400 1 246 26 26 VAL CB C 34.979 0.400 1 247 26 26 VAL CG1 C 21.913 0.400 1 248 26 26 VAL CG2 C 16.169 0.400 1 249 26 26 VAL N N 114.958 0.400 1 250 27 27 THR H H 8.429 0.020 1 251 27 27 THR HA H 4.780 0.020 1 252 27 27 THR HB H 4.601 0.020 1 253 27 27 THR HG2 H 1.095 0.020 1 254 27 27 THR C C 173.652 0.400 1 255 27 27 THR CA C 58.925 0.400 1 256 27 27 THR CB C 68.784 0.400 1 257 27 27 THR CG2 C 21.414 0.400 1 258 27 27 THR N N 114.214 0.400 1 259 28 28 PRO HA H 4.366 0.020 1 260 28 28 PRO HB2 H 2.461 0.020 2 261 28 28 PRO HB3 H 2.013 0.020 2 262 28 28 PRO HG2 H 2.224 0.020 1 263 28 28 PRO HG3 H 2.224 0.020 1 264 28 28 PRO HD2 H 3.846 0.020 1 265 28 28 PRO HD3 H 3.846 0.020 1 266 28 28 PRO C C 176.416 0.400 1 267 28 28 PRO CA C 66.687 0.400 1 268 28 28 PRO CB C 32.677 0.400 1 269 28 28 PRO CG C 28.250 0.400 1 270 28 28 PRO CD C 50.339 0.400 1 271 29 29 SER H H 7.496 0.020 1 272 29 29 SER HA H 4.665 0.020 1 273 29 29 SER HB2 H 3.992 0.020 1 274 29 29 SER HB3 H 3.791 0.020 1 275 29 29 SER C C 174.710 0.400 1 276 29 29 SER CA C 57.817 0.400 1 277 29 29 SER CB C 63.909 0.400 1 278 29 29 SER N N 105.692 0.400 1 279 30 30 THR H H 8.073 0.020 1 280 30 30 THR HA H 4.016 0.020 1 281 30 30 THR HB H 4.134 0.020 1 282 30 30 THR HG2 H 1.258 0.020 1 283 30 30 THR C C 173.650 0.400 1 284 30 30 THR CA C 65.274 0.400 1 285 30 30 THR CB C 70.401 0.400 1 286 30 30 THR CG2 C 21.727 0.400 1 287 30 30 THR N N 122.630 0.400 1 288 31 31 VAL H H 8.719 0.020 1 289 31 31 VAL HA H 4.748 0.020 1 290 31 31 VAL HB H 2.162 0.020 1 291 31 31 VAL HG1 H 1.153 0.020 2 292 31 31 VAL HG2 H 1.153 0.020 2 293 31 31 VAL C C 178.745 0.400 1 294 31 31 VAL CA C 61.317 0.400 1 295 31 31 VAL CB C 32.918 0.400 1 296 31 31 VAL CG1 C 22.596 0.400 1 297 31 31 VAL N N 128.714 0.400 1 298 32 32 LEU H H 8.755 0.020 1 299 32 32 LEU HA H 3.962 0.020 1 300 32 32 LEU HB2 H 2.192 0.020 1 301 32 32 LEU HB3 H 1.336 0.020 1 302 32 32 LEU HG H 2.003 0.020 1 303 32 32 LEU HD1 H 0.844 0.020 2 304 32 32 LEU HD2 H 0.974 0.020 2 305 32 32 LEU C C 179.490 0.400 1 306 32 32 LEU CA C 58.981 0.400 1 307 32 32 LEU CB C 41.346 0.400 1 308 32 32 LEU CG C 27.680 0.400 1 309 32 32 LEU CD1 C 21.992 0.400 1 310 32 32 LEU CD2 C 26.116 0.400 1 311 32 32 LEU N N 127.410 0.400 1 312 33 33 LEU H H 8.793 0.020 1 313 33 33 LEU HA H 4.122 0.020 1 314 33 33 LEU HB2 H 1.657 0.020 1 315 33 33 LEU HB3 H 1.643 0.020 1 316 33 33 LEU HG H 1.622 0.020 1 317 33 33 LEU HD1 H 0.902 0.020 1 318 33 33 LEU HD2 H 1.039 0.020 1 319 33 33 LEU C C 178.042 0.400 1 320 33 33 LEU CA C 58.667 0.400 1 321 33 33 LEU CB C 42.265 0.400 1 322 33 33 LEU CG C 27.058 0.400 1 323 33 33 LEU CD1 C 25.844 0.400 1 324 33 33 LEU CD2 C 23.409 0.400 1 325 33 33 LEU N N 119.967 0.400 1 326 34 34 GLN H H 7.984 0.020 1 327 34 34 GLN HA H 4.197 0.020 1 328 34 34 GLN HB2 H 2.214 0.020 1 329 34 34 GLN HB3 H 2.465 0.020 1 330 34 34 GLN HG2 H 2.512 0.020 1 331 34 34 GLN HG3 H 2.512 0.020 1 332 34 34 GLN C C 179.192 0.400 1 333 34 34 GLN CA C 59.074 0.400 1 334 34 34 GLN CB C 28.694 0.400 1 335 34 34 GLN CG C 34.939 0.400 1 336 34 34 GLN N N 116.389 0.400 1 337 35 35 VAL H H 7.485 0.020 1 338 35 35 VAL HA H 3.677 0.020 1 339 35 35 VAL HB H 2.507 0.020 1 340 35 35 VAL HG1 H 0.830 0.020 2 341 35 35 VAL HG2 H 0.706 0.020 2 342 35 35 VAL C C 178.849 0.400 1 343 35 35 VAL CA C 65.885 0.400 1 344 35 35 VAL CB C 30.975 0.400 1 345 35 35 VAL CG1 C 21.969 0.400 1 346 35 35 VAL CG2 C 21.882 0.400 1 347 35 35 VAL N N 119.836 0.400 1 348 36 36 LEU H H 7.443 0.020 1 349 36 36 LEU HA H 4.065 0.020 1 350 36 36 LEU HB2 H 1.413 0.020 1 351 36 36 LEU HB3 H 2.348 0.020 1 352 36 36 LEU HG H 1.572 0.020 1 353 36 36 LEU HD1 H 1.160 0.020 2 354 36 36 LEU HD2 H 0.848 0.020 2 355 36 36 LEU C C 178.718 0.400 1 356 36 36 LEU CA C 58.506 0.400 1 357 36 36 LEU CB C 42.055 0.400 1 358 36 36 LEU CD1 C 27.393 0.400 1 359 36 36 LEU CD2 C 23.748 0.400 1 360 36 36 LEU N N 121.858 0.400 1 361 37 37 GLU H H 9.174 0.020 1 362 37 37 GLU HA H 3.755 0.020 1 363 37 37 GLU HB2 H 2.046 0.020 2 364 37 37 GLU HB3 H 2.211 0.020 2 365 37 37 GLU HG2 H 2.588 0.020 2 366 37 37 GLU HG3 H 2.092 0.020 2 367 37 37 GLU C C 179.127 0.400 1 368 37 37 GLU CA C 61.106 0.400 1 369 37 37 GLU CB C 29.930 0.400 1 370 37 37 GLU CG C 37.335 0.400 1 371 37 37 GLU N N 119.524 0.400 1 372 38 38 ASP H H 8.555 0.020 1 373 38 38 ASP HA H 4.363 0.020 1 374 38 38 ASP HB2 H 2.928 0.020 2 375 38 38 ASP HB3 H 2.735 0.020 2 376 38 38 ASP C C 178.498 0.400 1 377 38 38 ASP CA C 58.177 0.400 1 378 38 38 ASP CB C 42.241 0.400 1 379 38 38 ASP N N 119.660 0.400 1 380 39 39 THR H H 7.517 0.020 1 381 39 39 THR HA H 3.434 0.020 1 382 39 39 THR HB H 4.256 0.020 1 383 39 39 THR HG2 H 1.008 0.020 1 384 39 39 THR C C 176.874 0.400 1 385 39 39 THR CA C 67.383 0.400 1 386 39 39 THR CB C 68.509 0.400 1 387 39 39 THR CG2 C 21.899 0.400 1 388 39 39 THR N N 114.019 0.400 1 389 40 40 CYS H H 8.410 0.020 1 390 40 40 CYS HA H 3.963 0.020 1 391 40 40 CYS HB2 H 3.012 0.020 1 392 40 40 CYS HB3 H 3.353 0.020 1 393 40 40 CYS C C 176.846 0.400 1 394 40 40 CYS CA C 65.721 0.400 1 395 40 40 CYS CB C 26.867 0.400 1 396 40 40 CYS N N 118.314 0.400 1 397 41 41 ARG H H 8.288 0.020 1 398 41 41 ARG HA H 4.247 0.020 1 399 41 41 ARG HB2 H 1.932 0.020 1 400 41 41 ARG HB3 H 2.039 0.020 1 401 41 41 ARG HG2 H 1.820 0.020 2 402 41 41 ARG HG3 H 1.711 0.020 2 403 41 41 ARG HD2 H 3.245 0.020 2 404 41 41 ARG HD3 H 3.300 0.020 2 405 41 41 ARG C C 178.672 0.400 1 406 41 41 ARG CA C 58.969 0.400 1 407 41 41 ARG CB C 30.176 0.400 1 408 41 41 ARG CG C 28.041 0.400 1 409 41 41 ARG CD C 43.394 0.400 1 410 41 41 ARG N N 119.515 0.400 1 411 42 42 ARG H H 7.533 0.020 1 412 42 42 ARG HA H 4.171 0.020 1 413 42 42 ARG HB2 H 1.729 0.020 2 414 42 42 ARG HB3 H 1.606 0.020 2 415 42 42 ARG HG2 H 1.712 0.020 2 416 42 42 ARG HG3 H 1.620 0.020 2 417 42 42 ARG HD2 H 3.178 0.020 2 418 42 42 ARG HD3 H 3.044 0.020 2 419 42 42 ARG C C 177.534 0.400 1 420 42 42 ARG CA C 57.406 0.400 1 421 42 42 ARG CB C 29.949 0.400 1 422 42 42 ARG CG C 27.137 0.400 1 423 42 42 ARG CD C 42.658 0.400 1 424 42 42 ARG N N 116.631 0.400 1 425 43 43 GLN H H 7.639 0.020 1 426 43 43 GLN HA H 4.364 0.020 1 427 43 43 GLN HB2 H 1.520 0.020 1 428 43 43 GLN HB3 H 2.243 0.020 1 429 43 43 GLN HG2 H 2.099 0.020 2 430 43 43 GLN HG3 H 2.043 0.020 2 431 43 43 GLN C C 173.422 0.400 1 432 43 43 GLN CA C 54.577 0.400 1 433 43 43 GLN CB C 29.176 0.400 1 434 43 43 GLN CG C 33.341 0.400 1 435 43 43 GLN N N 114.040 0.400 1 436 44 44 ASP H H 7.578 0.020 1 437 44 44 ASP HA H 4.284 0.020 1 438 44 44 ASP HB2 H 2.919 0.020 1 439 44 44 ASP HB3 H 2.378 0.020 1 440 44 44 ASP C C 174.092 0.400 1 441 44 44 ASP CA C 55.414 0.400 1 442 44 44 ASP CB C 38.825 0.400 1 443 44 44 ASP N N 116.827 0.400 1 444 45 45 PHE H H 8.009 0.020 1 445 45 45 PHE HA H 4.810 0.020 1 446 45 45 PHE HB2 H 2.463 0.020 1 447 45 45 PHE HB3 H 3.057 0.020 1 448 45 45 PHE HD1 H 7.051 0.020 1 449 45 45 PHE HD2 H 7.051 0.020 1 450 45 45 PHE HE1 H 7.215 0.020 1 451 45 45 PHE HE2 H 7.215 0.020 1 452 45 45 PHE C C 174.579 0.400 1 453 45 45 PHE CA C 56.461 0.400 1 454 45 45 PHE CB C 43.873 0.400 1 455 45 45 PHE CD1 C 131.524 0.400 1 456 45 45 PHE CE1 C 131.293 0.400 1 457 45 45 PHE N N 116.027 0.400 1 458 46 46 ASN H H 9.184 0.020 1 459 46 46 ASN HA H 5.192 0.020 1 460 46 46 ASN HB2 H 2.880 0.020 2 461 46 46 ASN HB3 H 3.143 0.020 2 462 46 46 ASN C C 175.060 0.400 1 463 46 46 ASN CA C 50.055 0.400 1 464 46 46 ASN CB C 39.253 0.400 1 465 46 46 ASN N N 121.804 0.400 1 466 47 47 PRO HA H 4.635 0.020 1 467 47 47 PRO HB2 H 2.177 0.020 1 468 47 47 PRO HB3 H 2.177 0.020 1 469 47 47 PRO HG2 H 2.266 0.020 1 470 47 47 PRO HG3 H 2.164 0.020 1 471 47 47 PRO HD2 H 4.220 0.020 1 472 47 47 PRO HD3 H 4.030 0.020 1 473 47 47 PRO C C 177.618 0.400 1 474 47 47 PRO CA C 65.688 0.400 1 475 47 47 PRO CB C 32.168 0.400 1 476 47 47 PRO CG C 27.464 0.400 1 477 47 47 PRO CD C 51.138 0.400 1 478 48 48 SER H H 7.871 0.020 1 479 48 48 SER HA H 4.300 0.020 1 480 48 48 SER HB2 H 3.899 0.020 2 481 48 48 SER HB3 H 3.950 0.020 2 482 48 48 SER C C 175.335 0.400 1 483 48 48 SER CA C 60.663 0.400 1 484 48 48 SER CB C 63.202 0.400 1 485 48 48 SER N N 110.572 0.400 1 486 49 49 GLU H H 7.735 0.020 1 487 49 49 GLU HA H 4.112 0.020 1 488 49 49 GLU HB2 H 1.991 0.020 1 489 49 49 GLU HB3 H 1.862 0.020 1 490 49 49 GLU HG2 H 2.129 0.020 1 491 49 49 GLU HG3 H 2.129 0.020 1 492 49 49 GLU C C 176.010 0.400 1 493 49 49 GLU CA C 56.169 0.400 1 494 49 49 GLU CB C 30.437 0.400 1 495 49 49 GLU CG C 37.201 0.400 1 496 49 49 GLU N N 117.918 0.400 1 497 50 50 TYR H H 7.558 0.020 1 498 50 50 TYR HA H 4.999 0.020 1 499 50 50 TYR HB2 H 2.348 0.020 1 500 50 50 TYR HB3 H 2.972 0.020 1 501 50 50 TYR HD1 H 6.893 0.020 1 502 50 50 TYR HD2 H 6.893 0.020 1 503 50 50 TYR HE1 H 6.757 0.020 1 504 50 50 TYR HE2 H 6.757 0.020 1 505 50 50 TYR C C 172.409 0.400 1 506 50 50 TYR CA C 58.893 0.400 1 507 50 50 TYR CB C 44.186 0.400 1 508 50 50 TYR CD1 C 133.121 0.400 1 509 50 50 TYR CE1 C 118.119 0.400 1 510 50 50 TYR N N 118.290 0.400 1 511 51 51 ASP H H 9.132 0.020 1 512 51 51 ASP HA H 5.085 0.020 1 513 51 51 ASP HB2 H 2.273 0.020 1 514 51 51 ASP HB3 H 2.777 0.020 1 515 51 51 ASP C C 177.020 0.400 1 516 51 51 ASP CA C 53.029 0.400 1 517 51 51 ASP CB C 46.551 0.400 1 518 51 51 ASP N N 119.212 0.400 1 519 52 52 LEU H H 9.653 0.020 1 520 52 52 LEU HA H 5.220 0.020 1 521 52 52 LEU HB2 H 1.734 0.020 1 522 52 52 LEU HB3 H 1.275 0.020 1 523 52 52 LEU HG H 1.686 0.020 1 524 52 52 LEU HD1 H 0.776 0.020 2 525 52 52 LEU HD2 H 0.776 0.020 2 526 52 52 LEU C C 175.072 0.400 1 527 52 52 LEU CA C 53.488 0.400 1 528 52 52 LEU CB C 46.619 0.400 1 529 52 52 LEU CG C 26.481 0.400 1 530 52 52 LEU CD1 C 25.372 0.400 1 531 52 52 LEU N N 116.740 0.400 1 532 53 53 LYS H H 9.156 0.020 1 533 53 53 LYS HA H 5.274 0.020 1 534 53 53 LYS HB2 H 1.474 0.020 1 535 53 53 LYS HB3 H 1.690 0.020 1 536 53 53 LYS HG2 H 1.158 0.020 1 537 53 53 LYS HG3 H 1.158 0.020 1 538 53 53 LYS HD2 H 1.571 0.020 1 539 53 53 LYS HD3 H 1.571 0.020 1 540 53 53 LYS HE2 H 2.889 0.020 1 541 53 53 LYS HE3 H 2.717 0.020 1 542 53 53 LYS C C 175.156 0.400 1 543 53 53 LYS CA C 54.627 0.400 1 544 53 53 LYS CB C 37.510 0.400 1 545 53 53 LYS CG C 25.319 0.400 1 546 53 53 LYS CD C 30.254 0.400 1 547 53 53 LYS CE C 41.760 0.400 1 548 53 53 LYS N N 121.471 0.400 1 549 54 54 PHE H H 8.612 0.020 1 550 54 54 PHE HA H 5.120 0.020 1 551 54 54 PHE HB2 H 2.834 0.020 2 552 54 54 PHE HB3 H 2.980 0.020 2 553 54 54 PHE HD1 H 7.403 0.020 1 554 54 54 PHE HD2 H 7.403 0.020 1 555 54 54 PHE HE1 H 7.188 0.020 1 556 54 54 PHE HE2 H 7.188 0.020 1 557 54 54 PHE C C 174.623 0.400 1 558 54 54 PHE CA C 56.002 0.400 1 559 54 54 PHE CB C 42.573 0.400 1 560 54 54 PHE CD1 C 132.466 0.400 1 561 54 54 PHE CE1 C 133.379 0.400 1 562 54 54 PHE N N 123.177 0.400 1 563 55 55 GLN H H 9.246 0.020 1 564 55 55 GLN HA H 3.504 0.020 1 565 55 55 GLN HB2 H 1.956 0.020 2 566 55 55 GLN HB3 H 1.744 0.020 2 567 55 55 GLN HG2 H 1.623 0.020 2 568 55 55 GLN HG3 H 1.041 0.020 2 569 55 55 GLN C C 175.379 0.400 1 570 55 55 GLN CA C 58.182 0.400 1 571 55 55 GLN CB C 25.383 0.400 1 572 55 55 GLN CG C 33.514 0.400 1 573 55 55 GLN N N 125.119 0.400 1 574 56 56 ARG H H 8.309 0.020 1 575 56 56 ARG HA H 4.332 0.020 1 576 56 56 ARG HB2 H 1.848 0.020 1 577 56 56 ARG HB3 H 2.113 0.020 1 578 56 56 ARG HG2 H 1.587 0.020 1 579 56 56 ARG HG3 H 1.587 0.020 1 580 56 56 ARG HD2 H 3.182 0.020 1 581 56 56 ARG HD3 H 3.182 0.020 1 582 56 56 ARG C C 176.374 0.400 1 583 56 56 ARG CA C 56.695 0.400 1 584 56 56 ARG CB C 30.150 0.400 1 585 56 56 ARG CG C 27.603 0.400 1 586 56 56 ARG CD C 43.396 0.400 1 587 56 56 ARG N N 118.518 0.400 1 588 57 57 THR H H 8.435 0.020 1 589 57 57 THR HA H 4.483 0.020 1 590 57 57 THR HB H 4.306 0.020 1 591 57 57 THR HG2 H 1.260 0.020 1 592 57 57 THR C C 173.423 0.400 1 593 57 57 THR CA C 62.426 0.400 1 594 57 57 THR CB C 71.158 0.400 1 595 57 57 THR CG2 C 21.675 0.400 1 596 57 57 THR N N 118.192 0.400 1 597 58 58 VAL H H 8.726 0.020 1 598 58 58 VAL HA H 4.159 0.020 1 599 58 58 VAL HB H 1.995 0.020 1 600 58 58 VAL HG1 H 0.945 0.020 2 601 58 58 VAL HG2 H 0.945 0.020 2 602 58 58 VAL C C 176.315 0.400 1 603 58 58 VAL CA C 63.653 0.400 1 604 58 58 VAL CB C 31.590 0.400 1 605 58 58 VAL CG1 C 21.986 0.400 1 606 58 58 VAL N N 128.077 0.400 1 607 59 59 LEU H H 8.685 0.020 1 608 59 59 LEU HA H 4.366 0.020 1 609 59 59 LEU HB2 H 1.649 0.020 1 610 59 59 LEU HB3 H 1.221 0.020 1 611 59 59 LEU HG H 1.779 0.020 1 612 59 59 LEU HD1 H 0.938 0.020 2 613 59 59 LEU HD2 H 0.865 0.020 2 614 59 59 LEU C C 176.541 0.400 1 615 59 59 LEU CA C 54.710 0.400 1 616 59 59 LEU CB C 43.217 0.400 1 617 59 59 LEU CG C 27.154 0.400 1 618 59 59 LEU CD1 C 22.980 0.400 1 619 59 59 LEU CD2 C 22.954 0.400 1 620 59 59 LEU N N 128.546 0.400 1 621 60 60 ASP H H 8.328 0.020 1 622 60 60 ASP HA H 4.595 0.020 1 623 60 60 ASP HB2 H 2.639 0.020 1 624 60 60 ASP HB3 H 2.998 0.020 1 625 60 60 ASP C C 176.481 0.400 1 626 60 60 ASP CA C 53.142 0.400 1 627 60 60 ASP CB C 40.240 0.400 1 628 60 60 ASP N N 121.175 0.400 1 629 61 61 LEU H H 8.459 0.020 1 630 61 61 LEU HA H 4.126 0.020 1 631 61 61 LEU HB2 H 1.914 0.020 1 632 61 61 LEU HB3 H 1.361 0.020 1 633 61 61 LEU HG H 2.166 0.020 1 634 61 61 LEU HD1 H 0.793 0.020 2 635 61 61 LEU HD2 H 1.114 0.020 2 636 61 61 LEU C C 176.716 0.400 1 637 61 61 LEU CA C 56.188 0.400 1 638 61 61 LEU CB C 40.810 0.400 1 639 61 61 LEU CG C 26.772 0.400 1 640 61 61 LEU CD1 C 23.557 0.400 1 641 61 61 LEU CD2 C 27.223 0.400 1 642 61 61 LEU N N 124.242 0.400 1 643 62 62 SER H H 8.690 0.020 1 644 62 62 SER HA H 4.424 0.020 1 645 62 62 SER HB2 H 4.052 0.020 1 646 62 62 SER HB3 H 3.902 0.020 1 647 62 62 SER C C 175.339 0.400 1 648 62 62 SER CA C 59.432 0.400 1 649 62 62 SER CB C 64.359 0.400 1 650 62 62 SER N N 113.065 0.400 1 651 63 63 LEU H H 7.414 0.020 1 652 63 63 LEU HA H 4.374 0.020 1 653 63 63 LEU HB2 H 1.834 0.020 1 654 63 63 LEU HB3 H 1.357 0.020 1 655 63 63 LEU HG H 1.753 0.020 1 656 63 63 LEU HD1 H 0.861 0.020 2 657 63 63 LEU HD2 H 1.046 0.020 2 658 63 63 LEU C C 177.578 0.400 1 659 63 63 LEU CA C 55.257 0.400 1 660 63 63 LEU CB C 43.471 0.400 1 661 63 63 LEU CG C 26.507 0.400 1 662 63 63 LEU CD1 C 22.960 0.400 1 663 63 63 LEU CD2 C 23.030 0.400 1 664 63 63 LEU N N 122.593 0.400 1 665 64 64 GLN H H 8.042 0.020 1 666 64 64 GLN HA H 4.778 0.020 1 667 64 64 GLN HB2 H 1.904 0.020 1 668 64 64 GLN HB3 H 2.444 0.020 1 669 64 64 GLN HG2 H 2.710 0.020 2 670 64 64 GLN HG3 H 2.401 0.020 2 671 64 64 GLN C C 178.571 0.400 1 672 64 64 GLN CA C 55.451 0.400 1 673 64 64 GLN CB C 30.525 0.400 1 674 64 64 GLN CG C 34.717 0.400 1 675 64 64 GLN N N 117.997 0.400 1 676 65 65 TRP H H 9.372 0.020 1 677 65 65 TRP HA H 3.979 0.020 1 678 65 65 TRP HB2 H 3.121 0.020 1 679 65 65 TRP HB3 H 3.565 0.020 1 680 65 65 TRP HD1 H 6.761 0.020 1 681 65 65 TRP HE3 H 7.095 0.020 1 682 65 65 TRP HZ2 H 7.148 0.020 1 683 65 65 TRP HZ3 H 6.653 0.020 1 684 65 65 TRP HH2 H 6.925 0.020 1 685 65 65 TRP C C 178.834 0.400 1 686 65 65 TRP CA C 61.142 0.400 1 687 65 65 TRP CB C 29.614 0.400 1 688 65 65 TRP CD1 C 126.015 0.400 1 689 65 65 TRP CE3 C 118.406 0.400 1 690 65 65 TRP CZ2 C 114.840 0.400 1 691 65 65 TRP CZ3 C 122.187 0.400 1 692 65 65 TRP CH2 C 125.560 0.400 1 693 65 65 TRP N N 124.604 0.400 1 694 66 66 ARG H H 8.765 0.020 1 695 66 66 ARG HA H 4.053 0.020 1 696 66 66 ARG HB2 H 1.706 0.020 2 697 66 66 ARG HB3 H 1.557 0.020 2 698 66 66 ARG HG2 H 0.077 0.020 2 699 66 66 ARG HG3 H 1.003 0.020 2 700 66 66 ARG HD2 H 2.629 0.020 2 701 66 66 ARG HD3 H 2.779 0.020 2 702 66 66 ARG C C 176.523 0.400 1 703 66 66 ARG CA C 57.997 0.400 1 704 66 66 ARG CB C 29.512 0.400 1 705 66 66 ARG CG C 24.829 0.400 1 706 66 66 ARG CD C 43.729 0.400 1 707 66 66 ARG N N 113.233 0.400 1 708 67 67 PHE H H 7.757 0.020 1 709 67 67 PHE HA H 5.087 0.020 1 710 67 67 PHE HB2 H 2.748 0.020 1 711 67 67 PHE HB3 H 3.625 0.020 1 712 67 67 PHE HD1 H 7.345 0.020 1 713 67 67 PHE HD2 H 7.345 0.020 1 714 67 67 PHE HE1 H 7.132 0.020 1 715 67 67 PHE HE2 H 7.132 0.020 1 716 67 67 PHE C C 175.517 0.400 1 717 67 67 PHE CA C 56.325 0.400 1 718 67 67 PHE CB C 40.390 0.400 1 719 67 67 PHE CD1 C 131.469 0.400 1 720 67 67 PHE CE1 C 133.194 0.400 1 721 67 67 PHE N N 118.550 0.400 1 722 68 68 ALA H H 7.523 0.020 1 723 68 68 ALA HA H 4.144 0.020 1 724 68 68 ALA HB H 1.150 0.020 1 725 68 68 ALA C C 175.823 0.400 1 726 68 68 ALA CA C 53.149 0.400 1 727 68 68 ALA CB C 18.945 0.400 1 728 68 68 ALA N N 121.342 0.400 1 729 69 69 ASN H H 8.156 0.020 1 730 69 69 ASN HA H 4.029 0.020 1 731 69 69 ASN HB2 H 2.986 0.020 1 732 69 69 ASN HB3 H 2.571 0.020 1 733 69 69 ASN C C 173.800 0.400 1 734 69 69 ASN CA C 53.801 0.400 1 735 69 69 ASN CB C 37.139 0.400 1 736 69 69 ASN N N 113.501 0.400 1 737 70 70 LEU H H 7.668 0.020 1 738 70 70 LEU HA H 4.365 0.020 1 739 70 70 LEU HB2 H 0.811 0.020 1 740 70 70 LEU HB3 H 0.589 0.020 1 741 70 70 LEU HG H 1.172 0.020 1 742 70 70 LEU HD1 H 0.600 0.020 2 743 70 70 LEU HD2 H 0.171 0.020 2 744 70 70 LEU C C 174.113 0.400 1 745 70 70 LEU CA C 50.674 0.400 1 746 70 70 LEU CB C 43.115 0.400 1 747 70 70 LEU CG C 25.802 0.400 1 748 70 70 LEU CD1 C 26.508 0.400 1 749 70 70 LEU CD2 C 23.411 0.400 1 750 70 70 LEU N N 118.386 0.400 1 751 71 71 PRO HA H 4.467 0.020 1 752 71 71 PRO HB2 H 2.018 0.020 2 753 71 71 PRO HB3 H 2.263 0.020 2 754 71 71 PRO HG2 H 1.903 0.020 2 755 71 71 PRO HG3 H 2.248 0.020 2 756 71 71 PRO HD2 H 2.948 0.020 2 757 71 71 PRO HD3 H 3.560 0.020 2 758 71 71 PRO C C 176.192 0.400 1 759 71 71 PRO CA C 61.684 0.400 1 760 71 71 PRO CB C 32.158 0.400 1 761 71 71 PRO CG C 26.980 0.400 1 762 71 71 PRO CD C 50.365 0.400 1 763 72 72 ASN H H 8.527 0.020 1 764 72 72 ASN HA H 4.694 0.020 1 765 72 72 ASN HB2 H 2.904 0.020 1 766 72 72 ASN HB3 H 2.783 0.020 1 767 72 72 ASN C C 176.694 0.400 1 768 72 72 ASN CA C 54.383 0.400 1 769 72 72 ASN CB C 38.077 0.400 1 770 72 72 ASN N N 117.086 0.400 1 771 73 73 ASN H H 8.800 0.020 1 772 73 73 ASN HA H 4.421 0.020 1 773 73 73 ASN HB2 H 2.962 0.020 2 774 73 73 ASN HB3 H 2.902 0.020 2 775 73 73 ASN C C 174.917 0.400 1 776 73 73 ASN CA C 54.707 0.400 1 777 73 73 ASN CB C 37.044 0.400 1 778 73 73 ASN N N 117.843 0.400 1 779 74 74 ALA H H 7.498 0.020 1 780 74 74 ALA HA H 4.111 0.020 1 781 74 74 ALA HB H 1.412 0.020 1 782 74 74 ALA C C 175.612 0.400 1 783 74 74 ALA CA C 53.708 0.400 1 784 74 74 ALA CB C 19.407 0.400 1 785 74 74 ALA N N 120.565 0.400 1 786 75 75 LYS H H 8.217 0.020 1 787 75 75 LYS HA H 4.865 0.020 1 788 75 75 LYS HB2 H 1.922 0.020 2 789 75 75 LYS HB3 H 1.962 0.020 2 790 75 75 LYS HG2 H 1.341 0.020 2 791 75 75 LYS HG3 H 1.699 0.020 2 792 75 75 LYS HD2 H 1.749 0.020 1 793 75 75 LYS HD3 H 1.749 0.020 1 794 75 75 LYS HE2 H 3.035 0.020 1 795 75 75 LYS HE3 H 3.035 0.020 1 796 75 75 LYS C C 175.578 0.400 1 797 75 75 LYS CA C 55.741 0.400 1 798 75 75 LYS CB C 32.219 0.400 1 799 75 75 LYS CG C 25.306 0.400 1 800 75 75 LYS CD C 29.554 0.400 1 801 75 75 LYS CE C 42.066 0.400 1 802 75 75 LYS N N 121.372 0.400 1 803 76 76 LEU H H 9.087 0.020 1 804 76 76 LEU HA H 5.375 0.020 1 805 76 76 LEU HB2 H 1.946 0.020 1 806 76 76 LEU HB3 H 1.416 0.020 1 807 76 76 LEU HG H 1.860 0.020 1 808 76 76 LEU HD1 H 0.832 0.020 2 809 76 76 LEU HD2 H 0.957 0.020 2 810 76 76 LEU C C 177.139 0.400 1 811 76 76 LEU CA C 52.890 0.400 1 812 76 76 LEU CB C 44.659 0.400 1 813 76 76 LEU CG C 27.625 0.400 1 814 76 76 LEU CD1 C 26.081 0.400 1 815 76 76 LEU CD2 C 24.599 0.400 1 816 76 76 LEU N N 123.679 0.400 1 817 77 77 GLU H H 9.105 0.020 1 818 77 77 GLU HA H 4.920 0.020 1 819 77 77 GLU HB2 H 1.911 0.020 2 820 77 77 GLU HB3 H 2.008 0.020 2 821 77 77 GLU HG2 H 2.203 0.020 1 822 77 77 GLU HG3 H 2.203 0.020 1 823 77 77 GLU C C 175.621 0.400 1 824 77 77 GLU CA C 55.638 0.400 1 825 77 77 GLU CB C 33.371 0.400 1 826 77 77 GLU CG C 36.530 0.400 1 827 77 77 GLU N N 120.664 0.400 1 828 78 78 MET H H 8.074 0.020 1 829 78 78 MET HA H 5.179 0.020 1 830 78 78 MET HB2 H 1.603 0.020 2 831 78 78 MET HB3 H 1.770 0.020 2 832 78 78 MET HG2 H 2.062 0.020 1 833 78 78 MET HG3 H 2.062 0.020 1 834 78 78 MET HE H 0.873 0.020 1 835 78 78 MET C C 175.641 0.400 1 836 78 78 MET CA C 55.777 0.400 1 837 78 78 MET CB C 34.911 0.400 1 838 78 78 MET CG C 31.517 0.400 1 839 78 78 MET CE C 16.510 0.400 1 840 78 78 MET N N 122.483 0.400 1 841 79 79 VAL H H 8.829 0.020 1 842 79 79 VAL HA H 5.063 0.020 1 843 79 79 VAL HB H 2.161 0.020 1 844 79 79 VAL HG1 H 0.815 0.020 2 845 79 79 VAL HG2 H 0.921 0.020 2 846 79 79 VAL C C 172.274 0.400 1 847 79 79 VAL CA C 57.942 0.400 1 848 79 79 VAL CB C 34.232 0.400 1 849 79 79 VAL CG1 C 19.542 0.400 1 850 79 79 VAL CG2 C 22.055 0.400 1 851 79 79 VAL N N 120.254 0.400 1 852 80 80 PRO HA H 4.304 0.020 1 853 80 80 PRO HB2 H 1.826 0.020 2 854 80 80 PRO HB3 H 2.292 0.020 2 855 80 80 PRO HG2 H 2.035 0.020 2 856 80 80 PRO HG3 H 2.175 0.020 2 857 80 80 PRO HD2 H 3.991 0.020 2 858 80 80 PRO HD3 H 3.742 0.020 2 859 80 80 PRO C C 177.613 0.400 1 860 80 80 PRO CA C 63.321 0.400 1 861 80 80 PRO CB C 32.072 0.400 1 862 80 80 PRO CG C 28.203 0.400 1 863 80 80 PRO CD C 50.912 0.400 1 864 81 81 VAL H H 7.656 0.020 1 865 81 81 VAL HA H 3.993 0.020 1 866 81 81 VAL HB H 1.775 0.020 1 867 81 81 VAL HG1 H 0.755 0.020 2 868 81 81 VAL C C 176.034 0.400 1 869 81 81 VAL CA C 62.447 0.400 1 870 81 81 VAL CB C 32.451 0.400 1 871 81 81 VAL CG1 C 20.571 0.400 1 872 81 81 VAL N N 121.470 0.400 1 873 82 82 SER H H 8.418 0.020 1 874 82 82 SER HA H 4.434 0.020 1 875 82 82 SER HB2 H 3.867 0.020 1 876 82 82 SER HB3 H 3.867 0.020 1 877 82 82 SER C C 174.621 0.400 1 878 82 82 SER CA C 58.716 0.400 1 879 82 82 SER CB C 63.739 0.400 1 880 82 82 SER N N 118.765 0.400 1 881 83 83 ARG H H 8.132 0.020 1 882 83 83 ARG HA H 4.452 0.020 1 883 83 83 ARG HB2 H 1.763 0.020 2 884 83 83 ARG HB3 H 1.877 0.020 2 885 83 83 ARG HG2 H 1.606 0.020 1 886 83 83 ARG HG3 H 1.606 0.020 1 887 83 83 ARG HD2 H 3.168 0.020 1 888 83 83 ARG HD3 H 3.168 0.020 1 889 83 83 ARG C C 175.938 0.400 1 890 83 83 ARG CA C 55.594 0.400 1 891 83 83 ARG CB C 31.205 0.400 1 892 83 83 ARG CG C 27.030 0.400 1 893 83 83 ARG CD C 43.388 0.400 1 894 83 83 ARG N N 123.090 0.400 1 895 84 84 SER H H 8.423 0.020 1 896 84 84 SER HA H 4.347 0.020 1 897 84 84 SER HB2 H 3.881 0.020 2 898 84 84 SER HB3 H 3.835 0.020 2 899 84 84 SER C C 174.890 0.400 1 900 84 84 SER CA C 58.853 0.400 1 901 84 84 SER CB C 63.634 0.400 1 902 84 84 SER N N 117.722 0.400 1 903 85 85 ARG H H 8.538 0.020 1 904 85 85 ARG HA H 4.390 0.020 1 905 85 85 ARG HB2 H 1.724 0.020 2 906 85 85 ARG HB3 H 1.888 0.020 2 907 85 85 ARG HG2 H 1.624 0.020 1 908 85 85 ARG HG3 H 1.624 0.020 1 909 85 85 ARG HD2 H 3.184 0.020 1 910 85 85 ARG HD3 H 3.184 0.020 1 911 85 85 ARG C C 176.299 0.400 1 912 85 85 ARG CA C 56.313 0.400 1 913 85 85 ARG CB C 30.947 0.400 1 914 85 85 ARG CG C 27.371 0.400 1 915 85 85 ARG CD C 43.492 0.400 1 916 85 85 ARG N N 123.733 0.400 1 917 86 86 GLU H H 8.375 0.020 1 918 86 86 GLU HA H 4.334 0.020 1 919 86 86 GLU HB2 H 2.087 0.020 2 920 86 86 GLU HB3 H 1.930 0.020 2 921 86 86 GLU HG2 H 2.268 0.020 1 922 86 86 GLU HG3 H 2.268 0.020 1 923 86 86 GLU C C 176.530 0.400 1 924 86 86 GLU CA C 56.574 0.400 1 925 86 86 GLU CB C 30.618 0.400 1 926 86 86 GLU CG C 36.362 0.400 1 927 86 86 GLU N N 121.675 0.400 1 928 87 87 GLY H H 8.254 0.020 1 929 87 87 GLY HA2 H 4.141 0.020 2 930 87 87 GLY HA3 H 4.091 0.020 2 931 87 87 GLY C C 171.853 0.400 1 932 87 87 GLY CA C 44.627 0.400 1 933 87 87 GLY N N 110.181 0.400 1 934 88 88 PRO HA H 4.464 0.020 1 935 88 88 PRO HB2 H 2.292 0.020 2 936 88 88 PRO HB3 H 1.987 0.020 2 937 88 88 PRO HG2 H 2.022 0.020 1 938 88 88 PRO HG3 H 2.022 0.020 1 939 88 88 PRO HD2 H 3.634 0.020 1 940 88 88 PRO HD3 H 3.634 0.020 1 941 88 88 PRO C C 177.186 0.400 1 942 88 88 PRO CA C 63.245 0.400 1 943 88 88 PRO CB C 32.243 0.400 1 944 88 88 PRO CG C 27.224 0.400 1 945 88 88 PRO CD C 49.857 0.400 1 946 89 89 GLU H H 8.594 0.020 1 947 89 89 GLU HA H 4.273 0.020 1 948 89 89 GLU HB2 H 2.096 0.020 2 949 89 89 GLU HB3 H 1.939 0.020 2 950 89 89 GLU HG2 H 2.278 0.020 1 951 89 89 GLU HG3 H 2.278 0.020 1 952 89 89 GLU C C 175.560 0.400 1 953 89 89 GLU CA C 56.800 0.400 1 954 89 89 GLU CB C 30.350 0.400 1 955 89 89 GLU CG C 36.378 0.400 1 956 89 89 GLU N N 121.209 0.400 1 957 90 90 ASN H H 7.960 0.020 1 958 90 90 ASN HA H 4.450 0.020 1 959 90 90 ASN HB2 H 2.673 0.020 2 960 90 90 ASN HB3 H 2.761 0.020 2 961 90 90 ASN C C 179.485 0.400 1 962 90 90 ASN CA C 54.852 0.400 1 963 90 90 ASN CB C 40.638 0.400 1 964 90 90 ASN N N 124.668 0.400 1 stop_ save_