data_28042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ubiquitin receptor protein complex ; _BMRB_accession_number 28042 _BMRB_flat_file_name bmr28042.str _Entry_type original _Submission_date 2019-11-13 _Accession_date 2019-11-13 _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 Lu Xiuxiu . . 2 Walters Kylie J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1626 "13C chemical shifts" 1165 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-03 update BMRB 'update entry citation' 2020-03-03 original author 'original release' stop_ _Original_release_date 2019-11-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; An Extended Conformation for K48 Ubiquitin Chains Revealed by the hRpn2:Rpn13:K48-Diubiquitin Structure ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32160516 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Xiuxiu . . 2 Ebelle Danielle L. . 3 Matsuo Hiroshi . . 4 Walters Kylie J. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 28 _Journal_issue 5 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 495 _Page_last 506.e3 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ubiquitin receptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin receptor, chain A' $ubiquitin_receptor_A 'ubiquitin receptor, chain B' $ubiquitin_receptor_B 'ubiquitin receptor, chain C' $ubiquitin_receptor_C 'ubiquitin receptor, chain D' $ubiquitin_receptor_D 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_ubiquitin_receptor_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ubiquitin_receptor_A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; GPGSMTTSGALFPSLVPGSR GASNKYLVEFRAGKMSLKGT TVTPDKRKGLVYIQQTDDSL IHFCWKDRTSGNVEDDLIIF PDDCEFKRVPQCPSGRVYVL KFKAGSKRLFFWMQEPKTDQ DEEHCRKVNEYLNNPP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 PRO 3 -1 GLY 4 0 SER 5 1 MET 6 2 THR 7 3 THR 8 4 SER 9 5 GLY 10 6 ALA 11 7 LEU 12 8 PHE 13 9 PRO 14 10 SER 15 11 LEU 16 12 VAL 17 13 PRO 18 14 GLY 19 15 SER 20 16 ARG 21 17 GLY 22 18 ALA 23 19 SER 24 20 ASN 25 21 LYS 26 22 TYR 27 23 LEU 28 24 VAL 29 25 GLU 30 26 PHE 31 27 ARG 32 28 ALA 33 29 GLY 34 30 LYS 35 31 MET 36 32 SER 37 33 LEU 38 34 LYS 39 35 GLY 40 36 THR 41 37 THR 42 38 VAL 43 39 THR 44 40 PRO 45 41 ASP 46 42 LYS 47 43 ARG 48 44 LYS 49 45 GLY 50 46 LEU 51 47 VAL 52 48 TYR 53 49 ILE 54 50 GLN 55 51 GLN 56 52 THR 57 53 ASP 58 54 ASP 59 55 SER 60 56 LEU 61 57 ILE 62 58 HIS 63 59 PHE 64 60 CYS 65 61 TRP 66 62 LYS 67 63 ASP 68 64 ARG 69 65 THR 70 66 SER 71 67 GLY 72 68 ASN 73 69 VAL 74 70 GLU 75 71 ASP 76 72 ASP 77 73 LEU 78 74 ILE 79 75 ILE 80 76 PHE 81 77 PRO 82 78 ASP 83 79 ASP 84 80 CYS 85 81 GLU 86 82 PHE 87 83 LYS 88 84 ARG 89 85 VAL 90 86 PRO 91 87 GLN 92 88 CYS 93 89 PRO 94 90 SER 95 91 GLY 96 92 ARG 97 93 VAL 98 94 TYR 99 95 VAL 100 96 LEU 101 97 LYS 102 98 PHE 103 99 LYS 104 100 ALA 105 101 GLY 106 102 SER 107 103 LYS 108 104 ARG 109 105 LEU 110 106 PHE 111 107 PHE 112 108 TRP 113 109 MET 114 110 GLN 115 111 GLU 116 112 PRO 117 113 LYS 118 114 THR 119 115 ASP 120 116 GLN 121 117 ASP 122 118 GLU 123 119 GLU 124 120 HIS 125 121 CYS 126 122 ARG 127 123 LYS 128 124 VAL 129 125 ASN 130 126 GLU 131 127 TYR 132 128 LEU 133 129 ASN 134 130 ASN 135 131 PRO 136 132 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_ubiquitin_receptor_B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ubiquitin_receptor_B _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 36 _Mol_residue_sequence ; MPGALGASGSSGHELSALGP GSQEPEPPEPFEYIDD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 918 MET 2 919 PRO 3 920 GLY 4 921 ALA 5 922 LEU 6 923 GLY 7 924 ALA 8 925 SER 9 926 GLY 10 927 SER 11 928 SER 12 929 GLY 13 930 HIS 14 931 GLU 15 932 LEU 16 933 SER 17 934 ALA 18 935 LEU 19 936 GLY 20 937 PRO 21 938 GLY 22 939 SER 23 940 GLN 24 941 GLU 25 942 PRO 26 943 GLU 27 944 PRO 28 945 PRO 29 946 GLU 30 947 PRO 31 948 PHE 32 949 GLU 33 950 TYR 34 951 ILE 35 952 ASP 36 953 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_ubiquitin_receptor_C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ubiquitin_receptor_C _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 77 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGGD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY 77 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_ubiquitin_receptor_D _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ubiquitin_receptor_D _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGRQLEDGRTLSDYN IQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 ARG 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ubiquitin_receptor_A 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 $ubiquitin_receptor_A 'recombinant technology' . Escherichia coli . pRSET 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 $ubiquitin_receptor_A 0.6 mM [U-13C] $ubiquitin_receptor_B 0.6 mM 'natural abundance' $ubiquitin_receptor_C 0.72 mM [U-13C] $ubiquitin_receptor_D 0.72 mM [U-13C] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ubiquitin_receptor_A 0.6 mM [U-13C] $ubiquitin_receptor_B 0.6 mM 'natural abundance' $ubiquitin_receptor_C 0.72 mM [U-13C] $ubiquitin_receptor_D 0.72 mM [U-13C] stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_half-filtered_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D half-filtered 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_half-filtered_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D half-filtered 1H-13C NOESY' _Sample_label $sample_2 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' 0.11 . M pH 6.5 . pH pressure 1 . atm temperature 298.15 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '3D 1H-13C NOESY' '3D half-filtered 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ubiquitin receptor, chain A' _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 20 24 ASN HA H 4.509 0.012 . 2 20 24 ASN HB2 H 2.498 0.008 . 3 20 24 ASN HB3 H 2.498 0.008 . 4 20 24 ASN HD21 H 6.800 0.002 . 5 20 24 ASN HD22 H 7.399 0.003 . 6 20 24 ASN C C 174.264 0.000 . 7 20 24 ASN CA C 52.908 0.000 . 8 20 24 ASN CB C 38.679 0.000 . 9 20 24 ASN N N 120.374 0.000 . 10 20 24 ASN ND2 N 112.514 0.000 . 11 21 25 LYS H H 7.970 0.000 . 12 21 25 LYS HA H 4.042 0.006 . 13 21 25 LYS HB2 H 1.586 0.007 . 14 21 25 LYS HB3 H 1.480 0.003 . 15 21 25 LYS HG2 H 1.15 0.007 . 16 21 25 LYS HG3 H 1.15 0.007 . 17 21 25 LYS HD2 H 1.504 0.004 . 18 21 25 LYS HD3 H 1.504 0.004 . 19 21 25 LYS HE2 H 2.842 0.009 . 20 21 25 LYS HE3 H 2.842 0.009 . 21 21 25 LYS C C 175.817 0.000 . 22 21 25 LYS CA C 55.848 0.000 . 23 21 25 LYS CB C 32.784 0.000 . 24 21 25 LYS CG C 24.191 0.000 . 25 21 25 LYS CD C 28.865 0.000 . 26 21 25 LYS CE C 41.575 0.000 . 27 21 25 LYS N N 120.843 0.000 . 28 22 26 TYR H H 8.145 0.000 . 29 22 26 TYR HA H 4.917 0.007 . 30 22 26 TYR HB2 H 3.104 0.007 . 31 22 26 TYR HB3 H 2.624 0.005 . 32 22 26 TYR HD1 H 6.637 0.004 . 33 22 26 TYR HD2 H 6.637 0.004 . 34 22 26 TYR HE1 H 6.015 0.002 . 35 22 26 TYR HE2 H 6.015 0.002 . 36 22 26 TYR C C 176.354 0.000 . 37 22 26 TYR CA C 54.831 0.000 . 38 22 26 TYR CB C 37.546 0.000 . 39 22 26 TYR CD1 C 131.381 0.000 . 40 22 26 TYR CD2 C 131.381 0.000 . 41 22 26 TYR CE1 C 117.389 0.000 . 42 22 26 TYR CE2 C 117.389 0.000 . 43 22 26 TYR N N 122.249 0.000 . 44 23 27 LEU H H 8.61 0.000 . 45 23 27 LEU HA H 3.927 0.005 . 46 23 27 LEU HB2 H 1.016 0.004 . 47 23 27 LEU HB3 H 0.497 0.006 . 48 23 27 LEU HG H 1.576 0.000 . 49 23 27 LEU HD1 H 0.509 0.008 . 50 23 27 LEU HD2 H 0.588 0.009 . 51 23 27 LEU C C 176.957 0.000 . 52 23 27 LEU CA C 57.099 0.000 . 53 23 27 LEU CB C 41.378 0.000 . 54 23 27 LEU CG C 26.487 0.000 . 55 23 27 LEU CD1 C 25.608 0.037 . 56 23 27 LEU CD2 C 22.034 0.018 . 57 23 27 LEU N N 123.177 0.000 . 58 24 28 VAL H H 7.073 0.000 . 59 24 28 VAL HA H 4.390 0.000 . 60 24 28 VAL HB H 2.148 0.001 . 61 24 28 VAL HG1 H 1.131 0.007 . 62 24 28 VAL HG2 H 0.865 0.000 . 63 24 28 VAL C C 171.829 0.000 . 64 24 28 VAL CA C 60.327 0.000 . 65 24 28 VAL CB C 34.573 0.000 . 66 24 28 VAL CG1 C 22.551 0.000 . 67 24 28 VAL CG2 C 20.236 0.000 . 68 24 28 VAL N N 112.163 0.000 . 69 25 29 GLU H H 8.092 0.000 . 70 25 29 GLU HA H 5.272 0.007 . 71 25 29 GLU HB2 H 1.916 0.000 . 72 25 29 GLU HB3 H 1.798 0.000 . 73 25 29 GLU HG2 H 2.007 0.007 . 74 25 29 GLU HG3 H 1.913 0.000 . 75 25 29 GLU C C 174.085 0.000 . 76 25 29 GLU CA C 54.748 0.000 . 77 25 29 GLU CB C 33.318 0.000 . 78 25 29 GLU CG C 35.507 0.000 . 79 25 29 GLU N N 123.421 0.000 . 80 26 30 PHE H H 8.269 0.000 . 81 26 30 PHE HA H 4.532 0.000 . 82 26 30 PHE HB2 H 2.495 0.000 . 83 26 30 PHE HB3 H 2.315 0.000 . 84 26 30 PHE HD1 H 6.524 0.002 . 85 26 30 PHE HD2 H 6.524 0.002 . 86 26 30 PHE HE1 H 6.600 0.002 . 87 26 30 PHE HE2 H 6.600 0.002 . 88 26 30 PHE C C 173.199 0.000 . 89 26 30 PHE CA C 56.173 0.000 . 90 26 30 PHE CB C 38.648 0.000 . 91 26 30 PHE CD1 C 127.653 0.000 . 92 26 30 PHE CD2 C 127.653 0.000 . 93 26 30 PHE CE1 C 128.970 0.000 . 94 26 30 PHE CE2 C 128.970 0.000 . 95 26 30 PHE N N 115.209 0.000 . 96 27 31 ARG H H 9.997 0.000 . 97 27 31 ARG HA H 4.515 0.004 . 98 27 31 ARG HB2 H 1.819 0.011 . 99 27 31 ARG HB3 H 1.544 0.006 . 100 27 31 ARG HG2 H 1.823 0.004 . 101 27 31 ARG HG3 H 1.353 0.009 . 102 27 31 ARG HD2 H 3.175 0.008 . 103 27 31 ARG HD3 H 2.938 0.005 . 104 27 31 ARG C C 176.124 0.000 . 105 27 31 ARG CA C 56.742 0.000 . 106 27 31 ARG CB C 31.210 0.000 . 107 27 31 ARG CG C 27.635 0.000 . 108 27 31 ARG CD C 43.871 0.000 . 109 27 31 ARG N N 121.068 0.000 . 110 28 32 ALA H H 7.994 0.000 . 111 28 32 ALA HA H 4.673 0.000 . 112 28 32 ALA HB H 1.597 0.000 . 113 28 32 ALA C C 176.046 0.000 . 114 28 32 ALA CA C 52.719 0.000 . 115 28 32 ALA CB C 22.050 0.000 . 116 28 32 ALA N N 125.989 0.000 . 117 29 33 GLY H H 8.704 0.000 . 118 29 33 GLY HA2 H 4.521 0.000 . 119 29 33 GLY HA3 H 2.822 0.007 . 120 29 33 GLY C C 173.573 0.000 . 121 29 33 GLY CA C 42.887 0.000 . 122 29 33 GLY N N 108.882 0.000 . 123 30 34 LYS H H 9.442 0.000 . 124 30 34 LYS HA H 4.835 0.004 . 125 30 34 LYS HB2 H 1.113 0.009 . 126 30 34 LYS HB3 H 1.113 0.009 . 127 30 34 LYS HG2 H 0.525 0.010 . 128 30 34 LYS HG3 H -0.065 0.015 . 129 30 34 LYS HD2 H 0.777 0.034 . 130 30 34 LYS HD3 H 0.678 0.010 . 131 30 34 LYS HE2 H 1.603 0.000 . 132 30 34 LYS HE3 H 2.106 0.000 . 133 30 34 LYS C C 176.700 0.000 . 134 30 34 LYS CA C 55.848 0.000 . 135 30 34 LYS CB C 34.495 0.000 . 136 30 34 LYS CG C 24.519 0.000 . 137 30 34 LYS CD C 28.966 0.010 . 138 30 34 LYS CE C 39.766 0.061 . 139 30 34 LYS N N 118.724 0.000 . 140 31 35 MET H H 7.307 0.000 . 141 31 35 MET HA H 4.776 0.000 . 142 31 35 MET HB2 H 1.814 0.006 . 143 31 35 MET HB3 H 1.373 0.009 . 144 31 35 MET HG2 H 2.442 0.006 . 145 31 35 MET HG3 H 2.375 0.019 . 146 31 35 MET HE H 1.671 0.007 . 147 31 35 MET C C 173.863 0.000 . 148 31 35 MET CA C 54.127 0.000 . 149 31 35 MET CB C 36.089 0.000 . 150 31 35 MET CG C 33.539 0.000 . 151 31 35 MET CE C 18.283 0.000 . 152 31 35 MET N N 114.037 0.000 . 153 32 36 SER H H 8.760 0.000 . 154 32 36 SER HA H 4.764 0.000 . 155 32 36 SER HB2 H 3.687 0.002 . 156 32 36 SER HB3 H 3.647 0.002 . 157 32 36 SER C C 171.650 0.000 . 158 32 36 SER CA C 56.873 0.000 . 159 32 36 SER CB C 64.760 0.000 . 160 32 36 SER N N 115.443 0.000 . 161 33 37 LEU H H 8.574 0.000 . 162 33 37 LEU HA H 4.629 0.000 . 163 33 37 LEU HB2 H 1.823 0.000 . 164 33 37 LEU HB3 H 1.136 0.000 . 165 33 37 LEU HG H 1.228 0.000 . 166 33 37 LEU HD1 H 0.942 0.006 . 167 33 37 LEU HD2 H 0.542 0.000 . 168 33 37 LEU C C 175.682 0.000 . 169 33 37 LEU CA C 53.971 0.000 . 170 33 37 LEU CB C 43.935 0.000 . 171 33 37 LEU CG C 27.650 0.000 . 172 33 37 LEU CD1 C 26.082 0.000 . 173 33 37 LEU CD2 C 23.704 0.000 . 174 33 37 LEU N N 125.989 0.000 . 175 34 38 LYS H H 8.593 0.000 . 176 34 38 LYS HA H 4.440 0.000 . 177 34 38 LYS HB2 H 1.775 0.000 . 178 34 38 LYS HB3 H 1.628 0.000 . 179 34 38 LYS HG2 H 1.343 0.003 . 180 34 38 LYS HG3 H 1.259 0.007 . 181 34 38 LYS HD2 H 1.652 0.002 . 182 34 38 LYS HD3 H 1.652 0.002 . 183 34 38 LYS HE2 H 2.926 0.000 . 184 34 38 LYS HE3 H 2.926 0.000 . 185 34 38 LYS C C 176.114 0.000 . 186 34 38 LYS CA C 55.853 0.000 . 187 34 38 LYS CB C 33.635 0.000 . 188 34 38 LYS CG C 24.619 0.000 . 189 34 38 LYS CD C 28.865 0.000 . 190 34 38 LYS CE C 41.821 0.000 . 191 34 38 LYS N N 129.738 0.000 . 192 35 39 GLY H H 8.992 0.000 . 193 35 39 GLY HA2 H 4.184 0.000 . 194 35 39 GLY HA3 H 3.606 0.000 . 195 35 39 GLY C C 174.026 0.000 . 196 35 39 GLY CA C 46.646 0.000 . 197 35 39 GLY N N 117.552 0.000 . 198 36 40 THR H H 8.775 0.000 . 199 36 40 THR HA H 4.455 0.000 . 200 36 40 THR HB H 4.637 0.000 . 201 36 40 THR HG2 H 1.153 0.000 . 202 36 40 THR C C 173.018 0.000 . 203 36 40 THR CA C 61.501 0.000 . 204 36 40 THR CB C 69.035 0.000 . 205 36 40 THR CG2 C 21.432 0.000 . 206 36 40 THR N N 118.490 0.000 . 207 37 41 THR H H 8.047 0.000 . 208 37 41 THR HA H 4.446 0.005 . 209 37 41 THR HB H 3.891 0.004 . 210 37 41 THR HG2 H 0.923 0.007 . 211 37 41 THR C C 173.594 0.000 . 212 37 41 THR CA C 62.697 0.000 . 213 37 41 THR CB C 69.926 0.000 . 214 37 41 THR CG2 C 21.649 0.000 . 215 37 41 THR N N 119.896 0.000 . 216 38 42 VAL H H 8.908 0.000 . 217 38 42 VAL HA H 4.228 0.000 . 218 38 42 VAL HB H 0.103 0.006 . 219 38 42 VAL HG1 H -0.169 0.000 . 220 38 42 VAL HG2 H -0.432 0.000 . 221 38 42 VAL C C 174.948 0.000 . 222 38 42 VAL CA C 60.554 0.000 . 223 38 42 VAL CB C 30.182 0.000 . 224 38 42 VAL CG1 C 23.402 0.000 . 225 38 42 VAL CG2 C 22.257 0.000 . 226 38 42 VAL N N 132.082 0.000 . 227 39 43 THR H H 8.483 0.000 . 228 39 43 THR HA H 4.556 0.000 . 229 39 43 THR HB H 3.830 0.000 . 230 39 43 THR HG2 H 1.174 0.000 . 231 39 43 THR C C 173.522 0.000 . 232 39 43 THR CA C 58.641 0.000 . 233 39 43 THR CB C 70.638 0.000 . 234 39 43 THR CG2 C 20.751 0.000 . 235 39 43 THR N N 119.761 0.000 . 236 40 44 PRO HA H 4.311 0.000 . 237 40 44 PRO HB2 H 1.416 0.000 . 238 40 44 PRO HB3 H 1.329 0.004 . 239 40 44 PRO HG2 H 2.247 0.000 . 240 40 44 PRO HG3 H 1.941 0.000 . 241 40 44 PRO HD2 H 3.822 0.000 . 242 40 44 PRO HD3 H 3.140 0.000 . 243 40 44 PRO C C 174.741 0.000 . 244 40 44 PRO CA C 63.649 0.000 . 245 40 44 PRO CB C 31.755 0.000 . 246 40 44 PRO CG C 26.323 0.000 . 247 40 44 PRO CD C 50.741 0.000 . 248 41 45 ASP H H 8.727 0.000 . 249 41 45 ASP HA H 4.855 0.000 . 250 41 45 ASP HB2 H 3.001 0.000 . 251 41 45 ASP HB3 H 2.330 0.000 . 252 41 45 ASP C C 177.425 0.000 . 253 41 45 ASP CA C 53.110 0.000 . 254 41 45 ASP CB C 42.555 0.000 . 255 41 45 ASP N N 123.890 0.000 . 256 42 46 LYS H H 8.888 0.000 . 257 42 46 LYS HA H 4.472 0.003 . 258 42 46 LYS HB2 H 2.134 0.003 . 259 42 46 LYS HB3 H 1.923 0.009 . 260 42 46 LYS HG2 H 1.559 0.000 . 261 42 46 LYS HG3 H 1.380 0.003 . 262 42 46 LYS HD2 H 1.754 0.000 . 263 42 46 LYS HD3 H 1.754 0.000 . 264 42 46 LYS HE2 H 3.005 0.000 . 265 42 46 LYS HE3 H 2.976 0.001 . 266 42 46 LYS C C 176.877 0.000 . 267 42 46 LYS CA C 58.567 0.000 . 268 42 46 LYS CB C 32.696 0.000 . 269 42 46 LYS CG C 25.667 0.000 . 270 42 46 LYS CD C 29.275 0.000 . 271 42 46 LYS CE C 41.656 0.000 . 272 42 46 LYS N N 124.583 0.000 . 273 43 47 ARG H H 8.375 0.000 . 274 43 47 ARG HA H 4.292 0.005 . 275 43 47 ARG HB2 H 2.301 0.005 . 276 43 47 ARG HB3 H 1.973 0.012 . 277 43 47 ARG HG2 H 2.124 0.002 . 278 43 47 ARG HG3 H 2.078 0.002 . 279 43 47 ARG HD2 H 3.579 0.005 . 280 43 47 ARG HD3 H 3.482 0.009 . 281 43 47 ARG HE H 8.100 0.008 . 282 43 47 ARG C C 178.908 0.000 . 283 43 47 ARG CA C 57.960 0.000 . 284 43 47 ARG CB C 30.910 0.000 . 285 43 47 ARG CG C 26.897 0.000 . 286 43 47 ARG CD C 43.707 0.000 . 287 43 47 ARG N N 118.256 0.000 . 288 43 47 ARG NE N 83.062 0.000 . 289 44 48 LYS H H 8.712 0.000 . 290 44 48 LYS HA H 4.315 0.000 . 291 44 48 LYS HB2 H 1.736 0.000 . 292 44 48 LYS HB3 H 1.414 0.000 . 293 44 48 LYS HG2 H 1.698 0.006 . 294 44 48 LYS HG3 H 1.516 0.003 . 295 44 48 LYS HD2 H 1.619 0.004 . 296 44 48 LYS HD3 H 1.619 0.004 . 297 44 48 LYS HE2 H 2.990 0.003 . 298 44 48 LYS HE3 H 2.990 0.003 . 299 44 48 LYS C C 176.964 0.000 . 300 44 48 LYS CA C 56.473 0.000 . 301 44 48 LYS CB C 32.832 0.000 . 302 44 48 LYS CG C 25.257 0.000 . 303 44 48 LYS CD C 29.193 0.000 . 304 44 48 LYS CE C 41.840 0.000 . 305 44 48 LYS N N 122.708 0.000 . 306 45 49 GLY H H 9.366 0.000 . 307 45 49 GLY HA2 H 4.866 0.000 . 308 45 49 GLY HA3 H 4.165 0.000 . 309 45 49 GLY C C 174.357 0.000 . 310 45 49 GLY CA C 45.482 0.000 . 311 45 49 GLY N N 113.100 0.000 . 312 46 50 LEU H H 8.092 0.000 . 313 46 50 LEU HA H 4.644 0.000 . 314 46 50 LEU HB2 H 1.431 0.000 . 315 46 50 LEU HB3 H 0.779 0.000 . 316 46 50 LEU HG H 1.128 0.000 . 317 46 50 LEU HD1 H 0.573 0.008 . 318 46 50 LEU HD2 H 0.616 0.010 . 319 46 50 LEU C C 174.255 0.000 . 320 46 50 LEU CA C 54.362 0.000 . 321 46 50 LEU CB C 47.635 0.000 . 322 46 50 LEU CG C 26.323 0.000 . 323 46 50 LEU CD1 C 25.831 0.000 . 324 46 50 LEU CD2 C 24.191 0.000 . 325 46 50 LEU N N 125.754 0.000 . 326 47 51 VAL H H 8.451 0.000 . 327 47 51 VAL HA H 4.378 0.005 . 328 47 51 VAL HB H 0.068 0.000 . 329 47 51 VAL HG1 H 0.323 0.007 . 330 47 51 VAL HG2 H -0.521 0.000 . 331 47 51 VAL C C 174.516 0.000 . 332 47 51 VAL CA C 59.511 0.000 . 333 47 51 VAL CB C 31.914 0.000 . 334 47 51 VAL CG1 C 24.367 0.000 . 335 47 51 VAL CG2 C 21.735 0.000 . 336 47 51 VAL N N 126.223 0.000 . 337 48 52 TYR H H 7.647 0.000 . 338 48 52 TYR HA H 4.731 0.007 . 339 48 52 TYR HB2 H 2.351 0.008 . 340 48 52 TYR HB3 H 2.190 0.009 . 341 48 52 TYR HD1 H 5.820 0.000 . 342 48 52 TYR HD2 H 5.820 0.000 . 343 48 52 TYR HE1 H 6.108 0.000 . 344 48 52 TYR HE2 H 6.108 0.000 . 345 48 52 TYR C C 172.039 0.000 . 346 48 52 TYR CA C 55.259 0.000 . 347 48 52 TYR CB C 40.283 0.000 . 348 48 52 TYR CD1 C 132.585 0.000 . 349 48 52 TYR CD2 C 132.585 0.000 . 350 48 52 TYR CE1 C 116.957 0.000 . 351 48 52 TYR CE2 C 116.957 0.000 . 352 48 52 TYR N N 118.490 0.000 . 353 49 53 ILE H H 7.536 0.000 . 354 49 53 ILE HA H 5.138 0.000 . 355 49 53 ILE HB H 1.407 0.000 . 356 49 53 ILE HG12 H 1.218 0.006 . 357 49 53 ILE HG13 H 0.958 0.005 . 358 49 53 ILE HG2 H 0.771 0.000 . 359 49 53 ILE HD1 H 0.805 0.007 . 360 49 53 ILE C C 174.746 0.000 . 361 49 53 ILE CA C 58.116 0.000 . 362 49 53 ILE CB C 39.736 0.000 . 363 49 53 ILE CG1 C 28.127 0.000 . 364 49 53 ILE CG2 C 18.050 0.000 . 365 49 53 ILE CD1 C 14.915 0.000 . 366 49 53 ILE N N 116.146 0.000 . 367 50 54 GLN H H 9.021 0.000 . 368 50 54 GLN HA H 5.024 0.000 . 369 50 54 GLN HB2 H 2.314 0.000 . 370 50 54 GLN HB3 H 1.908 0.000 . 371 50 54 GLN HE21 H 6.742 0.003 . 372 50 54 GLN HE22 H 7.222 0.001 . 373 50 54 GLN C C 173.032 0.000 . 374 50 54 GLN CA C 53.267 0.000 . 375 50 54 GLN CB C 33.478 0.000 . 376 50 54 GLN N N 127.640 0.000 . 377 50 54 GLN NE2 N 110.281 0.000 . 378 51 55 GLN H H 9.136 0.000 . 379 51 55 GLN HA H 5.732 0.000 . 380 51 55 GLN HB2 H 2.192 0.000 . 381 51 55 GLN HB3 H 1.502 0.000 . 382 51 55 GLN HG2 H 2.347 0.007 . 383 51 55 GLN HG3 H 2.086 0.009 . 384 51 55 GLN HE21 H 7.082 0.003 . 385 51 55 GLN HE22 H 7.364 0.003 . 386 51 55 GLN C C 176.748 0.000 . 387 51 55 GLN CA C 53.561 0.000 . 388 51 55 GLN CB C 30.633 0.000 . 389 51 55 GLN CG C 33.375 0.000 . 390 51 55 GLN N N 127.875 0.000 . 391 51 55 GLN NE2 N 109.970 0.000 . 392 52 56 THR H H 9.051 0.000 . 393 52 56 THR HA H 4.427 0.000 . 394 52 56 THR HB H 4.574 0.000 . 395 52 56 THR HG2 H 0.813 0.000 . 396 52 56 THR C C 177.108 0.000 . 397 52 56 THR CA C 61.557 0.000 . 398 52 56 THR CB C 69.457 0.000 . 399 52 56 THR CG2 C 23.371 0.000 . 400 52 56 THR N N 118.483 0.000 . 401 53 57 ASP H H 8.806 0.000 . 402 53 57 ASP HA H 4.325 0.006 . 403 53 57 ASP HB2 H 2.698 0.000 . 404 53 57 ASP HB3 H 2.698 0.000 . 405 53 57 ASP C C 175.754 0.000 . 406 53 57 ASP CA C 57.334 0.000 . 407 53 57 ASP CB C 39.397 0.000 . 408 53 57 ASP N N 120.599 0.000 . 409 54 58 ASP H H 7.878 0.000 . 410 54 58 ASP HA H 4.486 0.007 . 411 54 58 ASP HB2 H 3.072 0.000 . 412 54 58 ASP HB3 H 2.651 0.000 . 413 54 58 ASP C C 176.402 0.000 . 414 54 58 ASP CA C 53.580 0.000 . 415 54 58 ASP CB C 39.899 0.000 . 416 54 58 ASP N N 118.256 0.000 . 417 55 59 SER HA H 4.004 0.000 . 418 55 59 SER HB2 H 4.320 0.006 . 419 55 59 SER HB3 H 4.040 0.006 . 420 55 59 SER C C 173.680 0.000 . 421 55 59 SER CA C 61.545 0.000 . 422 55 59 SER CB C 62.875 0.000 . 423 56 60 LEU HA H 4.077 0.003 . 424 56 60 LEU HB2 H 1.720 0.009 . 425 56 60 LEU HB3 H 1.903 0.006 . 426 56 60 LEU HG H 1.439 0.000 . 427 56 60 LEU HD1 H 0.845 0.002 . 428 56 60 LEU HD2 H 0.770 0.007 . 429 56 60 LEU C C 174.818 0.000 . 430 56 60 LEU CA C 54.941 0.000 . 431 56 60 LEU CB C 41.877 0.000 . 432 56 60 LEU CG C 27.143 0.000 . 433 56 60 LEU CD1 C 25.854 0.000 . 434 56 60 LEU CD2 C 22.157 0.000 . 435 57 61 ILE H H 8.346 0.000 . 436 57 61 ILE HA H 4.541 0.011 . 437 57 61 ILE HB H 2.207 0.007 . 438 57 61 ILE HG12 H 1.722 0.005 . 439 57 61 ILE HG13 H 1.581 0.006 . 440 57 61 ILE HG2 H 0.694 0.000 . 441 57 61 ILE HD1 H 0.654 0.000 . 442 57 61 ILE C C 174.329 0.000 . 443 57 61 ILE CA C 57.870 0.000 . 444 57 61 ILE CB C 36.189 0.000 . 445 57 61 ILE CG1 C 25.585 0.000 . 446 57 61 ILE CG2 C 17.386 0.000 . 447 57 61 ILE CD1 C 9.696 0.000 . 448 57 61 ILE N N 121.536 0.000 . 449 58 62 HIS H H 8.948 0.000 . 450 58 62 HIS HA H 5.262 0.000 . 451 58 62 HIS HB2 H 2.874 0.004 . 452 58 62 HIS HB3 H 2.905 0.001 . 453 58 62 HIS HD2 H 7.186 0.002 . 454 58 62 HIS HE1 H 8.345 0.003 . 455 58 62 HIS C C 173.565 0.000 . 456 58 62 HIS CA C 52.794 0.000 . 457 58 62 HIS CB C 29.904 0.000 . 458 58 62 HIS CD2 C 119.360 0.000 . 459 58 62 HIS CE1 C 133.887 0.000 . 460 58 62 HIS N N 123.421 0.000 . 461 59 63 PHE H H 9.652 0.000 . 462 59 63 PHE HA H 4.517 0.000 . 463 59 63 PHE HB2 H 3.194 0.010 . 464 59 63 PHE HB3 H 2.395 0.006 . 465 59 63 PHE HD1 H 6.757 0.004 . 466 59 63 PHE HD2 H 6.757 0.004 . 467 59 63 PHE HE1 H 6.559 0.080 . 468 59 63 PHE HE2 H 6.559 0.080 . 469 59 63 PHE HZ H 6.182 0.006 . 470 59 63 PHE C C 174.473 0.000 . 471 59 63 PHE CA C 57.412 0.000 . 472 59 63 PHE CB C 41.847 0.000 . 473 59 63 PHE CD1 C 130.948 0.000 . 474 59 63 PHE CD2 C 130.948 0.000 . 475 59 63 PHE CE1 C 130.126 0.000 . 476 59 63 PHE CE2 C 130.126 0.000 . 477 59 63 PHE CZ C 129.472 0.000 . 478 59 63 PHE N N 127.160 0.000 . 479 60 64 CYS H H 8.141 0.000 . 480 60 64 CYS HA H 5.201 0.000 . 481 60 64 CYS HB2 H 2.070 0.000 . 482 60 64 CYS HB3 H 0.412 0.000 . 483 60 64 CYS C C 172.212 0.000 . 484 60 64 CYS CA C 55.413 0.000 . 485 60 64 CYS CB C 31.523 0.000 . 486 60 64 CYS N N 125.051 0.000 . 487 61 65 TRP H H 8.267 0.000 . 488 61 65 TRP HA H 5.213 0.000 . 489 61 65 TRP HB2 H 3.912 0.006 . 490 61 65 TRP HB3 H 2.754 0.008 . 491 61 65 TRP HD1 H 6.975 0.001 . 492 61 65 TRP HE1 H 10.164 0.000 . 493 61 65 TRP HE3 H 7.558 0.002 . 494 61 65 TRP HZ2 H 7.238 0.007 . 495 61 65 TRP HZ3 H 6.870 0.002 . 496 61 65 TRP HH2 H 6.784 0.002 . 497 61 65 TRP C C 174.833 0.000 . 498 61 65 TRP CA C 57.537 0.000 . 499 61 65 TRP CB C 32.116 0.000 . 500 61 65 TRP CD1 C 126.903 0.000 . 501 61 65 TRP CE3 C 120.582 0.000 . 502 61 65 TRP CZ2 C 114.733 0.000 . 503 61 65 TRP CZ3 C 121.102 0.000 . 504 61 65 TRP CH2 C 122.381 0.000 . 505 61 65 TRP N N 118.302 0.000 . 506 61 65 TRP NE1 N 127.136 0.000 . 507 62 66 LYS H H 8.386 0.000 . 508 62 66 LYS HA H 4.810 0.000 . 509 62 66 LYS HB2 H 1.414 0.000 . 510 62 66 LYS HB3 H 1.414 0.000 . 511 62 66 LYS HG2 H 0.833 0.002 . 512 62 66 LYS HG3 H 0.782 0.003 . 513 62 66 LYS HD2 H 1.354 0.002 . 514 62 66 LYS HD3 H 1.354 0.002 . 515 62 66 LYS HE2 H 2.576 0.003 . 516 62 66 LYS HE3 H 2.545 0.004 . 517 62 66 LYS C C 171.808 0.000 . 518 62 66 LYS CA C 52.455 0.000 . 519 62 66 LYS CB C 37.816 0.000 . 520 62 66 LYS CG C 23.945 0.000 . 521 62 66 LYS CD C 29.275 0.000 . 522 62 66 LYS CE C 41.496 0.000 . 523 62 66 LYS N N 126.926 0.000 . 524 63 67 ASP H H 7.735 0.000 . 525 63 67 ASP HA H 4.000 0.004 . 526 63 67 ASP HB2 H 3.077 0.000 . 527 63 67 ASP HB3 H 2.533 0.000 . 528 63 67 ASP C C 177.597 0.000 . 529 63 67 ASP CA C 52.956 0.000 . 530 63 67 ASP CB C 42.238 0.000 . 531 63 67 ASP N N 123.411 0.000 . 532 64 68 ARG H H 8.637 0.000 . 533 64 68 ARG HA H 3.787 0.005 . 534 64 68 ARG HB2 H 1.688 0.008 . 535 64 68 ARG HB3 H 1.401 0.009 . 536 64 68 ARG HG2 H 1.496 0.000 . 537 64 68 ARG HG3 H 1.045 0.000 . 538 64 68 ARG HD2 H 3.141 0.069 . 539 64 68 ARG HD3 H 3.023 0.095 . 540 64 68 ARG C C 177.525 0.000 . 541 64 68 ARG CA C 59.055 0.000 . 542 64 68 ARG CB C 31.445 0.000 . 543 64 68 ARG CG C 30.177 0.000 . 544 64 68 ARG CD C 43.943 0.000 . 545 64 68 ARG N N 125.520 0.000 . 546 65 69 THR H H 8.963 0.000 . 547 65 69 THR HA H 4.111 0.000 . 548 65 69 THR HB H 4.361 0.000 . 549 65 69 THR HG2 H 1.259 0.000 . 550 65 69 THR C C 175.394 0.000 . 551 65 69 THR CA C 65.390 0.000 . 552 65 69 THR CB C 67.971 0.000 . 553 65 69 THR CG2 C 21.321 0.000 . 554 65 69 THR N N 116.615 0.000 . 555 66 70 SER H H 7.955 0.000 . 556 66 70 SER HA H 4.401 0.000 . 557 66 70 SER HB2 H 3.813 0.003 . 558 66 70 SER HB3 H 3.970 0.004 . 559 66 70 SER C C 175.783 0.000 . 560 66 70 SER CA C 58.507 0.000 . 561 66 70 SER CB C 64.921 0.000 . 562 66 70 SER N N 115.209 0.000 . 563 67 71 GLY H H 8.070 0.000 . 564 67 71 GLY HA2 H 4.156 0.004 . 565 67 71 GLY HA3 H 3.525 0.010 . 566 67 71 GLY C C 173.536 0.000 . 567 67 71 GLY CA C 45.525 0.000 . 568 67 71 GLY N N 111.766 0.000 . 569 68 72 ASN H H 7.913 0.000 . 570 68 72 ASN HA H 4.570 0.000 . 571 68 72 ASN HB2 H 2.698 0.000 . 572 68 72 ASN HB3 H 2.698 0.000 . 573 68 72 ASN HD21 H 7.010 0.004 . 574 68 72 ASN HD22 H 7.608 0.011 . 575 68 72 ASN C C 174.905 0.000 . 576 68 72 ASN CA C 53.814 0.000 . 577 68 72 ASN CB C 38.941 0.000 . 578 68 72 ASN N N 118.234 0.000 . 579 68 72 ASN ND2 N 112.108 0.000 . 580 69 73 VAL H H 8.786 0.000 . 581 69 73 VAL HA H 4.016 0.000 . 582 69 73 VAL HB H 2.091 0.000 . 583 69 73 VAL HG1 H 1.033 0.000 . 584 69 73 VAL HG2 H 0.888 0.000 . 585 69 73 VAL C C 175.481 0.000 . 586 69 73 VAL CA C 63.356 0.000 . 587 69 73 VAL CB C 30.792 0.000 . 588 69 73 VAL CG1 C 21.649 0.000 . 589 69 73 VAL CG2 C 21.239 0.000 . 590 69 73 VAL N N 126.692 0.000 . 591 70 74 GLU H H 8.202 0.000 . 592 70 74 GLU HA H 4.457 0.000 . 593 70 74 GLU HB2 H 2.452 0.000 . 594 70 74 GLU HB3 H 2.318 0.000 . 595 70 74 GLU HG2 H 2.498 0.000 . 596 70 74 GLU HG3 H 2.335 0.000 . 597 70 74 GLU C C 175.178 0.000 . 598 70 74 GLU CA C 57.952 0.000 . 599 70 74 GLU CB C 32.696 0.000 . 600 70 74 GLU CG C 37.786 0.000 . 601 70 74 GLU N N 129.504 0.000 . 602 71 75 ASP H H 8.030 0.000 . 603 71 75 ASP HA H 5.112 0.000 . 604 71 75 ASP HB2 H 2.739 0.000 . 605 71 75 ASP HB3 H 2.492 0.000 . 606 71 75 ASP C C 173.608 0.000 . 607 71 75 ASP CA C 53.312 0.000 . 608 71 75 ASP CB C 43.887 0.000 . 609 71 75 ASP N N 116.849 0.000 . 610 72 76 ASP H H 8.442 0.000 . 611 72 76 ASP HA H 4.985 0.000 . 612 72 76 ASP HB2 H 2.732 0.000 . 613 72 76 ASP HB3 H 2.425 0.000 . 614 72 76 ASP C C 174.789 0.000 . 615 72 76 ASP CA C 54.015 0.000 . 616 72 76 ASP CB C 41.030 0.000 . 617 72 76 ASP N N 121.302 0.000 . 618 73 77 LEU HA H 4.958 0.005 . 619 73 77 LEU HB2 H 2.090 0.004 . 620 73 77 LEU HB3 H 1.399 0.003 . 621 73 77 LEU HG H 1.865 0.004 . 622 73 77 LEU HD1 H 1.014 0.003 . 623 73 77 LEU HD2 H 1.038 0.002 . 624 73 77 LEU C C 175.653 0.000 . 625 73 77 LEU CA C 52.969 0.000 . 626 73 77 LEU CB C 45.081 0.000 . 627 73 77 LEU CG C 27.580 0.000 . 628 73 77 LEU CD1 C 24.129 0.000 . 629 73 77 LEU CD2 C 26.241 0.000 . 630 74 78 ILE HA H 4.239 0.000 . 631 74 78 ILE HB H 1.349 0.003 . 632 74 78 ILE HG12 H -0.352 0.003 . 633 74 78 ILE HG13 H -0.352 0.003 . 634 74 78 ILE HG2 H 0.423 0.006 . 635 74 78 ILE HD1 H 0.674 0.004 . 636 74 78 ILE C C 176.157 0.000 . 637 74 78 ILE CB C 38.179 0.000 . 638 74 78 ILE CG1 C 27.333 0.000 . 639 74 78 ILE CG2 C 19.445 0.000 . 640 74 78 ILE CD1 C 13.775 0.000 . 641 75 79 ILE H H 7.968 0.005 . 642 75 79 ILE HA H 4.264 0.000 . 643 75 79 ILE HG12 H 1.326 0.002 . 644 75 79 ILE HG13 H 1.403 0.003 . 645 75 79 ILE HG2 H 0.909 0.004 . 646 75 79 ILE HD1 H 0.720 0.006 . 647 75 79 ILE C C 175.322 0.000 . 648 75 79 ILE CA C 59.446 0.000 . 649 75 79 ILE CB C 40.283 0.000 . 650 75 79 ILE CG1 C 27.127 0.000 . 651 75 79 ILE CG2 C 20.304 0.000 . 652 75 79 ILE CD1 C 12.794 0.000 . 653 76 80 PHE HD1 H 6.870 0.000 . 654 76 80 PHE HD2 H 6.870 0.000 . 655 76 80 PHE HE1 H 6.957 0.003 . 656 76 80 PHE HE2 H 6.957 0.003 . 657 76 80 PHE HZ H 6.985 0.002 . 658 77 81 PRO HA H 4.772 0.002 . 659 77 81 PRO HB2 H 2.606 0.000 . 660 77 81 PRO CA C 64.555 0.000 . 661 78 82 ASP HA H 4.386 0.003 . 662 78 82 ASP HB2 H 2.995 0.006 . 663 78 82 ASP HB3 H 2.995 0.006 . 664 78 82 ASP C C 175.538 0.000 . 665 78 82 ASP CA C 56.667 0.000 . 666 78 82 ASP CB C 40.483 0.000 . 667 79 83 ASP HA H 4.766 0.004 . 668 79 83 ASP HB2 H 3.260 0.009 . 669 79 83 ASP HB3 H 2.871 0.004 . 670 79 83 ASP C C 175.869 0.000 . 671 79 83 ASP CA C 57.653 0.000 . 672 79 83 ASP CB C 42.616 0.000 . 673 80 84 CYS HA H 5.317 0.006 . 674 80 84 CYS HB2 H 2.103 0.006 . 675 80 84 CYS HB3 H 1.922 0.007 . 676 80 84 CYS C C 173.191 0.000 . 677 80 84 CYS CA C 57.188 0.000 . 678 80 84 CYS CB C 32.986 0.000 . 679 81 85 GLU H H 8.024 0.000 . 680 81 85 GLU HA H 4.510 0.000 . 681 81 85 GLU HB2 H 1.889 0.003 . 682 81 85 GLU HB3 H 1.889 0.003 . 683 81 85 GLU HG2 H 2.085 0.000 . 684 81 85 GLU HG3 H 2.085 0.000 . 685 81 85 GLU C C 172.816 0.000 . 686 81 85 GLU CA C 54.771 0.000 . 687 81 85 GLU CB C 33.951 0.000 . 688 81 85 GLU CG C 35.742 0.000 . 689 81 85 GLU N N 117.084 0.000 . 690 82 86 PHE H H 9.468 0.000 . 691 82 86 PHE HA H 6.124 0.005 . 692 82 86 PHE HB2 H 3.139 0.005 . 693 82 86 PHE HB3 H 2.579 0.010 . 694 82 86 PHE HD1 H 7.338 0.004 . 695 82 86 PHE HD2 H 7.338 0.004 . 696 82 86 PHE HE1 H 6.919 0.002 . 697 82 86 PHE HE2 H 6.919 0.002 . 698 82 86 PHE HZ H 6.584 0.002 . 699 82 86 PHE C C 175.437 0.000 . 700 82 86 PHE CA C 55.245 0.000 . 701 82 86 PHE CB C 42.169 0.000 . 702 82 86 PHE N N 128.098 0.000 . 703 83 87 LYS H H 8.957 0.000 . 704 83 87 LYS HA H 4.855 0.000 . 705 83 87 LYS HB2 H 1.691 0.000 . 706 83 87 LYS HB3 H 1.796 0.000 . 707 83 87 LYS HG2 H 1.281 0.000 . 708 83 87 LYS HG3 H 1.281 0.000 . 709 83 87 LYS HD2 H 1.610 0.004 . 710 83 87 LYS HD3 H 1.555 0.004 . 711 83 87 LYS HE2 H 2.925 0.005 . 712 83 87 LYS HE3 H 2.819 0.007 . 713 83 87 LYS C C 173.680 0.000 . 714 83 87 LYS CA C 54.736 0.000 . 715 83 87 LYS CB C 36.304 0.000 . 716 83 87 LYS CG C 23.621 0.000 . 717 83 87 LYS CD C 29.521 0.000 . 718 83 87 LYS CE C 41.739 0.000 . 719 83 87 LYS N N 124.583 0.000 . 720 84 88 ARG H H 8.745 0.000 . 721 84 88 ARG HA H 3.262 0.006 . 722 84 88 ARG HB2 H 1.598 0.003 . 723 84 88 ARG HB3 H 1.470 0.002 . 724 84 88 ARG HG2 H 1.322 0.002 . 725 84 88 ARG HG3 H 0.980 0.000 . 726 84 88 ARG HD2 H 3.007 0.005 . 727 84 88 ARG HD3 H 2.816 0.000 . 728 84 88 ARG C C 175.956 0.000 . 729 84 88 ARG CA C 55.718 0.000 . 730 84 88 ARG CB C 30.572 0.000 . 731 84 88 ARG N N 123.880 0.000 . 732 85 89 VAL H H 8.529 0.000 . 733 85 89 VAL HA H 4.447 0.004 . 734 85 89 VAL HB H 1.926 0.000 . 735 85 89 VAL HG1 H 1.080 0.000 . 736 85 89 VAL HG2 H 1.172 0.023 . 737 85 89 VAL C C 174.991 0.000 . 738 85 89 VAL CA C 59.707 0.000 . 739 85 89 VAL CB C 31.780 0.000 . 740 85 89 VAL CG1 C 22.715 0.000 . 741 85 89 VAL CG2 C 22.305 0.000 . 742 85 89 VAL N N 127.395 0.000 . 743 86 90 PRO HA H 4.281 0.004 . 744 86 90 PRO HB2 H 2.220 0.006 . 745 86 90 PRO HB3 H 1.916 0.004 . 746 86 90 PRO HD2 H 4.099 0.002 . 747 86 90 PRO HD3 H 4.027 0.006 . 748 86 90 PRO C C 173.170 0.000 . 749 86 90 PRO CA C 61.816 0.000 . 750 86 90 PRO CB C 31.825 0.000 . 751 86 90 PRO CD C 50.939 0.000 . 752 87 91 GLN H H 8.246 0.000 . 753 87 91 GLN HA H 4.078 0.006 . 754 87 91 GLN HB2 H 2.334 0.000 . 755 87 91 GLN HB3 H 1.964 0.003 . 756 87 91 GLN HG2 H 2.636 0.002 . 757 87 91 GLN HG3 H 2.520 0.002 . 758 87 91 GLN HE21 H 6.993 0.002 . 759 87 91 GLN HE22 H 7.768 0.002 . 760 87 91 GLN C C 174.113 0.000 . 761 87 91 GLN CA C 58.074 0.000 . 762 87 91 GLN CB C 27.826 0.000 . 763 87 91 GLN N N 116.368 0.000 . 764 87 91 GLN NE2 N 111.904 0.000 . 765 88 92 CYS H H 6.678 0.000 . 766 88 92 CYS HA H 4.874 0.000 . 767 88 92 CYS HB2 H 2.166 0.000 . 768 88 92 CYS HB3 H 2.166 0.000 . 769 88 92 CYS C C 173.709 0.000 . 770 88 92 CYS CA C 55.478 0.000 . 771 88 92 CYS CB C 26.412 0.000 . 772 88 92 CYS N N 117.552 0.000 . 773 89 93 PRO HD2 H 3.892 0.000 . 774 89 93 PRO HD3 H 3.803 0.000 . 775 89 93 PRO C C 175.740 0.000 . 776 89 93 PRO CA C 62.706 0.000 . 777 89 93 PRO CB C 33.870 0.000 . 778 91 95 GLY H H 7.548 0.000 . 779 91 95 GLY HA2 H 4.197 0.000 . 780 91 95 GLY HA3 H 3.741 0.000 . 781 91 95 GLY C C 172.082 0.000 . 782 91 95 GLY CA C 45.211 0.000 . 783 91 95 GLY N N 108.648 0.000 . 784 92 96 ARG HD2 H 3.298 0.005 . 785 92 96 ARG HD3 H 3.249 0.000 . 786 92 96 ARG HE H 9.919 0.003 . 787 92 96 ARG NE N 87.327 0.000 . 788 93 97 VAL HA H 5.316 0.005 . 789 93 97 VAL HB H 1.838 0.002 . 790 93 97 VAL HG1 H 1.052 0.006 . 791 93 97 VAL HG2 H 1.235 0.000 . 792 93 97 VAL C C 174.061 0.000 . 793 93 97 VAL CA C 61.401 0.000 . 794 93 97 VAL CB C 33.635 0.000 . 795 93 97 VAL CG1 C 24.034 0.000 . 796 93 97 VAL CG2 C 21.648 0.000 . 797 94 98 TYR H H 9.448 0.000 . 798 94 98 TYR HA H 4.814 0.003 . 799 94 98 TYR HB2 H 2.313 0.008 . 800 94 98 TYR HB3 H 2.313 0.008 . 801 94 98 TYR HD1 H 6.567 0.002 . 802 94 98 TYR HD2 H 6.567 0.002 . 803 94 98 TYR HE1 H 6.619 0.002 . 804 94 98 TYR HE2 H 6.619 0.002 . 805 94 98 TYR C C 173.176 0.000 . 806 94 98 TYR CA C 56.415 0.000 . 807 94 98 TYR CB C 44.350 0.000 . 808 94 98 TYR CD1 C 132.794 0.000 . 809 94 98 TYR CD2 C 132.794 0.000 . 810 94 98 TYR CE1 C 117.022 0.000 . 811 94 98 TYR CE2 C 117.022 0.000 . 812 94 98 TYR N N 126.692 0.000 . 813 95 99 VAL H H 9.205 0.000 . 814 95 99 VAL HA H 5.062 0.008 . 815 95 99 VAL HB H 1.384 0.004 . 816 95 99 VAL HG1 H 0.833 0.005 . 817 95 99 VAL HG2 H -0.161 0.000 . 818 95 99 VAL C C 172.240 0.000 . 819 95 99 VAL CA C 56.765 0.000 . 820 95 99 VAL CB C 35.981 0.000 . 821 95 99 VAL CG1 C 19.435 0.000 . 822 95 99 VAL CG2 C 21.752 0.000 . 823 95 99 VAL N N 119.427 0.000 . 824 96 100 LEU HA H 4.942 0.000 . 825 96 100 LEU HB2 H 1.101 0.000 . 826 96 100 LEU HB3 H 2.174 0.008 . 827 96 100 LEU HG H 0.820 0.000 . 828 96 100 LEU HD1 H 0.326 0.000 . 829 96 100 LEU HD2 H -0.044 0.000 . 830 96 100 LEU C C 174.055 0.000 . 831 96 100 LEU CA C 53.501 0.000 . 832 96 100 LEU CB C 43.333 0.000 . 833 96 100 LEU CG C 26.979 0.000 . 834 96 100 LEU CD1 C 23.048 0.000 . 835 96 100 LEU CD2 C 24.714 0.000 . 836 97 101 LYS HA H 4.576 0.000 . 837 97 101 LYS HB2 H 1.877 0.000 . 838 97 101 LYS HB3 H 1.566 0.000 . 839 97 101 LYS HG2 H 1.250 0.000 . 840 97 101 LYS HG3 H 1.060 0.000 . 841 97 101 LYS HD2 H 1.645 0.009 . 842 97 101 LYS HD3 H 1.609 0.006 . 843 97 101 LYS HE2 H 2.887 0.000 . 844 97 101 LYS HE3 H 2.887 0.000 . 845 97 101 LYS C C 175.538 0.000 . 846 97 101 LYS CA C 55.222 0.000 . 847 97 101 LYS CB C 34.886 0.000 . 848 97 101 LYS CG C 25.448 0.000 . 849 97 101 LYS CD C 29.849 0.000 . 850 97 101 LYS CE C 41.739 0.000 . 851 98 102 PHE HA H 4.763 0.000 . 852 98 102 PHE HB2 H 3.247 0.004 . 853 98 102 PHE HB3 H 3.082 0.000 . 854 98 102 PHE HD1 H 7.141 0.009 . 855 98 102 PHE HD2 H 7.141 0.009 . 856 98 102 PHE HE1 H 6.868 0.000 . 857 98 102 PHE HE2 H 6.868 0.000 . 858 98 102 PHE HZ H 6.942 0.003 . 859 98 102 PHE C C 175.869 0.000 . 860 98 102 PHE CA C 57.653 0.000 . 861 99 103 LYS HA H 3.964 0.000 . 862 99 103 LYS HB2 H 1.902 0.000 . 863 99 103 LYS HB3 H 1.796 0.005 . 864 99 103 LYS HG2 H 1.381 0.000 . 865 99 103 LYS HG3 H 1.381 0.000 . 866 99 103 LYS HD2 H 1.624 0.000 . 867 99 103 LYS HD3 H 1.677 0.001 . 868 99 103 LYS HE2 H 2.814 0.003 . 869 99 103 LYS HE3 H 2.830 0.000 . 870 99 103 LYS C C 177.036 0.000 . 871 99 103 LYS CA C 59.158 0.000 . 872 99 103 LYS CB C 32.255 0.000 . 873 99 103 LYS CG C 25.609 0.000 . 874 99 103 LYS CD C 28.816 0.040 . 875 99 103 LYS CE C 41.411 0.000 . 876 100 104 ALA HA H 4.672 0.003 . 877 100 104 ALA HB H 1.570 0.002 . 878 100 104 ALA C C 177.525 0.000 . 879 100 104 ALA CA C 51.490 0.000 . 880 100 104 ALA CB C 19.691 0.000 . 881 101 105 GLY HA2 H 4.133 0.001 . 882 101 105 GLY HA3 H 4.035 0.001 . 883 101 105 GLY C C 173.695 0.000 . 884 101 105 GLY CA C 45.473 0.000 . 885 102 106 SER H H 8.125 0.000 . 886 102 106 SER HA H 4.417 0.000 . 887 102 106 SER HB2 H 3.984 0.000 . 888 102 106 SER HB3 H 3.866 0.000 . 889 102 106 SER C C 174.950 0.000 . 890 102 106 SER CA C 57.996 0.000 . 891 102 106 SER CB C 63.982 0.000 . 892 102 106 SER N N 115.451 0.000 . 893 103 107 LYS HA H 4.315 0.006 . 894 103 107 LYS HG2 H 1.358 0.010 . 895 103 107 LYS HG3 H 1.358 0.010 . 896 103 107 LYS HD2 H 1.125 0.002 . 897 103 107 LYS HD3 H 1.020 0.008 . 898 103 107 LYS HE2 H 2.666 0.006 . 899 103 107 LYS HE3 H 2.666 0.006 . 900 103 107 LYS C C 177.065 0.000 . 901 103 107 LYS CA C 58.146 0.000 . 902 103 107 LYS CG C 24.868 0.000 . 903 103 107 LYS CD C 28.812 0.000 . 904 103 107 LYS CE C 41.630 0.000 . 905 104 108 ARG H H 8.428 0.000 . 906 104 108 ARG HA H 5.029 0.000 . 907 104 108 ARG HB2 H 1.653 0.005 . 908 104 108 ARG HB3 H 1.653 0.005 . 909 104 108 ARG HG2 H 1.766 0.007 . 910 104 108 ARG HG3 H 1.705 0.025 . 911 104 108 ARG HD2 H 3.245 0.000 . 912 104 108 ARG HD3 H 3.046 0.000 . 913 104 108 ARG C C 173.837 0.000 . 914 104 108 ARG CA C 54.840 0.000 . 915 104 108 ARG CB C 33.099 0.000 . 916 104 108 ARG CG C 27.881 0.000 . 917 104 108 ARG CD C 43.215 0.000 . 918 104 108 ARG N N 128.098 0.000 . 919 105 109 LEU HA H 4.769 0.007 . 920 105 109 LEU HB2 H 1.703 0.003 . 921 105 109 LEU HG H 1.713 0.038 . 922 105 109 LEU HD1 H 1.012 0.000 . 923 105 109 LEU HD2 H 1.020 0.008 . 924 105 109 LEU C C 174.026 0.000 . 925 105 109 LEU CA C 54.202 0.000 . 926 105 109 LEU CG C 28.812 0.000 . 927 105 109 LEU CD1 C 24.868 0.000 . 928 105 109 LEU CD2 C 25.585 0.000 . 929 106 110 PHE H H 8.094 0.000 . 930 106 110 PHE HA H 5.137 0.000 . 931 106 110 PHE HB2 H 2.714 0.009 . 932 106 110 PHE HB3 H 2.507 0.007 . 933 106 110 PHE HD1 H 6.886 0.002 . 934 106 110 PHE HD2 H 6.886 0.002 . 935 106 110 PHE HE1 H 6.682 0.003 . 936 106 110 PHE HE2 H 6.682 0.003 . 937 106 110 PHE HZ H 5.547 0.008 . 938 106 110 PHE C C 174.962 0.000 . 939 106 110 PHE CA C 57.350 0.000 . 940 106 110 PHE CB C 43.733 0.000 . 941 106 110 PHE CD1 C 130.619 0.000 . 942 106 110 PHE CD2 C 130.619 0.000 . 943 106 110 PHE CZ C 128.977 0.000 . 944 106 110 PHE N N 119.662 0.000 . 945 107 111 PHE H H 9.358 0.000 . 946 107 111 PHE HA H 5.854 0.000 . 947 107 111 PHE HB2 H 3.362 0.000 . 948 107 111 PHE HB3 H 2.739 0.000 . 949 107 111 PHE HD1 H 7.185 0.003 . 950 107 111 PHE HD2 H 7.185 0.003 . 951 107 111 PHE HE1 H 7.072 0.004 . 952 107 111 PHE HE2 H 7.072 0.004 . 953 107 111 PHE HZ H 7.244 0.002 . 954 107 111 PHE C C 174.170 0.000 . 955 107 111 PHE CA C 56.493 0.000 . 956 107 111 PHE CB C 44.180 0.000 . 957 107 111 PHE N N 117.084 0.000 . 958 108 112 TRP H H 9.090 0.000 . 959 108 112 TRP HA H 5.863 0.000 . 960 108 112 TRP HB2 H 3.490 0.007 . 961 108 112 TRP HB3 H 3.279 0.011 . 962 108 112 TRP HD1 H 6.895 0.004 . 963 108 112 TRP HE1 H 10.515 0.000 . 964 108 112 TRP HE3 H 7.704 0.003 . 965 108 112 TRP HZ2 H 7.760 0.002 . 966 108 112 TRP HZ3 H 7.036 0.002 . 967 108 112 TRP HH2 H 7.371 0.003 . 968 108 112 TRP C C 175.524 0.000 . 969 108 112 TRP CA C 52.918 0.000 . 970 108 112 TRP CB C 30.525 0.000 . 971 108 112 TRP CD1 C 127.472 0.000 . 972 108 112 TRP CE3 C 123.388 0.000 . 973 108 112 TRP CZ2 C 114.142 0.000 . 974 108 112 TRP CH2 C 124.497 0.000 . 975 108 112 TRP N N 118.256 0.000 . 976 108 112 TRP NE1 N 129.573 0.000 . 977 109 113 MET H H 9.250 0.000 . 978 109 113 MET HA H 4.530 0.000 . 979 109 113 MET HB2 H 2.331 0.000 . 980 109 113 MET HB3 H 2.143 0.002 . 981 109 113 MET HG2 H 2.796 0.000 . 982 109 113 MET HG3 H 2.599 0.000 . 983 109 113 MET HE H 1.390 0.000 . 984 109 113 MET C C 175.999 0.000 . 985 109 113 MET CA C 56.493 0.000 . 986 109 113 MET CB C 32.611 0.000 . 987 109 113 MET CE C 16.852 0.000 . 988 109 113 MET N N 120.599 0.000 . 989 110 114 GLN H H 8.447 0.000 . 990 110 114 GLN HA H 4.335 0.000 . 991 110 114 GLN C C 174.775 0.000 . 992 110 114 GLN CA C 53.793 0.000 . 993 110 114 GLN CB C 29.020 0.000 . 994 110 114 GLN N N 117.318 0.000 . 995 111 115 GLU H H 6.702 0.000 . 996 111 115 GLU HA H 4.372 0.007 . 997 111 115 GLU HB2 H 2.652 0.005 . 998 111 115 GLU HB3 H 1.800 0.004 . 999 111 115 GLU HG2 H 2.922 0.006 . 1000 111 115 GLU HG3 H 2.835 0.002 . 1001 111 115 GLU C C 175.927 0.000 . 1002 111 115 GLU CA C 54.283 0.000 . 1003 111 115 GLU CB C 30.350 0.000 . 1004 111 115 GLU CG C 36.124 0.038 . 1005 111 115 GLU N N 119.896 0.000 . 1006 112 116 PRO HA H 4.249 0.000 . 1007 112 116 PRO HB2 H 2.323 0.000 . 1008 112 116 PRO HB3 H 1.989 0.000 . 1009 112 116 PRO HG2 H 2.183 0.000 . 1010 112 116 PRO HG3 H 1.896 0.000 . 1011 112 116 PRO HD2 H 4.076 0.004 . 1012 112 116 PRO HD3 H 3.998 0.002 . 1013 112 116 PRO C C 177.295 0.000 . 1014 112 116 PRO CA C 65.312 0.000 . 1015 112 116 PRO CB C 33.068 0.000 . 1016 112 116 PRO CG C 27.682 0.000 . 1017 112 116 PRO CD C 48.996 0.000 . 1018 113 117 LYS H H 8.040 0.000 . 1019 113 117 LYS HA H 4.779 0.000 . 1020 113 117 LYS HB2 H 2.046 0.000 . 1021 113 117 LYS HB3 H 1.914 0.000 . 1022 113 117 LYS HG2 H 1.563 0.000 . 1023 113 117 LYS HG3 H 1.469 0.000 . 1024 113 117 LYS HD2 H 1.757 0.004 . 1025 113 117 LYS HD3 H 1.757 0.004 . 1026 113 117 LYS HE2 H 3.041 0.004 . 1027 113 117 LYS HE3 H 3.041 0.004 . 1028 113 117 LYS C C 177.754 0.000 . 1029 113 117 LYS CA C 54.518 0.000 . 1030 113 117 LYS CB C 33.587 0.000 . 1031 113 117 LYS CG C 24.929 0.000 . 1032 113 117 LYS CD C 28.976 0.000 . 1033 113 117 LYS CE C 41.903 0.000 . 1034 113 117 LYS N N 114.272 0.000 . 1035 114 118 THR H H 8.680 0.000 . 1036 114 118 THR HA H 4.331 0.005 . 1037 114 118 THR HB H 4.489 0.005 . 1038 114 118 THR HG2 H 1.233 0.003 . 1039 114 118 THR C C 177.024 0.000 . 1040 114 118 THR CA C 62.464 0.000 . 1041 114 118 THR CB C 69.539 0.000 . 1042 114 118 THR CG2 C 20.751 0.000 . 1043 114 118 THR N N 111.460 0.000 . 1044 115 119 ASP H H 8.251 0.000 . 1045 115 119 ASP HA H 4.286 0.000 . 1046 115 119 ASP HB2 H 2.723 0.002 . 1047 115 119 ASP HB3 H 2.659 0.001 . 1048 115 119 ASP C C 176.733 0.000 . 1049 115 119 ASP CA C 56.519 0.000 . 1050 115 119 ASP CB C 40.213 0.000 . 1051 115 119 ASP N N 119.662 0.000 . 1052 116 120 GLN H H 8.231 0.000 . 1053 116 120 GLN HA H 4.417 0.000 . 1054 116 120 GLN HB2 H 1.734 0.000 . 1055 116 120 GLN HB3 H 1.628 0.000 . 1056 116 120 GLN HG2 H 2.178 0.000 . 1057 116 120 GLN HG3 H 2.111 0.000 . 1058 116 120 GLN HE21 H 6.774 0.007 . 1059 116 120 GLN HE22 H 7.481 0.003 . 1060 116 120 GLN C C 175.153 0.000 . 1061 116 120 GLN CA C 55.022 0.000 . 1062 116 120 GLN CB C 29.398 0.000 . 1063 116 120 GLN CG C 34.422 0.000 . 1064 116 120 GLN N N 115.209 0.000 . 1065 116 120 GLN NE2 N 112.514 0.000 . 1066 117 121 ASP H H 7.638 0.002 . 1067 117 121 ASP HA H 3.987 0.001 . 1068 117 121 ASP HB2 H 3.004 0.001 . 1069 117 121 ASP HB3 H 2.838 0.002 . 1070 117 121 ASP C C 177.381 0.000 . 1071 117 121 ASP CA C 58.820 0.000 . 1072 117 121 ASP CB C 38.989 0.000 . 1073 117 121 ASP N N 122.471 0.009 . 1074 118 122 GLU H H 8.329 0.000 . 1075 118 122 GLU HA H 4.079 0.000 . 1076 118 122 GLU HB2 H 2.059 0.008 . 1077 118 122 GLU HB3 H 2.417 0.000 . 1078 118 122 GLU HG2 H 2.320 0.000 . 1079 118 122 GLU C C 179.239 0.000 . 1080 118 122 GLU CA C 59.229 0.000 . 1081 118 122 GLU CB C 28.885 0.000 . 1082 118 122 GLU CG C 36.831 0.000 . 1083 118 122 GLU N N 116.849 0.000 . 1084 119 123 GLU H H 7.932 0.000 . 1085 119 123 GLU HA H 4.171 0.007 . 1086 119 123 GLU HB2 H 1.988 0.001 . 1087 119 123 GLU HB3 H 1.746 0.006 . 1088 119 123 GLU HG2 H 2.217 0.002 . 1089 119 123 GLU HG3 H 2.158 0.010 . 1090 119 123 GLU C C 178.332 0.000 . 1091 119 123 GLU CA C 58.740 0.000 . 1092 119 123 GLU CB C 28.842 0.000 . 1093 119 123 GLU CG C 35.096 0.000 . 1094 119 123 GLU N N 122.942 0.000 . 1095 120 124 HIS H H 8.594 0.000 . 1096 120 124 HIS HA H 4.238 0.001 . 1097 120 124 HIS HD2 H 6.585 0.002 . 1098 120 124 HIS HE1 H 7.615 0.002 . 1099 120 124 HIS C C 176.575 0.000 . 1100 120 124 HIS CA C 58.815 0.000 . 1101 120 124 HIS CB C 28.397 0.000 . 1102 120 124 HIS CD2 C 120.475 0.000 . 1103 120 124 HIS CE1 C 138.017 0.000 . 1104 120 124 HIS N N 118.734 0.000 . 1105 121 125 CYS H H 7.936 0.000 . 1106 121 125 CYS HA H 3.988 0.000 . 1107 121 125 CYS HB2 H 3.240 0.000 . 1108 121 125 CYS HB3 H 2.610 0.000 . 1109 121 125 CYS C C 176.503 0.000 . 1110 121 125 CYS CA C 62.110 0.000 . 1111 121 125 CYS CB C 26.439 0.000 . 1112 121 125 CYS N N 117.562 0.000 . 1113 122 126 ARG H H 8.482 0.000 . 1114 122 126 ARG HA H 4.181 0.000 . 1115 122 126 ARG HB2 H 2.023 0.000 . 1116 122 126 ARG HB3 H 2.023 0.000 . 1117 122 126 ARG HG2 H 1.777 0.000 . 1118 122 126 ARG HG3 H 1.576 0.000 . 1119 122 126 ARG HD2 H 3.182 0.000 . 1120 122 126 ARG HD3 H 3.282 0.000 . 1121 122 126 ARG HE H 7.725 0.000 . 1122 122 126 ARG C C 179.642 0.000 . 1123 122 126 ARG CA C 60.036 0.000 . 1124 122 126 ARG CB C 30.010 0.000 . 1125 122 126 ARG CG C 27.635 0.000 . 1126 122 126 ARG CD C 42.887 0.000 . 1127 122 126 ARG N N 120.609 0.000 . 1128 122 126 ARG NE N 83.469 0.000 . 1129 123 127 LYS H H 8.643 0.000 . 1130 123 127 LYS HA H 3.818 0.000 . 1131 123 127 LYS HB2 H 2.157 0.000 . 1132 123 127 LYS HB3 H 1.755 0.004 . 1133 123 127 LYS HG2 H 1.792 0.007 . 1134 123 127 LYS HG3 H 1.477 0.009 . 1135 123 127 LYS HD2 H 1.906 0.004 . 1136 123 127 LYS HD3 H 1.732 0.005 . 1137 123 127 LYS HE2 H 3.049 0.000 . 1138 123 127 LYS HE3 H 3.049 0.000 . 1139 123 127 LYS C C 178.015 0.000 . 1140 123 127 LYS CA C 59.377 0.000 . 1141 123 127 LYS CB C 32.696 0.000 . 1142 123 127 LYS CG C 26.211 0.056 . 1143 123 127 LYS CD C 29.439 0.000 . 1144 123 127 LYS CE C 42.395 0.000 . 1145 123 127 LYS N N 118.959 0.000 . 1146 124 128 VAL H H 8.167 0.000 . 1147 124 128 VAL HA H 3.435 0.000 . 1148 124 128 VAL HB H 2.057 0.000 . 1149 124 128 VAL HG1 H 0.738 0.004 . 1150 124 128 VAL HG2 H 0.340 0.000 . 1151 124 128 VAL C C 176.834 0.000 . 1152 124 128 VAL CA C 67.267 0.000 . 1153 124 128 VAL CB C 31.048 0.000 . 1154 124 128 VAL CG1 C 22.678 0.000 . 1155 124 128 VAL CG2 C 21.381 0.000 . 1156 124 128 VAL N N 118.021 0.000 . 1157 125 129 ASN H H 7.511 0.000 . 1158 125 129 ASN HA H 4.233 0.000 . 1159 125 129 ASN HB2 H 2.892 0.000 . 1160 125 129 ASN HB3 H 2.813 0.000 . 1161 125 129 ASN HD21 H 8.933 0.000 . 1162 125 129 ASN HD22 H 7.446 0.000 . 1163 125 129 ASN C C 177.122 0.000 . 1164 125 129 ASN CA C 58.116 0.000 . 1165 125 129 ASN CB C 39.892 0.000 . 1166 125 129 ASN N N 113.569 0.000 . 1167 125 129 ASN ND2 N 120.029 0.000 . 1168 126 130 GLU H H 8.431 0.000 . 1169 126 130 GLU HA H 3.989 0.000 . 1170 126 130 GLU HB2 H 1.905 0.000 . 1171 126 130 GLU HB3 H 1.725 0.005 . 1172 126 130 GLU HG2 H 2.155 0.004 . 1173 126 130 GLU HG3 H 1.918 0.004 . 1174 126 130 GLU C C 178.346 0.000 . 1175 126 130 GLU CA C 59.359 0.000 . 1176 126 130 GLU CB C 29.333 0.000 . 1177 126 130 GLU CG C 35.413 0.000 . 1178 126 130 GLU N N 119.662 0.000 . 1179 127 131 TYR H H 8.262 0.000 . 1180 127 131 TYR HA H 4.389 0.000 . 1181 127 131 TYR HB2 H 2.916 0.000 . 1182 127 131 TYR HB3 H 2.744 0.000 . 1183 127 131 TYR HD1 H 6.991 0.002 . 1184 127 131 TYR HD2 H 6.991 0.002 . 1185 127 131 TYR HE1 H 6.755 0.001 . 1186 127 131 TYR HE2 H 6.755 0.001 . 1187 127 131 TYR C C 176.244 0.000 . 1188 127 131 TYR CA C 60.775 0.000 . 1189 127 131 TYR CB C 37.750 0.000 . 1190 127 131 TYR CD1 C 132.339 0.000 . 1191 127 131 TYR CD2 C 132.339 0.000 . 1192 127 131 TYR CE1 C 118.230 0.000 . 1193 127 131 TYR CE2 C 118.230 0.000 . 1194 127 131 TYR N N 115.912 0.000 . 1195 128 132 LEU H H 7.810 0.000 . 1196 128 132 LEU HA H 4.069 0.000 . 1197 128 132 LEU HB2 H 1.626 0.000 . 1198 128 132 LEU HB3 H 1.408 0.000 . 1199 128 132 LEU HG H 2.205 0.004 . 1200 128 132 LEU HD1 H 0.648 0.000 . 1201 128 132 LEU HD2 H 0.506 0.000 . 1202 128 132 LEU C C 178.822 0.000 . 1203 128 132 LEU CA C 57.099 0.000 . 1204 128 132 LEU CB C 40.779 0.000 . 1205 128 132 LEU CG C 25.585 0.000 . 1206 128 132 LEU CD1 C 22.445 0.000 . 1207 128 132 LEU CD2 C 25.913 0.000 . 1208 128 132 LEU N N 111.225 0.000 . 1209 129 133 ASN H H 7.426 0.000 . 1210 129 133 ASN HA H 4.990 0.000 . 1211 129 133 ASN HB2 H 2.885 0.000 . 1212 129 133 ASN HB3 H 2.885 0.000 . 1213 129 133 ASN HD21 H 7.161 0.000 . 1214 129 133 ASN HD22 H 7.673 0.003 . 1215 129 133 ASN C C 174.617 0.000 . 1216 129 133 ASN CA C 54.362 0.000 . 1217 129 133 ASN CB C 40.151 0.000 . 1218 129 133 ASN N N 110.757 0.000 . 1219 129 133 ASN ND2 N 114.951 0.000 . 1220 130 134 ASN H H 8.374 0.000 . 1221 130 134 ASN HA H 5.086 0.000 . 1222 130 134 ASN HB2 H 2.820 0.008 . 1223 130 134 ASN HB3 H 2.694 0.034 . 1224 130 134 ASN HD21 H 6.820 0.003 . 1225 130 134 ASN HD22 H 7.608 0.002 . 1226 130 134 ASN C C 170.484 0.000 . 1227 130 134 ASN CA C 51.671 0.000 . 1228 130 134 ASN CB C 38.975 0.000 . 1229 130 134 ASN N N 119.896 0.000 . 1230 130 134 ASN ND2 N 112.717 0.000 . 1231 131 135 PRO HA H 4.734 0.004 . 1232 131 135 PRO HB2 H 2.599 0.007 . 1233 131 135 PRO HB3 H 1.919 0.007 . 1234 131 135 PRO HG2 H 2.111 0.008 . 1235 131 135 PRO HG3 H 2.027 0.006 . 1236 131 135 PRO HD2 H 3.576 0.005 . 1237 131 135 PRO HD3 H 3.336 0.005 . 1238 131 135 PRO CA C 61.682 0.000 . 1239 131 135 PRO CB C 30.833 0.000 . 1240 131 135 PRO CG C 27.225 0.000 . 1241 131 135 PRO CD C 49.931 0.016 . 1242 132 136 PRO HA H 4.492 0.005 . 1243 132 136 PRO HB2 H 2.312 0.006 . 1244 132 136 PRO HB3 H 2.063 0.006 . 1245 132 136 PRO HG2 H 2.083 0.005 . 1246 132 136 PRO HG3 H 2.028 0.004 . 1247 132 136 PRO HD2 H 3.850 0.005 . 1248 132 136 PRO HD3 H 3.525 0.005 . 1249 132 136 PRO C C 176.532 0.000 . 1250 132 136 PRO CA C 62.419 0.000 . 1251 132 136 PRO CB C 31.571 0.000 . 1252 132 136 PRO CG C 27.682 0.000 . 1253 132 136 PRO CD C 50.203 0.000 . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D half-filtered 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ubiquitin receptor, chain B' _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 1 940 23 GLN HA H 4.459 0.003 . 2 940 23 GLN HB2 H 2.200 0.006 . 3 940 23 GLN HB3 H 2.042 0.003 . 4 940 23 GLN HG2 H 2.429 0.008 . 5 940 23 GLN HG3 H 2.429 0.008 . 6 940 23 GLN HE21 H 7.643 0.000 . 7 940 23 GLN HE22 H 6.894 0.000 . 8 940 23 GLN CA C 55.434 0.000 . 9 940 23 GLN CB C 29.708 0.000 . 10 940 23 GLN CG C 33.371 0.000 . 11 940 23 GLN N N 121.776 0.000 . 12 940 23 GLN NE2 N 113.274 0.000 . 13 941 24 GLU H H 8.441 0.001 . 14 941 24 GLU HA H 4.266 0.007 . 15 941 24 GLU HB2 H 2.225 0.008 . 16 941 24 GLU HB3 H 1.812 0.002 . 17 941 24 GLU HG2 H 2.568 0.004 . 18 941 24 GLU HG3 H 2.472 0.003 . 19 941 24 GLU CA C 55.317 0.000 . 20 941 24 GLU CB C 29.155 0.018 . 21 941 24 GLU CG C 36.462 0.000 . 22 941 24 GLU N N 121.990 0.000 . 23 942 25 PRO HA H 4.574 0.000 . 24 942 25 PRO HB2 H 2.559 0.006 . 25 942 25 PRO HB3 H 2.328 0.005 . 26 942 25 PRO HG2 H 2.179 0.005 . 27 942 25 PRO HG3 H 2.101 0.001 . 28 942 25 PRO HD2 H 3.641 0.007 . 29 942 25 PRO HD3 H 3.545 0.006 . 30 942 25 PRO C C 176.045 0.000 . 31 942 25 PRO CA C 62.888 0.000 . 32 942 25 PRO CB C 32.527 0.000 . 33 942 25 PRO CG C 28.030 0.000 . 34 942 25 PRO CD C 50.539 0.000 . 35 943 26 GLU H H 8.360 0.000 . 36 943 26 GLU HA H 4.644 0.010 . 37 943 26 GLU HB2 H 2.120 0.004 . 38 943 26 GLU HB3 H 1.782 0.012 . 39 943 26 GLU HG2 H 2.454 0.003 . 40 943 26 GLU HG3 H 2.389 0.005 . 41 943 26 GLU C C 173.222 0.000 . 42 943 26 GLU CA C 54.250 0.000 . 43 943 26 GLU CB C 28.874 0.000 . 44 943 26 GLU CG C 36.181 0.048 . 45 943 26 GLU N N 120.409 0.000 . 46 944 27 PRO HA H 2.746 0.000 . 47 944 27 PRO HB2 H 1.374 0.004 . 48 944 27 PRO HB3 H 1.213 0.054 . 49 944 27 PRO HG2 H 2.075 0.000 . 50 944 27 PRO HG3 H 2.016 0.000 . 51 944 27 PRO HD2 H 3.969 0.003 . 52 944 27 PRO HD3 H 3.651 0.005 . 53 944 27 PRO CA C 60.624 0.000 . 54 944 27 PRO CB C 30.027 0.000 . 55 944 27 PRO CG C 27.187 0.000 . 56 944 27 PRO CD C 49.972 0.004 . 57 945 28 PRO HA H 4.256 0.006 . 58 945 28 PRO HB2 H 1.936 0.001 . 59 945 28 PRO HB3 H 1.655 0.009 . 60 945 28 PRO HG2 H 1.649 0.005 . 61 945 28 PRO HG3 H 1.359 0.000 . 62 945 28 PRO HD2 H 2.743 0.000 . 63 945 28 PRO HD3 H 1.768 0.000 . 64 945 28 PRO C C 175.464 0.000 . 65 945 28 PRO CA C 61.220 0.000 . 66 945 28 PRO CB C 32.299 0.000 . 67 945 28 PRO CG C 30.037 0.009 . 68 945 28 PRO CD C 49.415 0.009 . 69 946 29 GLU H H 7.935 0.003 . 70 946 29 GLU HA H 4.348 0.008 . 71 946 29 GLU HB2 H 2.094 0.000 . 72 946 29 GLU HB3 H 1.772 0.001 . 73 946 29 GLU HG2 H 2.376 0.001 . 74 946 29 GLU HG3 H 2.297 0.008 . 75 946 29 GLU C C 174.301 0.000 . 76 946 29 GLU CA C 54.474 0.000 . 77 946 29 GLU CB C 28.592 0.000 . 78 946 29 GLU CG C 36.181 0.000 . 79 946 29 GLU N N 118.201 0.000 . 80 947 30 PRO HA H 4.851 0.004 . 81 947 30 PRO HB2 H 1.719 0.005 . 82 947 30 PRO HB3 H 2.145 0.005 . 83 947 30 PRO HG2 H 2.103 0.000 . 84 947 30 PRO HG3 H 1.855 0.000 . 85 947 30 PRO HD2 H 3.750 0.007 . 86 947 30 PRO HD3 H 3.617 0.005 . 87 947 30 PRO C C 175.864 0.000 . 88 947 30 PRO CA C 62.906 0.000 . 89 947 30 PRO CB C 32.233 0.000 . 90 947 30 PRO CG C 28.311 0.000 . 91 947 30 PRO CD C 50.187 0.005 . 92 948 31 PHE H H 7.869 0.000 . 93 948 31 PHE HA H 5.070 0.002 . 94 948 31 PHE HB2 H 3.102 0.004 . 95 948 31 PHE HB3 H 3.102 0.004 . 96 948 31 PHE HD1 H 7.217 0.001 . 97 948 31 PHE HD2 H 7.217 0.001 . 98 948 31 PHE HE1 H 6.953 0.003 . 99 948 31 PHE HE2 H 6.953 0.003 . 100 948 31 PHE HZ H 6.785 0.004 . 101 948 31 PHE C C 171.805 0.005 . 102 948 31 PHE CA C 55.036 0.000 . 103 948 31 PHE CB C 41.522 0.000 . 104 948 31 PHE CD1 C 132.939 0.000 . 105 948 31 PHE CD2 C 132.939 0.000 . 106 948 31 PHE N N 116.599 0.000 . 107 949 32 GLU H H 8.451 0.002 . 108 949 32 GLU HA H 4.932 0.002 . 109 949 32 GLU HB2 H 1.919 0.004 . 110 949 32 GLU HB3 H 1.919 0.004 . 111 949 32 GLU HG2 H 2.214 0.007 . 112 949 32 GLU HG3 H 2.098 0.004 . 113 949 32 GLU C C 175.891 0.000 . 114 949 32 GLU CA C 54.266 0.000 . 115 949 32 GLU CB C 30.924 0.000 . 116 949 32 GLU CG C 36.204 0.000 . 117 949 32 GLU N N 119.256 0.000 . 118 950 33 TYR H H 9.116 0.003 . 119 950 33 TYR HA H 4.609 0.001 . 120 950 33 TYR HB2 H 2.512 0.011 . 121 950 33 TYR HB3 H 2.470 0.003 . 122 950 33 TYR HD1 H 7.040 0.033 . 123 950 33 TYR HD2 H 7.040 0.033 . 124 950 33 TYR HE1 H 6.953 0.002 . 125 950 33 TYR HE2 H 6.953 0.002 . 126 950 33 TYR C C 173.463 0.000 . 127 950 33 TYR CA C 57.347 0.000 . 128 950 33 TYR CB C 41.240 0.000 . 129 950 33 TYR CD1 C 132.658 0.000 . 130 950 33 TYR CD2 C 132.658 0.000 . 131 950 33 TYR CE1 C 118.411 0.000 . 132 950 33 TYR CE2 C 118.411 0.000 . 133 950 33 TYR N N 126.402 0.000 . 134 951 34 ILE H H 7.585 0.005 . 135 951 34 ILE HA H 3.949 0.004 . 136 951 34 ILE HB H 1.641 0.002 . 137 951 34 ILE HG12 H 1.343 0.004 . 138 951 34 ILE HG13 H 1.055 0.003 . 139 951 34 ILE HG2 H 0.789 0.006 . 140 951 34 ILE HD1 H 0.804 0.000 . 141 951 34 ILE C C 174.396 0.000 . 142 951 34 ILE CA C 59.786 0.000 . 143 951 34 ILE CB C 39.273 0.000 . 144 951 34 ILE CG1 C 26.906 0.000 . 145 951 34 ILE CG2 C 17.338 0.000 . 146 951 34 ILE CD1 C 12.771 0.000 . 147 951 34 ILE N N 126.987 0.000 . 148 952 35 ASP H H 7.941 0.000 . 149 952 35 ASP HA H 4.308 0.005 . 150 952 35 ASP HB2 H 2.691 0.007 . 151 952 35 ASP HB3 H 2.451 0.003 . 152 952 35 ASP C C 174.519 0.000 . 153 952 35 ASP CA C 53.912 0.000 . 154 952 35 ASP CB C 41.521 0.000 . 155 952 35 ASP N N 124.902 0.000 . 156 953 36 ASP H H 7.839 0.000 . 157 953 36 ASP HA H 4.305 0.000 . 158 953 36 ASP HB2 H 2.587 0.004 . 159 953 36 ASP HB3 H 2.533 0.003 . 160 953 36 ASP C C 180.939 0.000 . 161 953 36 ASP CA C 55.036 0.000 . 162 953 36 ASP CB C 42.352 0.000 . 163 953 36 ASP N N 126.527 0.000 . stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D half-filtered 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ubiquitin receptor, chain C' _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 HA H 4.218 0.004 . 2 1 1 MET HB2 H 2.111 0.015 . 3 1 1 MET HB3 H 2.065 0.003 . 4 1 1 MET HG2 H 2.558 0.006 . 5 1 1 MET HG3 H 1.962 0.005 . 6 1 1 MET HE H 1.632 0.003 . 7 1 1 MET C C 170.54 0.000 . 8 1 1 MET CA C 54.202 0.000 . 9 1 1 MET CB C 33.003 0.000 . 10 1 1 MET CG C 30.784 0.000 . 11 1 1 MET CE C 17.719 0.000 . 12 2 2 GLN H H 8.900 0.000 . 13 2 2 GLN HA H 5.285 0.005 . 14 2 2 GLN HB2 H 1.853 0.001 . 15 2 2 GLN HB3 H 1.619 0.004 . 16 2 2 GLN HG2 H 2.228 0.002 . 17 2 2 GLN HG3 H 1.890 0.004 . 18 2 2 GLN HE21 H 7.65 0.000 . 19 2 2 GLN HE22 H 6.79 0.000 . 20 2 2 GLN C C 175.92 0.000 . 21 2 2 GLN CA C 54.941 0.000 . 22 2 2 GLN CB C 30.538 0.000 . 23 2 2 GLN CG C 34.482 0.000 . 24 2 2 GLN N N 123.22 0.000 . 25 2 2 GLN NE2 N 111.95 0.000 . 26 3 3 ILE H H 8.327 0.002 . 27 3 3 ILE HA H 4.158 0.006 . 28 3 3 ILE HB H 1.747 0.002 . 29 3 3 ILE HG12 H 0.832 0.001 . 30 3 3 ILE HG13 H 0.832 0.001 . 31 3 3 ILE HG2 H 0.620 0.011 . 32 3 3 ILE HD1 H 0.582 0.006 . 33 3 3 ILE C C 172.45 0.000 . 34 3 3 ILE CA C 59.625 0.000 . 35 3 3 ILE CB C 42.123 0.000 . 36 3 3 ILE CG1 C 25.115 0.000 . 37 3 3 ILE CG2 C 17.719 0.000 . 38 3 3 ILE CD1 C 14.022 0.000 . 39 3 3 ILE N N 115.34 0.000 . 40 4 4 PHE H H 8.605 0.005 . 41 4 4 PHE HA H 5.577 0.010 . 42 4 4 PHE HB2 H 3.028 0.007 . 43 4 4 PHE HB3 H 2.853 0.012 . 44 4 4 PHE HD1 H 7.058 0.005 . 45 4 4 PHE HD2 H 7.058 0.005 . 46 4 4 PHE HE1 H 7.231 0.004 . 47 4 4 PHE HE2 H 7.231 0.004 . 48 4 4 PHE HZ H 7.232 0.000 . 49 4 4 PHE C C 175.32 0.000 . 50 4 4 PHE CA C 55.188 0.000 . 51 4 4 PHE CB C 41.137 0.000 . 52 4 4 PHE CD1 C 132.084 0.000 . 53 4 4 PHE CD2 C 132.084 0.000 . 54 4 4 PHE CE1 C 130.921 0.000 . 55 4 4 PHE CE2 C 130.921 0.000 . 56 4 4 PHE CZ C 129.487 0.000 . 57 4 4 PHE N N 118.11 0.000 . 58 5 5 VAL H H 9.341 0.003 . 59 5 5 VAL HA H 4.805 0.009 . 60 5 5 VAL HB H 1.902 0.004 . 61 5 5 VAL HG1 H 0.679 0.006 . 62 5 5 VAL HG2 H 0.719 0.002 . 63 5 5 VAL C C 174.87 0.000 . 64 5 5 VAL CA C 60.364 0.000 . 65 5 5 VAL CB C 33.742 0.000 . 66 5 5 VAL CG1 C 22.403 0.000 . 67 5 5 VAL CG2 C 20.678 0.000 . 68 6 6 LYS H H 8.820 0.000 . 69 6 6 LYS HA H 5.327 0.007 . 70 6 6 LYS HB2 H 1.643 0.102 . 71 6 6 LYS HB3 H 1.363 0.001 . 72 6 6 LYS HG2 H 1.496 0.004 . 73 6 6 LYS HG3 H 1.266 0.005 . 74 6 6 LYS HD2 H 1.565 0.009 . 75 6 6 LYS HD3 H 1.565 0.009 . 76 6 6 LYS HE2 H 2.891 0.002 . 77 6 6 LYS HE3 H 2.891 0.002 . 78 6 6 LYS C C 177.14 0.000 . 79 6 6 LYS CA C 54.448 0.000 . 80 6 6 LYS CB C 34.482 0.000 . 81 6 6 LYS CG C 24.868 0.000 . 82 6 6 LYS CD C 29.059 0.000 . 83 6 6 LYS CE C 41.630 0.000 . 84 6 6 LYS N N 127.52 0.000 . 85 7 7 THR HA H 4.986 0.051 . 86 7 7 THR HB H 4.812 0.002 . 87 7 7 THR HG2 H 1.189 0.003 . 88 7 7 THR CA C 60.364 0.000 . 89 7 7 THR CB C 70.471 0.000 . 90 7 7 THR CG2 C 21.417 0.000 . 91 8 8 LEU HA H 4.331 0.004 . 92 8 8 LEU HB2 H 1.911 0.008 . 93 8 8 LEU HB3 H 1.911 0.008 . 94 8 8 LEU HG H 1.875 0.002 . 95 8 8 LEU HD1 H 1.051 0.003 . 96 8 8 LEU HD2 H 1.142 0.004 . 97 8 8 LEU CA C 57.160 0.000 . 98 8 8 LEU CB C 41.630 0.000 . 99 8 8 LEU CG C 27.333 0.000 . 100 8 8 LEU CD1 C 23.636 0.000 . 101 8 8 LEU CD2 C 25.115 0.000 . 102 9 9 THR HA H 4.423 0.004 . 103 9 9 THR HB H 4.587 0.003 . 104 9 9 THR HG2 H 1.247 0.002 . 105 9 9 THR CA C 61.104 0.000 . 106 9 9 THR CB C 68.992 0.000 . 107 9 9 THR CG2 C 21.664 0.000 . 108 10 10 GLY H H 7.810 0.000 . 109 10 10 GLY HA2 H 4.327 0.003 . 110 10 10 GLY HA3 H 3.614 0.002 . 111 10 10 GLY C C 174.07 0.000 . 112 10 10 GLY CA C 45.328 0.000 . 113 10 10 GLY N N 108.890 0.000 . 114 11 11 LYS HA H 4.362 0.002 . 115 11 11 LYS HB2 H 1.802 0.002 . 116 11 11 LYS HB3 H 1.695 0.002 . 117 11 11 LYS HG2 H 1.399 0.003 . 118 11 11 LYS HG3 H 1.399 0.003 . 119 11 11 LYS HD2 H 1.614 0.007 . 120 11 11 LYS HD3 H 1.614 0.007 . 121 11 11 LYS HE2 H 2.901 0.003 . 122 11 11 LYS HE3 H 2.901 0.003 . 123 11 11 LYS CA C 56.174 0.000 . 124 11 11 LYS CB C 33.249 0.000 . 125 11 11 LYS CG C 25.115 0.000 . 126 11 11 LYS CD C 29.059 0.000 . 127 11 11 LYS CE C 41.630 0.000 . 128 12 12 THR HA H 5.033 0.002 . 129 12 12 THR HB H 3.931 0.002 . 130 12 12 THR HG2 H 1.070 0.002 . 131 12 12 THR CA C 62.090 0.000 . 132 12 12 THR CB C 69.731 0.000 . 133 12 12 THR CG2 C 21.664 0.000 . 134 13 13 ILE H H 8.295 0.004 . 135 13 13 ILE HA H 4.469 0.004 . 136 13 13 ILE HB H 1.860 0.004 . 137 13 13 ILE HG12 H 1.435 0.003 . 138 13 13 ILE HG13 H 1.076 0.006 . 139 13 13 ILE HG2 H 0.870 0.004 . 140 13 13 ILE HD1 H 0.705 0.005 . 141 13 13 ILE CA C 59.871 0.000 . 142 13 13 ILE CB C 40.644 0.000 . 143 13 13 ILE CG1 C 26.840 0.000 . 144 13 13 ILE CG2 C 17.719 0.000 . 145 13 13 ILE CD1 C 14.515 0.000 . 146 14 14 THR H H 8.705 0.000 . 147 14 14 THR HA H 4.946 0.005 . 148 14 14 THR HB H 4.026 0.003 . 149 14 14 THR HG2 H 1.124 0.005 . 150 14 14 THR CA C 61.843 0.000 . 151 14 14 THR CB C 69.485 0.000 . 152 14 14 THR CG2 C 21.664 0.000 . 153 15 15 LEU H H 8.703 0.001 . 154 15 15 LEU HA H 4.761 0.005 . 155 15 15 LEU HB2 H 1.349 0.003 . 156 15 15 LEU HB3 H 1.196 0.008 . 157 15 15 LEU HG H 1.411 0.010 . 158 15 15 LEU HD1 H 0.704 0.004 . 159 15 15 LEU HD2 H 0.753 0.004 . 160 15 15 LEU C C 174.67 0.000 . 161 15 15 LEU CA C 52.723 0.000 . 162 15 15 LEU CB C 46.807 0.000 . 163 15 15 LEU CG C 26.840 0.000 . 164 15 15 LEU CD1 C 27.087 0.000 . 165 15 15 LEU CD2 C 23.882 0.000 . 166 15 15 LEU N N 124.80 0.000 . 167 16 16 GLU H H 8.140 0.000 . 168 16 16 GLU HA H 4.884 0.004 . 169 16 16 GLU HB2 H 1.906 0.004 . 170 16 16 GLU HB3 H 1.820 0.001 . 171 16 16 GLU HG2 H 2.226 0.003 . 172 16 16 GLU HG3 H 2.071 0.004 . 173 16 16 GLU C C 175.86 0.000 . 174 16 16 GLU CA C 54.695 0.000 . 175 16 16 GLU CB C 29.552 0.000 . 176 16 16 GLU CG C 35.468 0.000 . 177 16 16 GLU N N 122.160 0.000 . 178 17 17 VAL H H 8.900 0.000 . 179 17 17 VAL HA H 4.698 0.007 . 180 17 17 VAL HB H 2.329 0.004 . 181 17 17 VAL HG1 H 0.422 0.007 . 182 17 17 VAL HG2 H 0.705 0.005 . 183 17 17 VAL C C 174.160 0.000 . 184 17 17 VAL CA C 58.392 0.000 . 185 17 17 VAL CB C 36.207 0.000 . 186 17 17 VAL CG1 C 19.445 0.000 . 187 17 17 VAL CG2 C 22.157 0.000 . 188 17 17 VAL N N 117.210 0.000 . 189 18 18 GLU H H 8.640 0.000 . 190 18 18 GLU HA H 5.069 0.002 . 191 18 18 GLU HB2 H 2.141 0.004 . 192 18 18 GLU HB3 H 1.590 0.009 . 193 18 18 GLU HG2 H 2.333 0.003 . 194 18 18 GLU HG3 H 2.207 0.005 . 195 18 18 GLU C C 176.160 0.000 . 196 18 18 GLU CA C 52.723 0.000 . 197 18 18 GLU CB C 30.784 0.000 . 198 18 18 GLU CG C 34.975 0.000 . 199 18 18 GLU N N 118.99 0.000 . 200 19 19 PRO HA H 4.116 0.005 . 201 19 19 PRO HB2 H 2.426 0.007 . 202 19 19 PRO HB3 H 1.996 0.008 . 203 19 19 PRO HG2 H 2.200 0.003 . 204 19 19 PRO HG3 H 2.063 0.002 . 205 19 19 PRO HD2 H 3.999 0.004 . 206 19 19 PRO HD3 H 3.798 0.004 . 207 19 19 PRO C C 175.310 0.000 . 208 19 19 PRO CA C 65.294 0.000 . 209 19 19 PRO CB C 31.770 0.000 . 210 19 19 PRO CG C 27.826 0.000 . 211 19 19 PRO CD C 50.258 0.000 . 212 20 20 SER H H 7.040 0.000 . 213 20 20 SER HA H 4.355 0.004 . 214 20 20 SER HB2 H 4.140 0.003 . 215 20 20 SER HB3 H 3.773 0.004 . 216 20 20 SER C C 174.66 0.000 . 217 20 20 SER CA C 57.160 0.000 . 218 20 20 SER CB C 63.322 0.000 . 219 20 20 SER N N 103.400 0.000 . 220 21 21 ASP H H 8.069 0.001 . 221 21 21 ASP HA H 4.675 0.005 . 222 21 21 ASP HB2 H 2.939 0.003 . 223 21 21 ASP HB3 H 2.503 0.009 . 224 21 21 ASP C C 176.36 0.000 . 225 21 21 ASP CA C 55.681 0.000 . 226 21 21 ASP CB C 40.891 0.000 . 227 21 21 ASP N N 123.480 0.000 . 228 22 22 THR H H 7.900 0.000 . 229 22 22 THR HA H 4.919 0.004 . 230 22 22 THR HB H 4.802 0.007 . 231 22 22 THR HG2 H 1.254 0.003 . 232 22 22 THR C C 176.750 0.000 . 233 22 22 THR CA C 59.378 0.000 . 234 22 22 THR CB C 70.964 0.000 . 235 22 22 THR CG2 C 22.157 0.000 . 236 22 22 THR N N 108.800 0.000 . 237 23 23 ILE H H 8.571 0.004 . 238 23 23 ILE HA H 3.626 0.005 . 239 23 23 ILE HB H 2.502 0.007 . 240 23 23 ILE HG12 H 1.904 0.000 . 241 23 23 ILE HG13 H 1.290 0.000 . 242 23 23 ILE HG2 H 0.777 0.006 . 243 23 23 ILE HD1 H 0.575 0.005 . 244 23 23 ILE C C 179.040 0.000 . 245 23 23 ILE CA C 62.090 0.000 . 246 23 23 ILE CB C 34.482 0.000 . 247 23 23 ILE CG1 C 27.826 0.000 . 248 23 23 ILE CG2 C 17.966 0.000 . 249 23 23 ILE CD1 C 9.280 0.000 . 250 23 23 ILE N N 121.190 0.000 . 251 24 24 GLU H H 9.760 0.000 . 252 24 24 GLU HA H 3.879 0.004 . 253 24 24 GLU HB2 H 2.050 0.003 . 254 24 24 GLU HB3 H 2.006 0.004 . 255 24 24 GLU HG2 H 2.363 0.005 . 256 24 24 GLU HG3 H 2.298 0.005 . 257 24 24 GLU C C 178.640 0.000 . 258 24 24 GLU CA C 60.364 0.000 . 259 24 24 GLU CB C 28.566 0.000 . 260 24 24 GLU CG C 35.961 0.000 . 261 24 24 GLU N N 120.830 0.000 . 262 25 25 ASN H H 7.920 0.000 . 263 25 25 ASN HA H 4.544 0.002 . 264 25 25 ASN HB2 H 3.207 0.004 . 265 25 25 ASN HB3 H 2.857 0.006 . 266 25 25 ASN HD21 H 7.820 0.000 . 267 25 25 ASN HD22 H 6.890 0.000 . 268 25 25 ASN C C 178.380 0.000 . 269 25 25 ASN CA C 55.681 0.000 . 270 25 25 ASN CB C 38.179 0.000 . 271 25 25 ASN N N 120.570 0.000 . 272 25 25 ASN ND2 N 109.700 0.000 . 273 26 26 VAL H H 8.140 0.003 . 274 26 26 VAL HA H 3.385 0.004 . 275 26 26 VAL HB H 2.337 0.005 . 276 26 26 VAL HG1 H 0.693 0.003 . 277 26 26 VAL HG2 H 0.973 0.004 . 278 26 26 VAL C C 177.950 0.000 . 279 26 26 VAL CA C 67.513 0.000 . 280 26 26 VAL CB C 30.784 0.000 . 281 26 26 VAL CG1 C 21.417 0.000 . 282 26 26 VAL CG2 C 23.636 0.000 . 283 26 26 VAL N N 121.71 0.000 . 284 27 27 LYS H H 8.578 0.006 . 285 27 27 LYS HA H 4.575 0.107 . 286 27 27 LYS HB2 H 2.011 0.005 . 287 27 27 LYS HB3 H 2.011 0.005 . 288 27 27 LYS HD2 H 1.634 0.004 . 289 27 27 LYS HD3 H 1.634 0.004 . 290 27 27 LYS HE2 H 2.627 0.008 . 291 27 27 LYS HE3 H 2.627 0.008 . 292 27 27 LYS CA C 59.132 0.000 . 293 27 27 LYS CB C 33.496 0.000 . 294 27 27 LYS CD C 30.291 0.000 . 295 27 27 LYS CE C 42.123 0.000 . 296 27 27 LYS N N 118.860 0.000 . 297 28 28 ALA H H 8.060 0.000 . 298 28 28 ALA HA H 4.151 0.005 . 299 28 28 ALA HB H 1.628 0.004 . 300 28 28 ALA C C 180.300 0.000 . 301 28 28 ALA CA C 55.188 0.000 . 302 28 28 ALA CB C 17.719 0.000 . 303 28 28 ALA N N 123.440 0.000 . 304 29 29 LYS H H 7.850 0.000 . 305 29 29 LYS HA H 4.191 0.007 . 306 29 29 LYS HB2 H 1.939 0.013 . 307 29 29 LYS HB3 H 2.137 0.008 . 308 29 29 LYS HG2 H 1.785 0.006 . 309 29 29 LYS HG3 H 1.594 0.006 . 310 29 29 LYS HD2 H 1.788 0.004 . 311 29 29 LYS HD3 H 1.446 0.008 . 312 29 29 LYS HE2 H 3.175 0.004 . 313 29 29 LYS HE3 H 2.967 0.004 . 314 29 29 LYS C C 180.320 0.000 . 315 29 29 LYS CA C 59.625 0.000 . 316 29 29 LYS CB C 33.249 0.000 . 317 29 29 LYS CG C 26.347 0.000 . 318 29 29 LYS CD C 30.045 0.000 . 319 29 29 LYS CE C 42.123 0.000 . 320 29 29 LYS N N 119.940 0.000 . 321 30 30 ILE H H 8.291 0.003 . 322 30 30 ILE HA H 3.500 0.004 . 323 30 30 ILE HB H 2.344 0.003 . 324 30 30 ILE HG12 H 2.010 0.003 . 325 30 30 ILE HG13 H 0.695 0.007 . 326 30 30 ILE HG2 H 0.690 0.005 . 327 30 30 ILE HD1 H 0.883 0.004 . 328 30 30 ILE C C 178.310 0.000 . 329 30 30 ILE CA C 66.034 0.000 . 330 30 30 ILE CB C 36.700 0.000 . 331 30 30 ILE CG1 C 31.031 0.000 . 332 30 30 ILE CG2 C 16.980 0.000 . 333 30 30 ILE CD1 C 15.008 0.000 . 334 30 30 ILE N N 121.080 0.000 . 335 31 31 GLN H H 8.580 0.000 . 336 31 31 GLN HA H 3.810 0.009 . 337 31 31 GLN HB2 H 2.486 0.006 . 338 31 31 GLN HB3 H 1.629 0.005 . 339 31 31 GLN HG2 H 2.268 0.004 . 340 31 31 GLN HG3 H 1.926 0.009 . 341 31 31 GLN HE21 H 7.630 0.000 . 342 31 31 GLN HE22 H 6.800 0.000 . 343 31 31 GLN C C 178.89 0.000 . 344 31 31 GLN CA C 59.871 0.000 . 345 31 31 GLN CB C 27.580 0.000 . 346 31 31 GLN CG C 33.742 0.000 . 347 31 31 GLN N N 123.490 0.000 . 348 31 31 GLN NE2 N 109.850 0.000 . 349 32 32 ASP H H 8.010 0.000 . 350 32 32 ASP HA H 4.322 0.001 . 351 32 32 ASP HB2 H 2.834 0.005 . 352 32 32 ASP HB3 H 2.736 0.004 . 353 32 32 ASP C C 177.250 0.000 . 354 32 32 ASP CA C 57.160 0.000 . 355 32 32 ASP CB C 40.891 0.000 . 356 32 32 ASP N N 119.360 0.000 . 357 33 33 LYS H H 7.430 0.000 . 358 33 33 LYS HA H 4.293 0.005 . 359 33 33 LYS HB2 H 1.990 0.044 . 360 33 33 LYS HB3 H 1.850 0.002 . 361 33 33 LYS HG2 H 1.597 0.004 . 362 33 33 LYS HG3 H 1.597 0.004 . 363 33 33 LYS HD2 H 1.704 0.002 . 364 33 33 LYS HD3 H 1.704 0.002 . 365 33 33 LYS HE2 H 3.165 0.001 . 366 33 33 LYS HE3 H 3.115 0.002 . 367 33 33 LYS C C 177.870 0.000 . 368 33 33 LYS CA C 58.146 0.000 . 369 33 33 LYS CB C 33.989 0.000 . 370 33 33 LYS CG C 25.115 0.000 . 371 33 33 LYS CD C 28.566 0.000 . 372 33 33 LYS CE C 41.877 0.000 . 373 33 33 LYS N N 115.130 0.000 . 374 34 34 GLU H H 8.740 0.000 . 375 34 34 GLU HA H 4.563 0.004 . 376 34 34 GLU HB2 H 2.266 0.004 . 377 34 34 GLU HB3 H 1.665 0.006 . 378 34 34 GLU HG2 H 2.158 0.003 . 379 34 34 GLU HG3 H 2.055 0.010 . 380 34 34 GLU C C 173.960 0.000 . 381 34 34 GLU CA C 55.188 0.000 . 382 34 34 GLU CB C 33.249 0.000 . 383 34 34 GLU CG C 36.207 0.000 . 384 34 34 GLU N N 108.650 0.000 . 385 35 35 GLY H H 6.150 0.000 . 386 35 35 GLY HA2 H 4.121 0.001 . 387 35 35 GLY HA3 H 3.914 0.001 . 388 35 35 GLY C C 173.960 0.000 . 389 35 35 GLY CA C 45.821 0.000 . 390 35 35 GLY N N 108.650 0.000 . 391 36 36 ILE H H 6.150 0.000 . 392 36 36 ILE HA H 4.397 0.003 . 393 36 36 ILE HB H 1.407 0.008 . 394 36 36 ILE HG12 H 1.069 0.007 . 395 36 36 ILE HG13 H 1.069 0.007 . 396 36 36 ILE HG2 H 0.926 0.006 . 397 36 36 ILE HD1 H 0.777 0.004 . 398 36 36 ILE C C 173.59 0.000 . 399 36 36 ILE CA C 57.653 0.000 . 400 36 36 ILE CB C 40.398 0.000 . 401 36 36 ILE CG2 C 17.719 0.000 . 402 36 36 ILE CD1 C 13.529 0.000 . 403 36 36 ILE N N 119.880 0.000 . 404 37 37 PRO HA H 4.628 0.005 . 405 37 37 PRO HB2 H 2.416 0.006 . 406 37 37 PRO HB3 H 1.963 0.003 . 407 37 37 PRO HG2 H 2.107 0.002 . 408 37 37 PRO HG3 H 2.041 0.001 . 409 37 37 PRO HD2 H 4.200 0.002 . 410 37 37 PRO HD3 H 3.559 0.003 . 411 37 37 PRO C C 176.940 0.000 . 412 37 37 PRO CA C 61.597 0.000 . 413 37 37 PRO CB C 31.770 0.000 . 414 37 37 PRO CG C 28.073 0.000 . 415 37 37 PRO CD C 50.997 0.000 . 416 38 38 PRO HA H 4.121 0.002 . 417 38 38 PRO HB2 H 2.244 0.007 . 418 38 38 PRO HB3 H 2.015 0.004 . 419 38 38 PRO HG2 H 2.186 0.008 . 420 38 38 PRO HG3 H 1.637 0.006 . 421 38 38 PRO HD2 H 3.757 0.005 . 422 38 38 PRO HD3 H 3.757 0.005 . 423 38 38 PRO C C 178.320 0.000 . 424 38 38 PRO CA C 66.034 0.000 . 425 38 38 PRO CB C 32.756 0.000 . 426 38 38 PRO CG C 27.580 0.000 . 427 38 38 PRO CD C 50.997 0.000 . 428 39 39 ASP H H 8.550 0.000 . 429 39 39 ASP HA H 4.401 0.002 . 430 39 39 ASP HB2 H 2.764 0.002 . 431 39 39 ASP HB3 H 2.665 0.002 . 432 39 39 ASP C C 177.090 0.000 . 433 39 39 ASP CA C 55.188 0.000 . 434 39 39 ASP CB C 39.658 0.000 . 435 39 39 ASP N N 113.380 0.000 . 436 40 40 GLN H H 7.820 0.000 . 437 40 40 GLN HA H 4.465 0.004 . 438 40 40 GLN HB2 H 2.456 0.004 . 439 40 40 GLN HB3 H 1.839 0.005 . 440 40 40 GLN HG2 H 2.406 0.004 . 441 40 40 GLN HG3 H 2.406 0.004 . 442 40 40 GLN HE21 H 7.630 0.000 . 443 40 40 GLN HE22 H 6.740 0.000 . 444 40 40 GLN C C 175.380 0.000 . 445 40 40 GLN CA C 55.434 0.000 . 446 40 40 GLN CB C 30.045 0.000 . 447 40 40 GLN CG C 34.482 0.000 . 448 40 40 GLN N N 116.780 0.000 . 449 40 40 GLN NE2 N 110.750 0.000 . 450 41 41 GLN H H 7.480 0.000 . 451 41 41 GLN HA H 4.206 0.003 . 452 41 41 GLN HB2 H 1.918 0.004 . 453 41 41 GLN HB3 H 1.918 0.004 . 454 41 41 GLN HG2 H 1.645 0.004 . 455 41 41 GLN HG3 H 1.645 0.004 . 456 41 41 GLN HE21 H 6.220 0.000 . 457 41 41 GLN HE22 H 6.520 0.000 . 458 41 41 GLN C C 176.300 0.000 . 459 41 41 GLN CA C 56.420 0.000 . 460 41 41 GLN CB C 31.524 0.000 . 461 41 41 GLN CG C 33.496 0.000 . 462 41 41 GLN N N 117.720 0.000 . 463 41 41 GLN NE2 N 104.170 0.000 . 464 42 42 ARG HA H 4.485 0.007 . 465 42 42 ARG HB2 H 1.723 0.005 . 466 42 42 ARG HB3 H 1.636 0.002 . 467 42 42 ARG HG2 H 1.414 0.000 . 468 42 42 ARG HG3 H 1.414 0.000 . 469 42 42 ARG HD2 H 3.136 0.001 . 470 42 42 ARG HD3 H 3.022 0.005 . 471 42 42 ARG CA C 54.941 0.000 . 472 42 42 ARG CB C 31.524 0.000 . 473 42 42 ARG CG C 26.840 0.000 . 474 42 42 ARG CD C 43.602 0.000 . 475 43 43 LEU HA H 5.370 0.005 . 476 43 43 LEU HB2 H 1.563 0.004 . 477 43 43 LEU HB3 H 1.146 0.001 . 478 43 43 LEU HG H 1.460 0.005 . 479 43 43 LEU HD1 H 0.758 0.004 . 480 43 43 LEU HD2 H 0.795 0.003 . 481 43 43 LEU CA C 52.969 0.000 . 482 43 43 LEU CB C 45.574 0.000 . 483 43 43 LEU CG C 27.087 0.000 . 484 43 43 LEU CD1 C 26.347 0.000 . 485 43 43 LEU CD2 C 24.129 0.000 . 486 44 44 ILE HA H 5.005 0.002 . 487 44 44 ILE HB H 1.477 0.001 . 488 44 44 ILE HG12 H 1.083 0.080 . 489 44 44 ILE HG13 H 1.359 0.006 . 490 44 44 ILE HG2 H 0.697 0.006 . 491 44 44 ILE HD1 H 0.842 0.000 . 492 44 44 ILE CA C 58.885 0.000 . 493 44 44 ILE CG1 C 27.826 0.000 . 494 44 44 ILE CG2 C 17.473 0.000 . 495 44 44 ILE CD1 C 14.077 0.000 . 496 45 45 PHE HA H 5.167 0.011 . 497 45 45 PHE HB2 H 3.025 0.010 . 498 45 45 PHE HB3 H 2.784 0.014 . 499 45 45 PHE HD1 H 7.352 0.006 . 500 45 45 PHE HD2 H 7.352 0.006 . 501 45 45 PHE HE1 H 7.515 0.005 . 502 45 45 PHE HE2 H 7.515 0.005 . 503 45 45 PHE HZ H 7.469 0.002 . 504 45 45 PHE CA C 56.420 0.000 . 505 45 45 PHE CB C 43.697 0.031 . 506 45 45 PHE CD1 C 132.370 0.000 . 507 45 45 PHE CD2 C 132.370 0.000 . 508 45 45 PHE CE1 C 132.165 0.000 . 509 45 45 PHE CE2 C 132.165 0.000 . 510 45 45 PHE CZ C 129.974 0.000 . 511 46 46 ALA HA H 3.418 0.000 . 512 46 46 ALA HB H 0.473 0.000 . 513 46 46 ALA CA C 52.230 0.000 . 514 46 46 ALA CB C 16.240 0.000 . 515 47 47 GLY HA2 H 4.076 0.008 . 516 47 47 GLY HA3 H 4.076 0.008 . 517 47 47 GLY CA C 45.328 0.000 . 518 48 48 LYS HA H 4.657 0.005 . 519 48 48 LYS HB2 H 1.878 0.004 . 520 48 48 LYS HB3 H 1.832 0.003 . 521 48 48 LYS HG2 H 1.423 0.008 . 522 48 48 LYS HG3 H 1.423 0.008 . 523 48 48 LYS HD2 H 1.703 0.004 . 524 48 48 LYS HD3 H 1.703 0.004 . 525 48 48 LYS HE2 H 3.424 0.003 . 526 48 48 LYS HE3 H 3.320 0.004 . 527 48 48 LYS CA C 54.448 0.000 . 528 48 48 LYS CB C 34.728 0.000 . 529 48 48 LYS CG C 24.375 0.000 . 530 48 48 LYS CD C 30.784 0.000 . 531 48 48 LYS CE C 41.877 0.000 . 532 49 49 GLN HA H 4.698 0.008 . 533 49 49 GLN HB2 H 1.967 0.007 . 534 49 49 GLN HB3 H 1.762 0.001 . 535 49 49 GLN HG2 H 2.222 0.004 . 536 49 49 GLN HG3 H 2.222 0.004 . 537 49 49 GLN CA C 55.681 0.000 . 538 49 49 GLN CB C 29.059 0.000 . 539 49 49 GLN CG C 34.728 0.000 . 540 50 50 LEU HA H 4.069 0.007 . 541 50 50 LEU HB2 H 1.475 0.006 . 542 50 50 LEU HB3 H 1.034 0.004 . 543 50 50 LEU HG H 1.481 0.002 . 544 50 50 LEU HD1 H 0.511 0.003 . 545 50 50 LEU HD2 H -0.164 0.003 . 546 50 50 LEU CA C 54.202 0.000 . 547 50 50 LEU CB C 41.137 0.000 . 548 50 50 LEU CG C 25.854 0.000 . 549 50 50 LEU CD1 C 25.854 0.000 . 550 50 50 LEU CD2 C 19.445 0.000 . 551 51 51 GLU HA H 4.495 0.002 . 552 51 51 GLU HB2 H 2.455 0.000 . 553 51 51 GLU HB3 H 2.455 0.000 . 554 51 51 GLU HG2 H 2.454 0.003 . 555 51 51 GLU HG3 H 2.346 0.005 . 556 51 51 GLU CA C 55.927 0.000 . 557 51 51 GLU CG C 36.454 0.000 . 558 52 52 ASP HA H 4.370 0.004 . 559 52 52 ASP CA C 56.420 0.000 . 560 54 54 ARG H H 7.460 0.000 . 561 54 54 ARG HA H 4.702 0.006 . 562 54 54 ARG HB2 H 2.231 0.000 . 563 54 54 ARG HB3 H 2.078 0.000 . 564 54 54 ARG HG2 H 1.822 0.005 . 565 54 54 ARG HG3 H 1.620 0.004 . 566 54 54 ARG HD2 H 3.137 0.003 . 567 54 54 ARG HD3 H 3.072 0.004 . 568 54 54 ARG C C 175.350 0.000 . 569 54 54 ARG CA C 54.202 0.000 . 570 54 54 ARG CB C 32.510 0.000 . 571 54 54 ARG CG C 27.333 0.000 . 572 54 54 ARG CD C 42.863 0.000 . 573 54 54 ARG N N 119.05 0.000 . 574 55 55 THR H H 8.730 0.000 . 575 55 55 THR HA H 5.228 0.005 . 576 55 55 THR HB H 4.559 0.163 . 577 55 55 THR HG2 H 1.119 0.008 . 578 55 55 THR C C 176.560 0.000 . 579 55 55 THR CA C 59.378 0.000 . 580 55 55 THR CB C 72.196 0.000 . 581 55 55 THR CG2 C 22.157 0.000 . 582 55 55 THR N N 108.400 0.000 . 583 56 56 LEU H H 8.140 0.000 . 584 56 56 LEU HA H 4.064 0.011 . 585 56 56 LEU HB2 H 2.099 0.005 . 586 56 56 LEU HB3 H 1.196 0.011 . 587 56 56 LEU HG H 1.710 0.004 . 588 56 56 LEU HD1 H 0.613 0.003 . 589 56 56 LEU HD2 H 0.747 0.007 . 590 56 56 LEU C C 180.810 0.000 . 591 56 56 LEU CA C 58.392 0.000 . 592 56 56 LEU CB C 40.151 0.000 . 593 56 56 LEU CG C 26.594 0.000 . 594 56 56 LEU CD1 C 22.896 0.000 . 595 56 56 LEU CD2 C 26.594 0.000 . 596 56 56 LEU N N 117.920 0.000 . 597 57 57 SER H H 8.470 0.000 . 598 57 57 SER HA H 4.243 0.004 . 599 57 57 SER HB2 H 3.839 0.003 . 600 57 57 SER HB3 H 3.744 0.004 . 601 57 57 SER C C 178.310 0.000 . 602 57 57 SER CA C 60.857 0.000 . 603 57 57 SER CB C 62.336 0.000 . 604 57 57 SER N N 113.330 0.000 . 605 58 58 ASP H H 7.930 0.000 . 606 58 58 ASP HA H 4.283 0.007 . 607 58 58 ASP HB2 H 3.004 0.009 . 608 58 58 ASP HB3 H 2.239 0.006 . 609 58 58 ASP C C 177.400 0.000 . 610 58 58 ASP CA C 57.160 0.000 . 611 58 58 ASP CB C 40.151 0.000 . 612 58 58 ASP N N 124.19 0.000 . 613 59 59 TYR H H 7.250 0.000 . 614 59 59 TYR HA H 4.631 0.003 . 615 59 59 TYR HB2 H 3.461 0.006 . 616 59 59 TYR HB3 H 2.529 0.011 . 617 59 59 TYR HD1 H 7.246 0.000 . 618 59 59 TYR HD2 H 7.246 0.000 . 619 59 59 TYR HE1 H 6.872 0.000 . 620 59 59 TYR HE2 H 6.872 0.000 . 621 59 59 TYR C C 174.70 0.000 . 622 59 59 TYR CA C 58.146 0.000 . 623 59 59 TYR CB C 39.905 0.000 . 624 59 59 TYR CD1 C 133.625 0.000 . 625 59 59 TYR CD2 C 133.625 0.000 . 626 59 59 TYR CE1 C 118.480 0.000 . 627 59 59 TYR CE2 C 118.480 0.000 . 628 59 59 TYR N N 115.510 0.000 . 629 60 60 ASN H H 8.150 0.000 . 630 60 60 ASN HA H 4.342 0.004 . 631 60 60 ASN HB2 H 3.318 0.005 . 632 60 60 ASN HB3 H 2.779 0.005 . 633 60 60 ASN HD21 H 7.530 0.000 . 634 60 60 ASN HD22 H 6.810 0.000 . 635 60 60 ASN C C 174.340 0.000 . 636 60 60 ASN CA C 53.955 0.000 . 637 60 60 ASN CB C 37.193 0.000 . 638 60 60 ASN N N 115.900 0.000 . 639 60 60 ASN ND2 N 111.150 0.000 . 640 61 61 ILE H H 7.250 0.000 . 641 61 61 ILE HA H 3.355 0.005 . 642 61 61 ILE HB H 1.382 0.007 . 643 61 61 ILE HG12 H -0.443 0.024 . 644 61 61 ILE HG13 H 1.101 0.005 . 645 61 61 ILE HG2 H 0.469 0.004 . 646 61 61 ILE HD1 H 0.421 0.005 . 647 61 61 ILE C C 174.61 0.000 . 648 61 61 ILE CA C 62.336 0.000 . 649 61 61 ILE CB C 36.700 0.000 . 650 61 61 ILE CG1 C 28.073 0.000 . 651 61 61 ILE CG2 C 17.226 0.000 . 652 61 61 ILE CD1 C 14.515 0.000 . 653 61 61 ILE N N 118.600 0.000 . 654 62 62 GLN H H 7.610 0.000 . 655 62 62 GLN HA H 4.480 0.003 . 656 62 62 GLN HB2 H 2.249 0.003 . 657 62 62 GLN HB3 H 1.891 0.002 . 658 62 62 GLN HG2 H 2.356 0.001 . 659 62 62 GLN HG3 H 2.289 0.003 . 660 62 62 GLN HE21 H 7.280 0.000 . 661 62 62 GLN HE22 H 6.810 0.000 . 662 62 62 GLN C C 175.97 0.000 . 663 62 62 GLN CA C 53.462 0.000 . 664 62 62 GLN CB C 31.277 0.000 . 665 62 62 GLN CG C 33.249 0.000 . 666 62 62 GLN N N 124.740 0.000 . 667 62 62 GLN NE2 N 112.150 0.000 . 668 63 63 LYS H H 8.490 0.000 . 669 63 63 LYS HA H 3.960 0.006 . 670 63 63 LYS HB2 H 2.047 0.003 . 671 63 63 LYS HB3 H 1.890 0.005 . 672 63 63 LYS HG2 H 1.484 0.004 . 673 63 63 LYS HG3 H 1.484 0.004 . 674 63 63 LYS HD2 H 1.730 0.005 . 675 63 63 LYS HD3 H 1.730 0.005 . 676 63 63 LYS HE2 H 3.020 0.002 . 677 63 63 LYS HE3 H 3.020 0.002 . 678 63 63 LYS C C 175.810 0.000 . 679 63 63 LYS CA C 57.653 0.000 . 680 63 63 LYS CB C 32.510 0.000 . 681 63 63 LYS CG C 23.882 0.000 . 682 63 63 LYS CD C 29.552 0.000 . 683 63 63 LYS CE C 41.630 0.000 . 684 63 63 LYS N N 120.300 0.000 . 685 64 64 GLU HA H 3.335 0.002 . 686 64 64 GLU HB2 H 2.544 0.005 . 687 64 64 GLU HB3 H 2.408 0.007 . 688 64 64 GLU HG2 H 2.236 0.005 . 689 64 64 GLU HG3 H 2.236 0.005 . 690 64 64 GLU C C 175.250 0.000 . 691 64 64 GLU CA C 58.146 0.000 . 692 64 64 GLU CB C 25.854 0.000 . 693 64 64 GLU CG C 37.193 0.000 . 694 65 65 SER H H 7.670 0.000 . 695 65 65 SER HA H 4.624 0.003 . 696 65 65 SER HB2 H 3.888 0.004 . 697 65 65 SER HB3 H 3.628 0.003 . 698 65 65 SER C C 172.160 0.000 . 699 65 65 SER CA C 60.611 0.000 . 700 65 65 SER CB C 64.801 0.000 . 701 65 65 SER N N 114.730 0.000 . 702 66 66 THR H H 8.730 0.000 . 703 66 66 THR HA H 5.271 0.007 . 704 66 66 THR HB H 4.025 0.006 . 705 66 66 THR HG2 H 0.878 0.007 . 706 66 66 THR C C 173.950 0.000 . 707 66 66 THR CA C 62.336 0.000 . 708 66 66 THR CB C 69.978 0.000 . 709 66 66 THR CG2 C 21.171 0.000 . 710 66 66 THR N N 117.110 0.000 . 711 67 67 LEU HA H 5.075 0.002 . 712 67 67 LEU HB2 H 1.608 0.003 . 713 67 67 LEU HB3 H 1.608 0.003 . 714 67 67 LEU HG H 1.748 0.004 . 715 67 67 LEU HD1 H 0.644 0.008 . 716 67 67 LEU HD2 H 0.682 0.004 . 717 67 67 LEU CA C 53.709 0.000 . 718 67 67 LEU CB C 44.342 0.000 . 719 67 67 LEU CG C 29.552 0.000 . 720 67 67 LEU CD1 C 25.361 0.000 . 721 67 67 LEU CD2 C 24.868 0.000 . 722 68 68 HIS HB2 H 2.624 0.002 . 723 68 68 HIS HB3 H 2.553 0.002 . 724 68 68 HIS CB C 33.249 0.000 . 725 69 69 LEU HA H 5.184 0.003 . 726 69 69 LEU HB2 H 1.594 0.007 . 727 69 69 LEU HB3 H 1.084 0.003 . 728 69 69 LEU HG H 1.308 0.002 . 729 69 69 LEU HD1 H 0.784 0.032 . 730 69 69 LEU HD2 H 0.710 0.002 . 731 69 69 LEU CA C 53.462 0.000 . 732 69 69 LEU CB C 44.342 0.000 . 733 69 69 LEU CG C 27.580 0.000 . 734 69 69 LEU CD1 C 24.129 0.000 . 735 69 69 LEU CD2 C 26.101 0.000 . 736 70 70 VAL HA H 4.324 0.007 . 737 70 70 VAL HB H 2.011 0.006 . 738 70 70 VAL HG1 H 0.852 0.002 . 739 70 70 VAL HG2 H 1.039 0.000 . 740 70 70 VAL CA C 60.364 0.000 . 741 70 70 VAL CB C 34.728 0.000 . 742 70 70 VAL CG1 C 20.678 0.000 . 743 70 70 VAL CG2 C 20.678 0.000 . 744 71 71 LEU HA H 5.072 0.007 . 745 71 71 LEU HB2 H 1.678 0.004 . 746 71 71 LEU HB3 H 1.516 0.004 . 747 71 71 LEU HG H 1.674 0.004 . 748 71 71 LEU HD1 H 0.961 0.003 . 749 71 71 LEU HD2 H 0.849 0.002 . 750 71 71 LEU CA C 53.709 0.000 . 751 71 71 LEU CB C 42.616 0.000 . 752 71 71 LEU CG C 27.580 0.000 . 753 71 71 LEU CD1 C 24.868 0.000 . 754 71 71 LEU CD2 C 23.882 0.000 . 755 72 72 ARG HA H 4.346 0.004 . 756 72 72 ARG HB2 H 1.785 0.003 . 757 72 72 ARG HB3 H 1.549 0.003 . 758 72 72 ARG HG2 H 1.581 0.083 . 759 72 72 ARG HG3 H 1.549 0.001 . 760 72 72 ARG HD2 H 3.155 0.007 . 761 72 72 ARG HD3 H 3.155 0.007 . 762 72 72 ARG CA C 55.434 0.000 . 763 72 72 ARG CB C 31.277 0.000 . 764 72 72 ARG CG C 27.333 0.000 . 765 72 72 ARG CD C 43.602 0.000 . 766 73 73 LEU HA H 4.365 0.003 . 767 73 73 LEU HB2 H 1.660 0.003 . 768 73 73 LEU HB3 H 1.602 0.005 . 769 73 73 LEU HG H 1.644 0.001 . 770 73 73 LEU HD1 H 0.850 0.001 . 771 73 73 LEU HD2 H 0.923 0.002 . 772 73 73 LEU CA C 55.188 0.000 . 773 73 73 LEU CB C 42.123 0.000 . 774 73 73 LEU CG C 27.333 0.000 . 775 73 73 LEU CD1 C 23.389 0.000 . 776 73 73 LEU CD2 C 24.868 0.000 . 777 74 74 ARG HA H 4.324 0.003 . 778 74 74 ARG HB2 H 1.872 0.001 . 779 74 74 ARG HB3 H 1.774 0.001 . 780 74 74 ARG HG2 H 1.636 0.006 . 781 74 74 ARG HG3 H 1.636 0.006 . 782 74 74 ARG HD2 H 3.191 0.002 . 783 74 74 ARG HD3 H 3.191 0.002 . 784 74 74 ARG CA C 55.927 0.000 . 785 74 74 ARG CB C 30.784 0.000 . 786 74 74 ARG CG C 26.840 0.000 . 787 74 74 ARG CD C 43.109 0.000 . 788 75 75 GLY HA2 H 3.982 0.009 . 789 75 75 GLY HA3 H 3.915 0.003 . 790 75 75 GLY CA C 45.088 0.004 . 791 77 77 ASP HA H 4.407 0.004 . 792 77 77 ASP HB2 H 2.689 0.002 . 793 77 77 ASP HB3 H 2.558 0.002 . 794 77 77 ASP CA C 55.681 0.000 . 795 77 77 ASP CB C 42.123 0.000 . stop_ save_ save_assigned_chem_shift_list_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D half-filtered 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ubiquitin receptor, chain D' _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 HA H 4.218 0.004 . 2 1 1 MET HB2 H 2.111 0.015 . 3 1 1 MET HB3 H 2.065 0.003 . 4 1 1 MET HG2 H 2.558 0.006 . 5 1 1 MET HG3 H 1.962 0.005 . 6 1 1 MET HE H 1.632 0.003 . 7 1 1 MET C C 170.54 0.000 . 8 1 1 MET CA C 54.202 0.000 . 9 1 1 MET CB C 33.003 0.000 . 10 1 1 MET CG C 30.784 0.000 . 11 1 1 MET CE C 17.719 0.000 . 12 2 2 GLN H H 8.900 0.000 . 13 2 2 GLN HA H 5.285 0.005 . 14 2 2 GLN HB2 H 1.853 0.001 . 15 2 2 GLN HB3 H 1.619 0.004 . 16 2 2 GLN HG2 H 2.228 0.002 . 17 2 2 GLN HG3 H 1.890 0.004 . 18 2 2 GLN HE21 H 7.65 0.000 . 19 2 2 GLN HE22 H 6.79 0.000 . 20 2 2 GLN C C 175.92 0.000 . 21 2 2 GLN CA C 54.941 0.000 . 22 2 2 GLN CB C 30.538 0.000 . 23 2 2 GLN CG C 34.482 0.000 . 24 2 2 GLN N N 123.22 0.000 . 25 2 2 GLN NE2 N 111.95 0.000 . 26 3 3 ILE H H 8.327 0.002 . 27 3 3 ILE HA H 4.158 0.006 . 28 3 3 ILE HB H 1.747 0.002 . 29 3 3 ILE HG12 H 0.832 0.001 . 30 3 3 ILE HG13 H 0.832 0.001 . 31 3 3 ILE HG2 H 0.620 0.011 . 32 3 3 ILE HD1 H 0.582 0.006 . 33 3 3 ILE C C 172.45 0.000 . 34 3 3 ILE CA C 59.625 0.000 . 35 3 3 ILE CB C 42.123 0.000 . 36 3 3 ILE CG1 C 25.115 0.000 . 37 3 3 ILE CG2 C 17.719 0.000 . 38 3 3 ILE CD1 C 14.022 0.000 . 39 3 3 ILE N N 115.34 0.000 . 40 4 4 PHE H H 8.605 0.005 . 41 4 4 PHE HA H 5.577 0.010 . 42 4 4 PHE HB2 H 3.028 0.007 . 43 4 4 PHE HB3 H 2.853 0.012 . 44 4 4 PHE HD1 H 7.058 0.005 . 45 4 4 PHE HD2 H 7.058 0.005 . 46 4 4 PHE HE1 H 7.231 0.004 . 47 4 4 PHE HE2 H 7.231 0.004 . 48 4 4 PHE HZ H 7.232 0.000 . 49 4 4 PHE C C 175.32 0.000 . 50 4 4 PHE CA C 55.188 0.000 . 51 4 4 PHE CB C 41.137 0.000 . 52 4 4 PHE CD1 C 132.084 0.000 . 53 4 4 PHE CD2 C 132.084 0.000 . 54 4 4 PHE CE1 C 130.921 0.000 . 55 4 4 PHE CE2 C 130.921 0.000 . 56 4 4 PHE CZ C 129.487 0.000 . 57 4 4 PHE N N 118.11 0.000 . 58 5 5 VAL H H 9.341 0.003 . 59 5 5 VAL HA H 4.805 0.009 . 60 5 5 VAL HB H 1.902 0.004 . 61 5 5 VAL HG1 H 0.679 0.006 . 62 5 5 VAL HG2 H 0.719 0.002 . 63 5 5 VAL C C 174.87 0.000 . 64 5 5 VAL CA C 60.364 0.000 . 65 5 5 VAL CB C 33.742 0.000 . 66 5 5 VAL CG1 C 22.403 0.000 . 67 5 5 VAL CG2 C 20.678 0.000 . 68 6 6 LYS H H 8.820 0.000 . 69 6 6 LYS HA H 5.327 0.007 . 70 6 6 LYS HB2 H 1.643 0.102 . 71 6 6 LYS HB3 H 1.363 0.001 . 72 6 6 LYS HG2 H 1.496 0.004 . 73 6 6 LYS HG3 H 1.266 0.005 . 74 6 6 LYS HD2 H 1.565 0.009 . 75 6 6 LYS HD3 H 1.565 0.009 . 76 6 6 LYS HE2 H 2.891 0.002 . 77 6 6 LYS HE3 H 2.891 0.002 . 78 6 6 LYS C C 177.14 0.000 . 79 6 6 LYS CA C 54.448 0.000 . 80 6 6 LYS CB C 34.482 0.000 . 81 6 6 LYS CG C 24.868 0.000 . 82 6 6 LYS CD C 29.059 0.000 . 83 6 6 LYS CE C 41.630 0.000 . 84 6 6 LYS N N 127.52 0.000 . 85 7 7 THR HA H 4.986 0.051 . 86 7 7 THR HB H 4.812 0.002 . 87 7 7 THR HG2 H 1.189 0.003 . 88 7 7 THR CA C 60.364 0.000 . 89 7 7 THR CB C 70.471 0.000 . 90 7 7 THR CG2 C 21.417 0.000 . 91 8 8 LEU HA H 4.331 0.004 . 92 8 8 LEU HB2 H 1.911 0.008 . 93 8 8 LEU HB3 H 1.911 0.008 . 94 8 8 LEU HG H 1.868 0.003 . 95 8 8 LEU HD1 H 1.018 0.028 . 96 8 8 LEU HD2 H 1.099 0.045 . 97 8 8 LEU CA C 57.160 0.000 . 98 8 8 LEU CB C 41.630 0.000 . 99 8 8 LEU CG C 27.333 0.000 . 100 8 8 LEU CD1 C 23.636 0.000 . 101 8 8 LEU CD2 C 25.115 0.000 . 102 9 9 THR HA H 4.423 0.004 . 103 9 9 THR HB H 4.587 0.003 . 104 9 9 THR HG2 H 1.247 0.002 . 105 9 9 THR CA C 61.104 0.000 . 106 9 9 THR CB C 68.992 0.000 . 107 9 9 THR CG2 C 21.664 0.000 . 108 10 10 GLY H H 7.810 0.000 . 109 10 10 GLY HA2 H 4.327 0.003 . 110 10 10 GLY HA3 H 3.614 0.002 . 111 10 10 GLY C C 174.07 0.000 . 112 10 10 GLY CA C 45.328 0.000 . 113 10 10 GLY N N 108.890 0.000 . 114 11 11 LYS HA H 4.362 0.002 . 115 11 11 LYS HB2 H 1.802 0.002 . 116 11 11 LYS HB3 H 1.695 0.002 . 117 11 11 LYS HG2 H 1.399 0.003 . 118 11 11 LYS HG3 H 1.399 0.003 . 119 11 11 LYS HD2 H 1.614 0.007 . 120 11 11 LYS HD3 H 1.614 0.007 . 121 11 11 LYS HE2 H 2.901 0.003 . 122 11 11 LYS HE3 H 2.901 0.003 . 123 11 11 LYS CA C 56.174 0.000 . 124 11 11 LYS CB C 33.249 0.000 . 125 11 11 LYS CG C 25.115 0.000 . 126 11 11 LYS CD C 29.059 0.000 . 127 11 11 LYS CE C 41.630 0.000 . 128 12 12 THR HA H 5.033 0.002 . 129 12 12 THR HB H 3.931 0.002 . 130 12 12 THR HG2 H 1.070 0.002 . 131 12 12 THR CA C 62.090 0.000 . 132 12 12 THR CB C 69.731 0.000 . 133 12 12 THR CG2 C 21.664 0.000 . 134 13 13 ILE H H 8.295 0.004 . 135 13 13 ILE HA H 4.469 0.004 . 136 13 13 ILE HB H 1.860 0.004 . 137 13 13 ILE HG12 H 1.435 0.003 . 138 13 13 ILE HG13 H 1.076 0.006 . 139 13 13 ILE HG2 H 0.870 0.004 . 140 13 13 ILE HD1 H 0.705 0.005 . 141 13 13 ILE CA C 59.871 0.000 . 142 13 13 ILE CB C 40.644 0.000 . 143 13 13 ILE CG1 C 26.840 0.000 . 144 13 13 ILE CG2 C 17.719 0.000 . 145 13 13 ILE CD1 C 14.515 0.000 . 146 14 14 THR H H 8.705 0.000 . 147 14 14 THR HA H 4.946 0.005 . 148 14 14 THR HB H 4.026 0.003 . 149 14 14 THR HG2 H 1.124 0.005 . 150 14 14 THR CA C 61.843 0.000 . 151 14 14 THR CB C 69.485 0.000 . 152 14 14 THR CG2 C 21.664 0.000 . 153 15 15 LEU H H 8.703 0.001 . 154 15 15 LEU HA H 4.761 0.005 . 155 15 15 LEU HB2 H 1.349 0.003 . 156 15 15 LEU HB3 H 1.196 0.008 . 157 15 15 LEU HG H 1.411 0.010 . 158 15 15 LEU HD1 H 0.704 0.004 . 159 15 15 LEU HD2 H 0.753 0.004 . 160 15 15 LEU C C 174.67 0.000 . 161 15 15 LEU CA C 52.723 0.000 . 162 15 15 LEU CB C 46.807 0.000 . 163 15 15 LEU CG C 26.840 0.000 . 164 15 15 LEU CD1 C 27.087 0.000 . 165 15 15 LEU CD2 C 23.882 0.000 . 166 15 15 LEU N N 124.80 0.000 . 167 16 16 GLU H H 8.140 0.000 . 168 16 16 GLU HA H 4.884 0.004 . 169 16 16 GLU HB2 H 1.906 0.004 . 170 16 16 GLU HB3 H 1.820 0.001 . 171 16 16 GLU HG2 H 2.226 0.003 . 172 16 16 GLU HG3 H 2.071 0.004 . 173 16 16 GLU C C 175.86 0.000 . 174 16 16 GLU CA C 54.695 0.000 . 175 16 16 GLU CB C 29.552 0.000 . 176 16 16 GLU CG C 35.468 0.000 . 177 16 16 GLU N N 122.160 0.000 . 178 17 17 VAL H H 8.900 0.000 . 179 17 17 VAL HA H 4.698 0.007 . 180 17 17 VAL HB H 2.329 0.004 . 181 17 17 VAL HG1 H 0.422 0.007 . 182 17 17 VAL HG2 H 0.705 0.005 . 183 17 17 VAL C C 174.160 0.000 . 184 17 17 VAL CA C 58.392 0.000 . 185 17 17 VAL CB C 36.207 0.000 . 186 17 17 VAL CG1 C 19.445 0.000 . 187 17 17 VAL CG2 C 22.157 0.000 . 188 17 17 VAL N N 117.210 0.000 . 189 18 18 GLU H H 8.640 0.000 . 190 18 18 GLU HA H 5.069 0.002 . 191 18 18 GLU HB2 H 2.141 0.004 . 192 18 18 GLU HB3 H 1.590 0.009 . 193 18 18 GLU HG2 H 2.333 0.003 . 194 18 18 GLU HG3 H 2.207 0.005 . 195 18 18 GLU C C 176.160 0.000 . 196 18 18 GLU CA C 52.723 0.000 . 197 18 18 GLU CB C 30.784 0.000 . 198 18 18 GLU CG C 34.975 0.000 . 199 18 18 GLU N N 118.99 0.000 . 200 19 19 PRO HA H 4.116 0.005 . 201 19 19 PRO HB2 H 2.426 0.007 . 202 19 19 PRO HB3 H 1.996 0.008 . 203 19 19 PRO HG2 H 2.200 0.003 . 204 19 19 PRO HG3 H 2.063 0.002 . 205 19 19 PRO HD2 H 3.999 0.004 . 206 19 19 PRO HD3 H 3.798 0.004 . 207 19 19 PRO C C 175.310 0.000 . 208 19 19 PRO CA C 65.294 0.000 . 209 19 19 PRO CB C 31.770 0.000 . 210 19 19 PRO CG C 27.826 0.000 . 211 19 19 PRO CD C 50.258 0.000 . 212 20 20 SER H H 7.040 0.000 . 213 20 20 SER HA H 4.355 0.004 . 214 20 20 SER HB2 H 4.140 0.003 . 215 20 20 SER HB3 H 3.773 0.004 . 216 20 20 SER C C 174.66 0.000 . 217 20 20 SER CA C 57.160 0.000 . 218 20 20 SER CB C 63.322 0.000 . 219 20 20 SER N N 103.400 0.000 . 220 21 21 ASP H H 8.069 0.001 . 221 21 21 ASP HA H 4.675 0.005 . 222 21 21 ASP HB2 H 2.939 0.003 . 223 21 21 ASP HB3 H 2.503 0.009 . 224 21 21 ASP C C 176.36 0.000 . 225 21 21 ASP CA C 55.681 0.000 . 226 21 21 ASP CB C 40.891 0.000 . 227 21 21 ASP N N 123.480 0.000 . 228 22 22 THR H H 7.900 0.000 . 229 22 22 THR HA H 4.919 0.004 . 230 22 22 THR HB H 4.802 0.007 . 231 22 22 THR HG2 H 1.254 0.003 . 232 22 22 THR C C 176.750 0.000 . 233 22 22 THR CA C 59.378 0.000 . 234 22 22 THR CB C 70.964 0.000 . 235 22 22 THR CG2 C 22.157 0.000 . 236 22 22 THR N N 108.800 0.000 . 237 23 23 ILE H H 8.571 0.004 . 238 23 23 ILE HA H 3.626 0.005 . 239 23 23 ILE HB H 2.502 0.007 . 240 23 23 ILE HG12 H 1.904 0.000 . 241 23 23 ILE HG13 H 1.290 0.000 . 242 23 23 ILE HG2 H 0.777 0.006 . 243 23 23 ILE HD1 H 0.575 0.005 . 244 23 23 ILE C C 179.040 0.000 . 245 23 23 ILE CA C 62.090 0.000 . 246 23 23 ILE CB C 34.482 0.000 . 247 23 23 ILE CG1 C 27.826 0.000 . 248 23 23 ILE CG2 C 17.966 0.000 . 249 23 23 ILE CD1 C 9.280 0.000 . 250 23 23 ILE N N 121.190 0.000 . 251 24 24 GLU H H 9.760 0.000 . 252 24 24 GLU HA H 3.879 0.004 . 253 24 24 GLU HB2 H 2.050 0.003 . 254 24 24 GLU HB3 H 2.006 0.004 . 255 24 24 GLU HG2 H 2.363 0.005 . 256 24 24 GLU HG3 H 2.298 0.005 . 257 24 24 GLU C C 178.640 0.000 . 258 24 24 GLU CA C 60.364 0.000 . 259 24 24 GLU CB C 28.566 0.000 . 260 24 24 GLU CG C 35.961 0.000 . 261 24 24 GLU N N 120.830 0.000 . 262 25 25 ASN H H 7.920 0.000 . 263 25 25 ASN HA H 4.544 0.002 . 264 25 25 ASN HB2 H 3.207 0.004 . 265 25 25 ASN HB3 H 2.857 0.006 . 266 25 25 ASN HD21 H 7.820 0.000 . 267 25 25 ASN HD22 H 6.890 0.000 . 268 25 25 ASN C C 178.380 0.000 . 269 25 25 ASN CA C 55.681 0.000 . 270 25 25 ASN CB C 38.179 0.000 . 271 25 25 ASN N N 120.570 0.000 . 272 25 25 ASN ND2 N 109.700 0.000 . 273 26 26 VAL H H 8.140 0.003 . 274 26 26 VAL HA H 3.385 0.004 . 275 26 26 VAL HB H 2.337 0.005 . 276 26 26 VAL HG1 H 0.693 0.003 . 277 26 26 VAL HG2 H 0.973 0.004 . 278 26 26 VAL C C 177.950 0.000 . 279 26 26 VAL CA C 67.513 0.000 . 280 26 26 VAL CB C 30.784 0.000 . 281 26 26 VAL CG1 C 21.417 0.000 . 282 26 26 VAL CG2 C 23.636 0.000 . 283 26 26 VAL N N 121.71 0.000 . 284 27 27 LYS H H 8.578 0.006 . 285 27 27 LYS HA H 4.575 0.107 . 286 27 27 LYS HB2 H 2.011 0.005 . 287 27 27 LYS HB3 H 2.011 0.005 . 288 27 27 LYS HD2 H 1.634 0.004 . 289 27 27 LYS HD3 H 1.634 0.004 . 290 27 27 LYS HE2 H 2.627 0.008 . 291 27 27 LYS HE3 H 2.627 0.008 . 292 27 27 LYS CA C 59.132 0.000 . 293 27 27 LYS CB C 33.496 0.000 . 294 27 27 LYS CD C 30.291 0.000 . 295 27 27 LYS CE C 42.123 0.000 . 296 27 27 LYS N N 118.860 0.000 . 297 28 28 ALA H H 8.060 0.000 . 298 28 28 ALA HA H 4.151 0.005 . 299 28 28 ALA HB H 1.628 0.004 . 300 28 28 ALA C C 180.300 0.000 . 301 28 28 ALA CA C 55.188 0.000 . 302 28 28 ALA CB C 17.719 0.000 . 303 28 28 ALA N N 123.440 0.000 . 304 29 29 LYS H H 7.850 0.000 . 305 29 29 LYS HA H 4.191 0.007 . 306 29 29 LYS HB2 H 1.939 0.013 . 307 29 29 LYS HB3 H 2.137 0.008 . 308 29 29 LYS HG2 H 1.785 0.006 . 309 29 29 LYS HG3 H 1.594 0.006 . 310 29 29 LYS HD2 H 1.788 0.004 . 311 29 29 LYS HD3 H 1.446 0.008 . 312 29 29 LYS HE2 H 3.175 0.004 . 313 29 29 LYS HE3 H 2.967 0.004 . 314 29 29 LYS C C 180.320 0.000 . 315 29 29 LYS CA C 59.625 0.000 . 316 29 29 LYS CB C 33.249 0.000 . 317 29 29 LYS CG C 26.347 0.000 . 318 29 29 LYS CD C 30.045 0.000 . 319 29 29 LYS CE C 42.123 0.000 . 320 29 29 LYS N N 119.940 0.000 . 321 30 30 ILE H H 8.291 0.003 . 322 30 30 ILE HA H 3.500 0.004 . 323 30 30 ILE HB H 2.344 0.003 . 324 30 30 ILE HG12 H 2.010 0.003 . 325 30 30 ILE HG13 H 0.695 0.007 . 326 30 30 ILE HG2 H 0.690 0.005 . 327 30 30 ILE HD1 H 0.883 0.004 . 328 30 30 ILE C C 178.310 0.000 . 329 30 30 ILE CA C 66.034 0.000 . 330 30 30 ILE CB C 36.700 0.000 . 331 30 30 ILE CG1 C 31.031 0.000 . 332 30 30 ILE CG2 C 16.980 0.000 . 333 30 30 ILE CD1 C 15.008 0.000 . 334 30 30 ILE N N 121.080 0.000 . 335 31 31 GLN H H 8.580 0.000 . 336 31 31 GLN HA H 3.810 0.009 . 337 31 31 GLN HB2 H 2.486 0.006 . 338 31 31 GLN HB3 H 1.629 0.005 . 339 31 31 GLN HG2 H 2.268 0.004 . 340 31 31 GLN HG3 H 1.926 0.009 . 341 31 31 GLN HE21 H 7.630 0.000 . 342 31 31 GLN HE22 H 6.800 0.000 . 343 31 31 GLN C C 178.89 0.000 . 344 31 31 GLN CA C 59.871 0.000 . 345 31 31 GLN CB C 27.580 0.000 . 346 31 31 GLN CG C 33.742 0.000 . 347 31 31 GLN N N 123.490 0.000 . 348 31 31 GLN NE2 N 109.850 0.000 . 349 32 32 ASP H H 8.010 0.000 . 350 32 32 ASP HA H 4.322 0.001 . 351 32 32 ASP HB2 H 2.834 0.005 . 352 32 32 ASP HB3 H 2.736 0.004 . 353 32 32 ASP C C 177.250 0.000 . 354 32 32 ASP CA C 57.160 0.000 . 355 32 32 ASP CB C 40.891 0.000 . 356 32 32 ASP N N 119.360 0.000 . 357 33 33 LYS H H 7.430 0.000 . 358 33 33 LYS HA H 4.293 0.005 . 359 33 33 LYS HB2 H 1.990 0.044 . 360 33 33 LYS HB3 H 1.850 0.002 . 361 33 33 LYS HG2 H 1.597 0.004 . 362 33 33 LYS HG3 H 1.597 0.004 . 363 33 33 LYS HD2 H 1.704 0.002 . 364 33 33 LYS HD3 H 1.704 0.002 . 365 33 33 LYS HE2 H 3.165 0.001 . 366 33 33 LYS HE3 H 3.115 0.002 . 367 33 33 LYS C C 177.870 0.000 . 368 33 33 LYS CA C 58.146 0.000 . 369 33 33 LYS CB C 33.989 0.000 . 370 33 33 LYS CG C 25.115 0.000 . 371 33 33 LYS CD C 28.566 0.000 . 372 33 33 LYS CE C 41.877 0.000 . 373 33 33 LYS N N 115.130 0.000 . 374 34 34 GLU H H 8.740 0.000 . 375 34 34 GLU HA H 4.563 0.004 . 376 34 34 GLU HB2 H 2.266 0.004 . 377 34 34 GLU HB3 H 1.665 0.006 . 378 34 34 GLU HG2 H 2.158 0.003 . 379 34 34 GLU HG3 H 2.055 0.010 . 380 34 34 GLU C C 173.960 0.000 . 381 34 34 GLU CA C 55.188 0.000 . 382 34 34 GLU CB C 33.249 0.000 . 383 34 34 GLU CG C 36.207 0.000 . 384 34 34 GLU N N 108.650 0.000 . 385 35 35 GLY H H 6.150 0.000 . 386 35 35 GLY HA2 H 4.121 0.001 . 387 35 35 GLY HA3 H 3.914 0.001 . 388 35 35 GLY C C 173.960 0.000 . 389 35 35 GLY CA C 45.821 0.000 . 390 35 35 GLY N N 108.650 0.000 . 391 36 36 ILE H H 6.150 0.000 . 392 36 36 ILE HA H 4.397 0.003 . 393 36 36 ILE HB H 1.407 0.008 . 394 36 36 ILE HG12 H 1.069 0.007 . 395 36 36 ILE HG13 H 1.069 0.007 . 396 36 36 ILE HG2 H 0.926 0.006 . 397 36 36 ILE HD1 H 0.777 0.004 . 398 36 36 ILE C C 173.59 0.000 . 399 36 36 ILE CA C 57.653 0.000 . 400 36 36 ILE CB C 40.398 0.000 . 401 36 36 ILE CG2 C 17.719 0.000 . 402 36 36 ILE CD1 C 13.529 0.000 . 403 36 36 ILE N N 119.880 0.000 . 404 37 37 PRO HA H 4.628 0.005 . 405 37 37 PRO HB2 H 2.416 0.006 . 406 37 37 PRO HB3 H 1.963 0.003 . 407 37 37 PRO HG2 H 2.107 0.002 . 408 37 37 PRO HG3 H 2.041 0.001 . 409 37 37 PRO HD2 H 4.200 0.002 . 410 37 37 PRO HD3 H 3.559 0.003 . 411 37 37 PRO C C 176.940 0.000 . 412 37 37 PRO CA C 61.597 0.000 . 413 37 37 PRO CB C 31.770 0.000 . 414 37 37 PRO CG C 28.073 0.000 . 415 37 37 PRO CD C 50.997 0.000 . 416 38 38 PRO HA H 4.121 0.002 . 417 38 38 PRO HB2 H 2.244 0.007 . 418 38 38 PRO HB3 H 2.015 0.004 . 419 38 38 PRO HG2 H 2.186 0.008 . 420 38 38 PRO HG3 H 1.637 0.006 . 421 38 38 PRO HD2 H 3.757 0.005 . 422 38 38 PRO HD3 H 3.757 0.005 . 423 38 38 PRO C C 178.320 0.000 . 424 38 38 PRO CA C 66.034 0.000 . 425 38 38 PRO CB C 32.756 0.000 . 426 38 38 PRO CG C 27.580 0.000 . 427 38 38 PRO CD C 50.997 0.000 . 428 39 39 ASP H H 8.550 0.000 . 429 39 39 ASP HA H 4.401 0.002 . 430 39 39 ASP HB2 H 2.764 0.002 . 431 39 39 ASP HB3 H 2.665 0.002 . 432 39 39 ASP C C 177.090 0.000 . 433 39 39 ASP CA C 55.188 0.000 . 434 39 39 ASP CB C 39.658 0.000 . 435 39 39 ASP N N 113.380 0.000 . 436 40 40 GLN H H 7.820 0.000 . 437 40 40 GLN HA H 4.465 0.004 . 438 40 40 GLN HB2 H 2.456 0.004 . 439 40 40 GLN HB3 H 1.839 0.005 . 440 40 40 GLN HG2 H 2.406 0.004 . 441 40 40 GLN HG3 H 2.406 0.004 . 442 40 40 GLN HE21 H 7.630 0.000 . 443 40 40 GLN HE22 H 6.740 0.000 . 444 40 40 GLN C C 175.380 0.000 . 445 40 40 GLN CA C 55.434 0.000 . 446 40 40 GLN CB C 30.045 0.000 . 447 40 40 GLN CG C 34.482 0.000 . 448 40 40 GLN N N 116.780 0.000 . 449 40 40 GLN NE2 N 110.750 0.000 . 450 41 41 GLN H H 7.480 0.000 . 451 41 41 GLN HA H 4.206 0.003 . 452 41 41 GLN HB2 H 1.918 0.004 . 453 41 41 GLN HB3 H 1.918 0.004 . 454 41 41 GLN HG2 H 1.645 0.004 . 455 41 41 GLN HG3 H 1.645 0.004 . 456 41 41 GLN HE21 H 6.220 0.000 . 457 41 41 GLN HE22 H 6.520 0.000 . 458 41 41 GLN C C 176.300 0.000 . 459 41 41 GLN CA C 56.420 0.000 . 460 41 41 GLN CB C 31.524 0.000 . 461 41 41 GLN CG C 33.496 0.000 . 462 41 41 GLN N N 117.720 0.000 . 463 41 41 GLN NE2 N 104.170 0.000 . 464 42 42 ARG HA H 4.485 0.007 . 465 42 42 ARG HB2 H 1.723 0.005 . 466 42 42 ARG HB3 H 1.636 0.002 . 467 42 42 ARG HG2 H 1.414 0.000 . 468 42 42 ARG HG3 H 1.414 0.000 . 469 42 42 ARG HD2 H 3.136 0.001 . 470 42 42 ARG HD3 H 3.022 0.005 . 471 42 42 ARG CA C 54.941 0.000 . 472 42 42 ARG CB C 31.524 0.000 . 473 42 42 ARG CG C 26.840 0.000 . 474 42 42 ARG CD C 43.602 0.000 . 475 43 43 LEU HA H 5.370 0.005 . 476 43 43 LEU HB2 H 1.563 0.004 . 477 43 43 LEU HB3 H 1.146 0.001 . 478 43 43 LEU HG H 1.460 0.005 . 479 43 43 LEU HD1 H 0.758 0.004 . 480 43 43 LEU HD2 H 0.795 0.003 . 481 43 43 LEU CA C 52.969 0.000 . 482 43 43 LEU CB C 45.574 0.000 . 483 43 43 LEU CG C 27.087 0.000 . 484 43 43 LEU CD1 C 26.347 0.000 . 485 43 43 LEU CD2 C 24.129 0.000 . 486 44 44 ILE HA H 4.919 0.004 . 487 44 44 ILE HB H 1.477 0.001 . 488 44 44 ILE HG12 H 1.083 0.080 . 489 44 44 ILE HG13 H 1.359 0.006 . 490 44 44 ILE HG2 H 0.697 0.006 . 491 44 44 ILE HD1 H 0.681 0.000 . 492 44 44 ILE CA C 58.885 0.000 . 493 44 44 ILE CG1 C 27.826 0.000 . 494 44 44 ILE CG2 C 17.473 0.000 . 495 44 44 ILE CD1 C 13.037 0.000 . 496 45 45 PHE HA H 5.167 0.011 . 497 45 45 PHE HB2 H 3.025 0.010 . 498 45 45 PHE HB3 H 2.784 0.014 . 499 45 45 PHE HD1 H 7.352 0.006 . 500 45 45 PHE HD2 H 7.352 0.006 . 501 45 45 PHE HE1 H 7.515 0.005 . 502 45 45 PHE HE2 H 7.515 0.005 . 503 45 45 PHE HZ H 7.469 0.002 . 504 45 45 PHE CA C 56.420 0.000 . 505 45 45 PHE CB C 43.697 0.031 . 506 45 45 PHE CD1 C 132.370 0.000 . 507 45 45 PHE CD2 C 132.370 0.000 . 508 45 45 PHE CE1 C 132.165 0.000 . 509 45 45 PHE CE2 C 132.165 0.000 . 510 45 45 PHE CZ C 129.974 0.000 . 511 46 46 ALA HA H 3.683 0.000 . 512 46 46 ALA HB H 0.843 0.000 . 513 46 46 ALA CA C 52.281 0.000 . 514 46 46 ALA CB C 16.241 0.000 . 515 47 47 GLY HA2 H 4.080 0.008 . 516 47 47 GLY HA3 H 4.080 0.008 . 517 47 47 GLY CA C 45.082 0.000 . 518 48 48 ARG HA H 4.704 0.005 . 519 48 48 ARG HB2 H 1.957 0.000 . 520 48 48 ARG HB3 H 1.873 0.000 . 521 48 48 ARG HG2 H 1.764 0.005 . 522 48 48 ARG HG3 H 1.697 0.005 . 523 48 48 ARG HD2 H 3.367 0.000 . 524 48 48 ARG HD3 H 3.367 0.000 . 525 48 48 ARG CA C 54.203 0.000 . 526 48 48 ARG CB C 32.511 0.000 . 527 48 48 ARG CG C 26.599 0.005 . 528 48 48 ARG CD C 43.603 0.000 . 529 49 49 GLN HA H 4.698 0.008 . 530 49 49 GLN HB2 H 1.967 0.007 . 531 49 49 GLN HB3 H 1.762 0.001 . 532 49 49 GLN HG2 H 2.232 0.008 . 533 49 49 GLN HG3 H 2.232 0.008 . 534 49 49 GLN CA C 55.681 0.000 . 535 49 49 GLN CB C 29.059 0.000 . 536 49 49 GLN CG C 34.483 0.000 . 537 50 50 LEU HA H 4.069 0.007 . 538 50 50 LEU HB2 H 1.475 0.006 . 539 50 50 LEU HB3 H 1.034 0.004 . 540 50 50 LEU HG H 1.481 0.002 . 541 50 50 LEU HD1 H 0.511 0.003 . 542 50 50 LEU HD2 H -0.164 0.003 . 543 50 50 LEU CA C 54.202 0.000 . 544 50 50 LEU CB C 41.137 0.000 . 545 50 50 LEU CG C 25.854 0.000 . 546 50 50 LEU CD1 C 25.854 0.000 . 547 50 50 LEU CD2 C 19.445 0.000 . 548 51 51 GLU HA H 4.495 0.002 . 549 51 51 GLU HB2 H 2.455 0.000 . 550 51 51 GLU HB3 H 2.455 0.000 . 551 51 51 GLU HG2 H 2.454 0.003 . 552 51 51 GLU HG3 H 2.346 0.005 . 553 51 51 GLU CA C 55.927 0.000 . 554 51 51 GLU CG C 36.454 0.000 . 555 52 52 ASP HA H 4.370 0.004 . 556 52 52 ASP CA C 56.420 0.000 . 557 54 54 ARG H H 7.460 0.000 . 558 54 54 ARG HA H 4.702 0.006 . 559 54 54 ARG HB2 H 2.231 0.000 . 560 54 54 ARG HB3 H 2.078 0.000 . 561 54 54 ARG HG2 H 1.822 0.005 . 562 54 54 ARG HG3 H 1.620 0.004 . 563 54 54 ARG HD2 H 3.137 0.003 . 564 54 54 ARG HD3 H 3.072 0.004 . 565 54 54 ARG C C 175.350 0.000 . 566 54 54 ARG CA C 54.202 0.000 . 567 54 54 ARG CB C 32.510 0.000 . 568 54 54 ARG CG C 27.333 0.000 . 569 54 54 ARG CD C 42.863 0.000 . 570 54 54 ARG N N 119.05 0.000 . 571 55 55 THR H H 8.730 0.000 . 572 55 55 THR HA H 5.228 0.005 . 573 55 55 THR HB H 4.559 0.163 . 574 55 55 THR HG2 H 1.119 0.008 . 575 55 55 THR C C 176.560 0.000 . 576 55 55 THR CA C 59.378 0.000 . 577 55 55 THR CB C 72.196 0.000 . 578 55 55 THR CG2 C 22.157 0.000 . 579 55 55 THR N N 108.400 0.000 . 580 56 56 LEU H H 8.140 0.000 . 581 56 56 LEU HA H 4.064 0.011 . 582 56 56 LEU HB2 H 2.099 0.005 . 583 56 56 LEU HB3 H 1.196 0.011 . 584 56 56 LEU HG H 1.710 0.004 . 585 56 56 LEU HD1 H 0.613 0.003 . 586 56 56 LEU HD2 H 0.747 0.007 . 587 56 56 LEU C C 180.810 0.000 . 588 56 56 LEU CA C 58.392 0.000 . 589 56 56 LEU CB C 40.151 0.000 . 590 56 56 LEU CG C 26.594 0.000 . 591 56 56 LEU CD1 C 22.896 0.000 . 592 56 56 LEU CD2 C 26.594 0.000 . 593 56 56 LEU N N 117.920 0.000 . 594 57 57 SER H H 8.470 0.000 . 595 57 57 SER HA H 4.243 0.004 . 596 57 57 SER HB2 H 3.839 0.003 . 597 57 57 SER HB3 H 3.744 0.004 . 598 57 57 SER C C 178.310 0.000 . 599 57 57 SER CA C 60.857 0.000 . 600 57 57 SER CB C 62.336 0.000 . 601 57 57 SER N N 113.330 0.000 . 602 58 58 ASP H H 7.930 0.000 . 603 58 58 ASP HA H 4.283 0.007 . 604 58 58 ASP HB2 H 3.004 0.009 . 605 58 58 ASP HB3 H 2.239 0.006 . 606 58 58 ASP C C 177.400 0.000 . 607 58 58 ASP CA C 57.160 0.000 . 608 58 58 ASP CB C 40.151 0.000 . 609 58 58 ASP N N 124.19 0.000 . 610 59 59 TYR H H 7.250 0.000 . 611 59 59 TYR HA H 4.631 0.003 . 612 59 59 TYR HB2 H 3.461 0.006 . 613 59 59 TYR HB3 H 2.529 0.011 . 614 59 59 TYR HD1 H 7.246 0.000 . 615 59 59 TYR HD2 H 7.246 0.000 . 616 59 59 TYR HE1 H 6.872 0.000 . 617 59 59 TYR HE2 H 6.872 0.000 . 618 59 59 TYR C C 174.70 0.000 . 619 59 59 TYR CA C 58.146 0.000 . 620 59 59 TYR CB C 39.905 0.000 . 621 59 59 TYR CD1 C 133.625 0.000 . 622 59 59 TYR CD2 C 133.625 0.000 . 623 59 59 TYR CE1 C 118.480 0.000 . 624 59 59 TYR CE2 C 118.480 0.000 . 625 59 59 TYR N N 115.510 0.000 . 626 60 60 ASN H H 8.150 0.000 . 627 60 60 ASN HA H 4.342 0.004 . 628 60 60 ASN HB2 H 3.318 0.005 . 629 60 60 ASN HB3 H 2.779 0.005 . 630 60 60 ASN HD21 H 7.530 0.000 . 631 60 60 ASN HD22 H 6.810 0.000 . 632 60 60 ASN C C 174.340 0.000 . 633 60 60 ASN CA C 53.955 0.000 . 634 60 60 ASN CB C 37.193 0.000 . 635 60 60 ASN N N 115.900 0.000 . 636 60 60 ASN ND2 N 111.150 0.000 . 637 61 61 ILE H H 7.250 0.000 . 638 61 61 ILE HA H 3.355 0.005 . 639 61 61 ILE HB H 1.382 0.007 . 640 61 61 ILE HG12 H -0.443 0.024 . 641 61 61 ILE HG13 H 1.101 0.005 . 642 61 61 ILE HG2 H 0.469 0.004 . 643 61 61 ILE HD1 H 0.421 0.005 . 644 61 61 ILE C C 174.61 0.000 . 645 61 61 ILE CA C 62.336 0.000 . 646 61 61 ILE CB C 36.700 0.000 . 647 61 61 ILE CG1 C 28.073 0.000 . 648 61 61 ILE CG2 C 17.226 0.000 . 649 61 61 ILE CD1 C 14.515 0.000 . 650 61 61 ILE N N 118.600 0.000 . 651 62 62 GLN H H 7.610 0.000 . 652 62 62 GLN HA H 4.480 0.003 . 653 62 62 GLN HB2 H 2.249 0.003 . 654 62 62 GLN HB3 H 1.891 0.002 . 655 62 62 GLN HG2 H 2.356 0.001 . 656 62 62 GLN HG3 H 2.289 0.003 . 657 62 62 GLN HE21 H 7.280 0.000 . 658 62 62 GLN HE22 H 6.810 0.000 . 659 62 62 GLN C C 175.97 0.000 . 660 62 62 GLN CA C 53.462 0.000 . 661 62 62 GLN CB C 31.277 0.000 . 662 62 62 GLN CG C 33.249 0.000 . 663 62 62 GLN N N 124.740 0.000 . 664 62 62 GLN NE2 N 112.150 0.000 . 665 63 63 LYS H H 8.490 0.000 . 666 63 63 LYS HA H 3.960 0.006 . 667 63 63 LYS HB2 H 2.047 0.003 . 668 63 63 LYS HB3 H 1.890 0.005 . 669 63 63 LYS HG2 H 1.484 0.004 . 670 63 63 LYS HG3 H 1.484 0.004 . 671 63 63 LYS HD2 H 1.730 0.005 . 672 63 63 LYS HD3 H 1.730 0.005 . 673 63 63 LYS HE2 H 3.020 0.002 . 674 63 63 LYS HE3 H 3.020 0.002 . 675 63 63 LYS C C 175.810 0.000 . 676 63 63 LYS CA C 57.653 0.000 . 677 63 63 LYS CB C 32.510 0.000 . 678 63 63 LYS CG C 23.882 0.000 . 679 63 63 LYS CD C 29.552 0.000 . 680 63 63 LYS CE C 41.630 0.000 . 681 63 63 LYS N N 120.300 0.000 . 682 64 64 GLU HA H 3.335 0.002 . 683 64 64 GLU HB2 H 2.544 0.005 . 684 64 64 GLU HB3 H 2.408 0.007 . 685 64 64 GLU HG2 H 2.236 0.005 . 686 64 64 GLU HG3 H 2.236 0.005 . 687 64 64 GLU C C 175.250 0.000 . 688 64 64 GLU CA C 58.146 0.000 . 689 64 64 GLU CB C 25.854 0.000 . 690 64 64 GLU CG C 37.193 0.000 . 691 65 65 SER H H 7.670 0.000 . 692 65 65 SER HA H 4.624 0.003 . 693 65 65 SER HB2 H 3.888 0.004 . 694 65 65 SER HB3 H 3.628 0.003 . 695 65 65 SER C C 172.160 0.000 . 696 65 65 SER CA C 60.611 0.000 . 697 65 65 SER CB C 64.801 0.000 . 698 65 65 SER N N 114.730 0.000 . 699 66 66 THR H H 8.730 0.000 . 700 66 66 THR HA H 5.271 0.007 . 701 66 66 THR HB H 4.025 0.006 . 702 66 66 THR HG2 H 0.878 0.007 . 703 66 66 THR C C 173.950 0.000 . 704 66 66 THR CA C 62.336 0.000 . 705 66 66 THR CB C 69.978 0.000 . 706 66 66 THR CG2 C 21.171 0.000 . 707 66 66 THR N N 117.110 0.000 . 708 67 67 LEU HA H 5.075 0.002 . 709 67 67 LEU HB2 H 1.608 0.003 . 710 67 67 LEU HB3 H 1.608 0.003 . 711 67 67 LEU HG H 1.748 0.004 . 712 67 67 LEU HD1 H 0.644 0.008 . 713 67 67 LEU HD2 H 0.682 0.004 . 714 67 67 LEU CA C 53.709 0.000 . 715 67 67 LEU CB C 44.342 0.000 . 716 67 67 LEU CG C 29.552 0.000 . 717 67 67 LEU CD1 C 25.361 0.000 . 718 67 67 LEU CD2 C 24.868 0.000 . 719 68 68 HIS HB2 H 2.624 0.002 . 720 68 68 HIS HB3 H 2.553 0.002 . 721 68 68 HIS CB C 33.249 0.000 . 722 69 69 LEU HA H 5.184 0.003 . 723 69 69 LEU HB2 H 1.594 0.007 . 724 69 69 LEU HB3 H 1.084 0.003 . 725 69 69 LEU HG H 1.308 0.002 . 726 69 69 LEU HD1 H 0.784 0.032 . 727 69 69 LEU HD2 H 0.710 0.002 . 728 69 69 LEU CA C 53.462 0.000 . 729 69 69 LEU CB C 44.342 0.000 . 730 69 69 LEU CG C 27.580 0.000 . 731 69 69 LEU CD1 C 24.129 0.000 . 732 69 69 LEU CD2 C 26.101 0.000 . 733 70 70 VAL HA H 4.358 0.007 . 734 70 70 VAL HB H 2.033 0.003 . 735 70 70 VAL HG1 H 0.849 0.002 . 736 70 70 VAL HG2 H 0.933 0.000 . 737 70 70 VAL CA C 60.365 0.000 . 738 70 70 VAL CB C 34.728 0.000 . 739 70 70 VAL CG1 C 20.679 0.000 . 740 70 70 VAL CG2 C 21.418 0.000 . 741 71 71 LEU HA H 5.072 0.007 . 742 71 71 LEU HB2 H 1.678 0.004 . 743 71 71 LEU HB3 H 1.516 0.004 . 744 71 71 LEU HG H 1.674 0.004 . 745 71 71 LEU HD1 H 0.961 0.003 . 746 71 71 LEU HD2 H 0.849 0.002 . 747 71 71 LEU CA C 53.709 0.000 . 748 71 71 LEU CB C 42.616 0.000 . 749 71 71 LEU CG C 27.580 0.000 . 750 71 71 LEU CD1 C 24.868 0.000 . 751 71 71 LEU CD2 C 23.882 0.000 . 752 72 72 ARG HA H 4.346 0.004 . 753 72 72 ARG HB2 H 1.785 0.003 . 754 72 72 ARG HB3 H 1.549 0.003 . 755 72 72 ARG HG2 H 1.581 0.083 . 756 72 72 ARG HG3 H 1.549 0.001 . 757 72 72 ARG HD2 H 3.155 0.007 . 758 72 72 ARG HD3 H 3.155 0.007 . 759 72 72 ARG CA C 55.434 0.000 . 760 72 72 ARG CB C 31.277 0.000 . 761 72 72 ARG CG C 27.333 0.000 . 762 72 72 ARG CD C 43.602 0.000 . 763 73 73 LEU HA H 4.365 0.003 . 764 73 73 LEU HB2 H 1.660 0.003 . 765 73 73 LEU HB3 H 1.602 0.005 . 766 73 73 LEU HG H 1.644 0.001 . 767 73 73 LEU HD1 H 0.850 0.001 . 768 73 73 LEU HD2 H 0.923 0.002 . 769 73 73 LEU CA C 55.188 0.000 . 770 73 73 LEU CB C 42.123 0.000 . 771 73 73 LEU CG C 27.333 0.000 . 772 73 73 LEU CD1 C 23.389 0.000 . 773 73 73 LEU CD2 C 24.868 0.000 . 774 74 74 ARG HA H 4.324 0.003 . 775 74 74 ARG HB2 H 1.872 0.001 . 776 74 74 ARG HB3 H 1.774 0.001 . 777 74 74 ARG HG2 H 1.636 0.006 . 778 74 74 ARG HG3 H 1.636 0.006 . 779 74 74 ARG HD2 H 3.191 0.002 . 780 74 74 ARG HD3 H 3.191 0.002 . 781 74 74 ARG CA C 55.927 0.000 . 782 74 74 ARG CB C 30.784 0.000 . 783 74 74 ARG CG C 26.840 0.000 . 784 74 74 ARG CD C 43.109 0.000 . 785 75 75 GLY HA2 H 3.982 0.009 . 786 75 75 GLY HA3 H 3.915 0.003 . 787 75 75 GLY CA C 45.088 0.004 . stop_ save_