data_15176 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Intrinsically unstructured proteins provide the specificity for protein phosphatase 1 regulation. ; _BMRB_accession_number 15176 _BMRB_flat_file_name bmr15176.str _Entry_type original _Submission_date 2007-03-15 _Accession_date 2007-03-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of backbone and sidechain atoms of Darpp-32 residues 1 - 118.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dancheck Barbara . . 2 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 601 "13C chemical shifts" 477 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-30 update author 'relationship loop update' 2008-07-15 update author 'chemical shift table update' 2007-10-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15865 'Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors' 5906 'dopamine and cAMP-regulated phosphoprotein, Mr. 32000' stop_ save_ ############################# # Citation for this entry # ############################# save_publication_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for spinophilin-neurabin receptor interaction' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17279777 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kelker Matthew S. . 2 Dancheck Barbara . . 3 Ju Tingting . . 4 Kessler Rene P. . 5 Hudak Jebecka . . 6 Nairn Angus C. . 7 Peti Wolfgang . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2333 _Page_last 2344 _Year 2007 _Details . loop_ _Keyword 'intrinsically unstructured' PP1 signaling stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Darpp-32 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Darpp-32 $Darpp-32 stop_ _System_molecular_weight 13535 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Darpp-32 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Darpp-32 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'protein phosphatase 1 inhibitor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GHMDPKGRKKIQFSVPAPPS QLDPRQVEMIRRRRPTPALL FRVSEHSSPEEESSPHQRTS GEGHHPKSKRPNPSAYTPPS LKAVQRIAESHLQTISNLSE NQASEEEDELGELRELGYPQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 ASP 5 PRO 6 LYS 7 GLY 8 ARG 9 LYS 10 LYS 11 ILE 12 GLN 13 PHE 14 SER 15 VAL 16 PRO 17 ALA 18 PRO 19 PRO 20 SER 21 GLN 22 LEU 23 ASP 24 PRO 25 ARG 26 GLN 27 VAL 28 GLU 29 MET 30 ILE 31 ARG 32 ARG 33 ARG 34 ARG 35 PRO 36 THR 37 PRO 38 ALA 39 LEU 40 LEU 41 PHE 42 ARG 43 VAL 44 SER 45 GLU 46 HIS 47 SER 48 SER 49 PRO 50 GLU 51 GLU 52 GLU 53 SER 54 SER 55 PRO 56 HIS 57 GLN 58 ARG 59 THR 60 SER 61 GLY 62 GLU 63 GLY 64 HIS 65 HIS 66 PRO 67 LYS 68 SER 69 LYS 70 ARG 71 PRO 72 ASN 73 PRO 74 SER 75 ALA 76 TYR 77 THR 78 PRO 79 PRO 80 SER 81 LEU 82 LYS 83 ALA 84 VAL 85 GLN 86 ARG 87 ILE 88 ALA 89 GLU 90 SER 91 HIS 92 LEU 93 GLN 94 THR 95 ILE 96 SER 97 ASN 98 LEU 99 SER 100 GLU 101 ASN 102 GLN 103 ALA 104 SER 105 GLU 106 GLU 107 GLU 108 ASP 109 GLU 110 LEU 111 GLY 112 GLU 113 LEU 114 ARG 115 GLU 116 LEU 117 GLY 118 TYR 119 PRO 120 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15865 DARPP-32 100.00 120 100.00 100.00 1.12e-78 GB AAH78954 "Protein phosphatase 1, regulatory (inhibitor) subunit 1B [Rattus norvegicus]" 98.33 205 98.31 98.31 2.05e-74 GB AAT11858 "dopamine- and cAMP-regulated phosphoprotein DARPP-32 [Rattus norvegicus]" 98.33 205 98.31 98.31 2.05e-74 GB EDM05918 "protein phosphatase 1, regulatory (inhibitor) subunit 1B, isoform CRA_a, partial [Rattus norvegicus]" 98.33 148 98.31 98.31 6.60e-76 GB EDM05919 "protein phosphatase 1, regulatory (inhibitor) subunit 1B, isoform CRA_a, partial [Rattus norvegicus]" 98.33 148 98.31 98.31 6.60e-76 REF NP_612530 "protein phosphatase 1 regulatory subunit 1B [Rattus norvegicus]" 98.33 205 98.31 98.31 2.05e-74 SP Q6J4I0 "RecName: Full=Protein phosphatase 1 regulatory subunit 1B; AltName: Full=DARPP-32; AltName: Full=Dopamine- and cAMP-regulated n" 98.33 205 98.31 98.31 2.05e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Darpp-32 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $Darpp-32 'recombinant technology' . Escherichia coli 'BL-21 DE3 RIL' RP1B 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 $Darpp-32 750 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' PMSF 250 uM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Darpp-32 750 uM '[U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' PMSF 250 uM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HCACO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Darpp-32 _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 2 2 HIS HA H 4.588 0.01 . 2 2 2 HIS HB2 H 3.095 0.01 . 3 2 2 HIS HB3 H 3.095 0.01 . 4 2 2 HIS C C 174.460 0.23 . 5 2 2 HIS CA C 55.101 0.23 . 6 2 2 HIS CB C 29.360 0.23 . 7 3 3 MET H H 8.517 0.01 . 8 3 3 MET HA H 4.374 0.01 . 9 3 3 MET HB2 H 1.905 0.01 . 10 3 3 MET HB3 H 1.837 0.01 . 11 3 3 MET HG2 H 2.369 0.01 . 12 3 3 MET HG3 H 2.369 0.01 . 13 3 3 MET C C 175.356 0.23 . 14 3 3 MET CA C 56.014 0.23 . 15 3 3 MET CB C 32.890 0.23 . 16 3 3 MET CG C 31.865 0.23 . 17 3 3 MET N N 122.397 0.02 . 18 4 4 ASP H H 8.381 0.01 . 19 4 4 ASP HA H 4.733 0.01 . 20 4 4 ASP HB2 H 2.617 0.01 . 21 4 4 ASP HB3 H 2.486 0.01 . 22 4 4 ASP C C 175.356 0.23 . 23 4 4 ASP CA C 52.431 0.23 . 24 4 4 ASP CB C 40.916 0.23 . 25 4 4 ASP N N 124.075 0.02 . 26 5 5 PRO HA H 4.296 0.01 . 27 5 5 PRO HB2 H 1.853 0.01 . 28 5 5 PRO HB3 H 2.208 0.01 . 29 5 5 PRO C C 177.369 0.23 . 30 5 5 PRO CA C 63.864 0.23 . 31 5 5 PRO CB C 32.418 0.23 . 32 5 5 PRO CD C 50.830 0.23 . 33 5 5 PRO CG C 27.246 0.23 . 34 6 6 LYS H H 8.363 0.01 . 35 6 6 LYS HA H 4.160 0.01 . 36 6 6 LYS HB2 H 1.738 0.01 . 37 6 6 LYS HB3 H 1.738 0.01 . 38 6 6 LYS HD2 H 1.611 0.01 . 39 6 6 LYS HD3 H 1.611 0.01 . 40 6 6 LYS HE2 H 2.878 0.01 . 41 6 6 LYS HE3 H 2.878 0.01 . 42 6 6 LYS HG2 H 1.324 0.01 . 43 6 6 LYS HG3 H 1.324 0.01 . 44 6 6 LYS C C 177.455 0.23 . 45 6 6 LYS CA C 56.805 0.23 . 46 6 6 LYS CB C 32.110 0.23 . 47 6 6 LYS CD C 29.031 0.23 . 48 6 6 LYS CE C 42.024 0.23 . 49 6 6 LYS CG C 25.029 0.23 . 50 6 6 LYS N N 120.215 0.02 . 51 7 7 GLY H H 8.177 0.01 . 52 7 7 GLY HA2 H 3.837 0.01 . 53 7 7 GLY HA3 H 3.837 0.01 . 54 7 7 GLY C C 174.174 0.23 . 55 7 7 GLY CA C 45.473 0.23 . 56 7 7 GLY N N 109.157 0.02 . 57 8 8 ARG H H 8.049 0.01 . 58 8 8 ARG HA H 4.207 0.01 . 59 8 8 ARG HB2 H 1.733 0.01 . 60 8 8 ARG HB3 H 1.649 0.01 . 61 8 8 ARG HD2 H 3.022 0.01 . 62 8 8 ARG HD3 H 3.022 0.01 . 63 8 8 ARG HG2 H 1.520 0.01 . 64 8 8 ARG HG3 H 1.520 0.01 . 65 8 8 ARG C C 176.408 0.23 . 66 8 8 ARG CA C 56.125 0.23 . 67 8 8 ARG CB C 30.817 0.23 . 68 8 8 ARG CD C 43.440 0.23 . 69 8 8 ARG CG C 27.061 0.23 . 70 8 8 ARG N N 120.675 0.02 . 71 9 9 LYS H H 8.300 0.01 . 72 9 9 LYS HA H 4.181 0.01 . 73 9 9 LYS HB2 H 1.665 0.01 . 74 9 9 LYS HB3 H 1.665 0.01 . 75 9 9 LYS HD2 H 1.559 0.01 . 76 9 9 LYS HD3 H 1.559 0.01 . 77 9 9 LYS HG2 H 1.311 0.01 . 78 9 9 LYS HG3 H 1.311 0.01 . 79 9 9 LYS C C 176.446 0.23 . 80 9 9 LYS CA C 56.372 0.23 . 81 9 9 LYS CB C 33.072 0.23 . 82 9 9 LYS CD C 29.093 0.23 . 83 9 9 LYS CE C 42.271 0.23 . 84 9 9 LYS CG C 24.967 0.23 . 85 9 9 LYS N N 122.977 0.02 . 86 10 10 LYS H H 8.306 0.01 . 87 10 10 LYS HA H 4.181 0.01 . 88 10 10 LYS HB2 H 1.639 0.01 . 89 10 10 LYS HB3 H 1.639 0.01 . 90 10 10 LYS HD2 H 1.533 0.01 . 91 10 10 LYS HD3 H 1.533 0.01 . 92 10 10 LYS HG2 H 1.272 0.01 . 93 10 10 LYS HG3 H 1.272 0.01 . 94 10 10 LYS C C 176.403 0.23 . 95 10 10 LYS CA C 56.102 0.23 . 96 10 10 LYS CB C 32.972 0.23 . 97 10 10 LYS CD C 29.031 0.23 . 98 10 10 LYS CE C 42.086 0.23 . 99 10 10 LYS CG C 24.967 0.23 . 100 10 10 LYS N N 123.559 0.02 . 101 11 11 ILE H H 8.130 0.01 . 102 11 11 ILE HA H 3.983 0.01 . 103 11 11 ILE HB H 1.670 0.01 . 104 11 11 ILE HD1 H 0.671 0.01 . 105 11 11 ILE HG12 H 1.050 0.01 . 106 11 11 ILE HG13 H 1.050 0.01 . 107 11 11 ILE HG2 H 0.788 0.01 . 108 11 11 ILE C C 175.804 0.23 . 109 11 11 ILE CA C 61.421 0.23 . 110 11 11 ILE CB C 38.576 0.23 . 111 11 11 ILE CD1 C 12.713 0.23 . 112 11 11 ILE CG1 C 27.246 0.23 . 113 11 11 ILE CG2 C 17.516 0.23 . 114 11 11 ILE N N 123.056 0.02 . 115 12 12 GLN H H 8.318 0.01 . 116 12 12 GLN HA H 4.212 0.01 . 117 12 12 GLN HB2 H 1.858 0.01 . 118 12 12 GLN HB3 H 1.790 0.01 . 119 12 12 GLN HG2 H 2.095 0.01 . 120 12 12 GLN HG3 H 2.095 0.01 . 121 12 12 GLN C C 175.183 0.23 . 122 12 12 GLN CA C 55.448 0.23 . 123 12 12 GLN CB C 29.647 0.23 . 124 12 12 GLN CG C 33.526 0.23 . 125 12 12 GLN N N 124.925 0.02 . 126 13 13 PHE H H 8.237 0.01 . 127 13 13 PHE HA H 4.562 0.01 . 128 13 13 PHE HB2 H 3.038 0.01 . 129 13 13 PHE HB3 H 2.897 0.01 . 130 13 13 PHE C C 175.394 0.23 . 131 13 13 PHE CA C 57.480 0.23 . 132 13 13 PHE CB C 39.869 0.23 . 133 13 13 PHE N N 122.251 0.02 . 134 14 14 SER H H 8.170 0.01 . 135 14 14 SER HA H 4.353 0.01 . 136 14 14 SER HB2 H 3.675 0.01 . 137 14 14 SER HB3 H 3.675 0.01 . 138 14 14 SER C C 173.569 0.23 . 139 14 14 SER CA C 57.738 0.23 . 140 14 14 SER CB C 63.884 0.23 . 141 14 14 SER N N 118.024 0.02 . 142 15 15 VAL H H 8.130 0.01 . 143 15 15 VAL HA H 4.002 0.01 . 144 15 15 VAL HB H 1.951 0.01 . 145 15 15 VAL HG1 H 0.828 0.01 . 146 15 15 VAL HG2 H 0.684 0.01 . 147 15 15 VAL C C 175.798 0.23 . 148 15 15 VAL CA C 61.298 0.23 . 149 15 15 VAL CB C 32.726 0.23 . 150 15 15 VAL N N 123.225 0.02 . 151 16 16 PRO HA H 4.270 0.01 . 152 16 16 PRO HB2 H 2.161 0.01 . 153 16 16 PRO HB3 H 1.769 0.01 . 154 16 16 PRO C C 176.122 0.23 . 155 16 16 PRO CA C 63.022 0.23 . 156 16 16 PRO CB C 32.049 0.23 . 157 16 16 PRO CD C 50.953 0.23 . 158 16 16 PRO CG C 27.492 0.23 . 159 17 17 ALA H H 8.282 0.01 . 160 17 17 ALA HA H 4.433 0.01 . 161 17 17 ALA HB H 1.219 0.01 . 162 17 17 ALA C C 175.070 0.23 . 163 17 17 ALA CA C 50.337 0.23 . 164 17 17 ALA CB C 17.824 0.23 . 165 17 17 ALA N N 125.837 0.02 . 166 19 18 PRO HA H 4.327 0.01 . 167 19 18 PRO HB2 H 2.218 0.01 . 168 19 18 PRO HB3 H 1.827 0.01 . 169 19 18 PRO C C 177.061 0.23 . 170 19 18 PRO CA C 63.012 0.23 . 171 19 18 PRO CB C 31.916 0.23 . 172 19 18 PRO CD C 50.337 0.23 . 173 19 18 PRO CG C 27.492 0.23 . 174 20 20 SER H H 8.305 0.01 . 175 20 20 SER HA H 4.280 0.01 . 176 20 20 SER HB2 H 3.774 0.01 . 177 20 20 SER HB3 H 3.774 0.01 . 178 20 20 SER C C 174.632 0.23 . 179 20 20 SER CA C 58.448 0.23 . 180 20 20 SER CB C 63.742 0.23 . 181 20 20 SER N N 115.852 0.02 . 182 21 21 GLN H H 8.342 0.01 . 183 21 21 GLN HA H 4.238 0.01 . 184 21 21 GLN HB2 H 2.020 0.01 . 185 21 21 GLN HB3 H 2.020 0.01 . 186 21 21 GLN HG2 H 2.199 0.01 . 187 21 21 GLN HG3 H 2.199 0.01 . 188 21 21 GLN C C 175.555 0.23 . 189 21 21 GLN CA C 55.588 0.23 . 190 21 21 GLN CB C 29.543 0.23 . 191 21 21 GLN CG C 33.711 0.23 . 192 21 21 GLN N N 122.169 0.02 . 193 22 22 LEU H H 8.095 0.01 . 194 22 22 LEU HA H 4.233 0.01 . 195 22 22 LEU HB2 H 1.467 0.01 . 196 22 22 LEU HB3 H 1.388 0.01 . 197 22 22 LEU HD1 H 0.684 0.01 . 198 22 22 LEU HD2 H 0.684 0.01 . 199 22 22 LEU HG H 1.324 0.01 . 200 22 22 LEU C C 176.613 0.23 . 201 22 22 LEU CA C 54.771 0.23 . 202 22 22 LEU CB C 42.455 0.23 . 203 22 22 LEU CD1 C 24.967 0.23 . 204 22 22 LEU CD2 C 23.551 0.23 . 205 22 22 LEU CG C 26.999 0.23 . 206 22 22 LEU N N 123.031 0.02 . 207 23 23 ASP H H 8.328 0.01 . 208 23 23 ASP HA H 4.485 0.01 . 209 23 23 ASP HB2 H 2.630 0.01 . 210 23 23 ASP HB3 H 2.630 0.01 . 211 23 23 ASP C C 175.145 0.23 . 212 23 23 ASP CA C 51.753 0.23 . 213 23 23 ASP CB C 41.408 0.23 . 214 23 23 ASP N N 123.600 0.02 . 215 24 24 PRO HA H 4.233 0.01 . 216 24 24 PRO HB2 H 2.250 0.01 . 217 24 24 PRO HB3 H 1.879 0.01 . 218 24 24 PRO C C 178.157 0.23 . 219 24 24 PRO CA C 64.229 0.23 . 220 24 24 PRO CB C 32.099 0.23 . 221 24 24 PRO CD C 51.024 0.23 . 222 24 24 PRO CG C 27.413 0.23 . 223 25 25 ARG H H 8.353 0.01 . 224 25 25 ARG HA H 4.082 0.01 . 225 25 25 ARG HB2 H 1.769 0.01 . 226 25 25 ARG HB3 H 1.769 0.01 . 227 25 25 ARG HD2 H 3.100 0.01 . 228 25 25 ARG HD3 H 3.100 0.01 . 229 25 25 ARG HG2 H 1.559 0.01 . 230 25 25 ARG HG3 H 1.559 0.01 . 231 25 25 ARG C C 177.947 0.23 . 232 25 25 ARG CA C 57.535 0.23 . 233 25 25 ARG CB C 30.030 0.23 . 234 25 25 ARG CD C 43.256 0.23 . 235 25 25 ARG CG C 27.246 0.23 . 236 25 25 ARG N N 118.584 0.02 . 237 26 26 GLN H H 7.948 0.01 . 238 26 26 GLN HA H 4.145 0.01 . 239 26 26 GLN HB2 H 2.051 0.01 . 240 26 26 GLN HB3 H 2.051 0.01 . 241 26 26 GLN HG2 H 2.473 0.01 . 242 26 26 GLN HG3 H 2.473 0.01 . 243 26 26 GLN C C 177.094 0.23 . 244 26 26 GLN CA C 57.292 0.23 . 245 26 26 GLN CB C 28.995 0.23 . 246 26 26 GLN CG C 33.896 0.23 . 247 26 26 GLN N N 119.765 0.02 . 248 27 27 VAL H H 7.848 0.01 . 249 27 27 VAL HA H 3.737 0.01 . 250 27 27 VAL HB H 1.989 0.01 . 251 27 27 VAL HG1 H 0.828 0.01 . 252 27 27 VAL HG2 H 0.828 0.01 . 253 27 27 VAL C C 177.137 0.23 . 254 27 27 VAL CA C 64.229 0.23 . 255 27 27 VAL CB C 32.342 0.23 . 256 27 27 VAL CG1 C 21.496 0.23 . 257 27 27 VAL CG2 C 21.668 0.23 . 258 27 27 VAL N N 120.116 0.02 . 259 28 28 GLU H H 8.071 0.01 . 260 28 28 GLU HA H 4.082 0.01 . 261 28 28 GLU HB2 H 1.929 0.01 . 262 28 28 GLU HB3 H 1.922 0.01 . 263 28 28 GLU HG2 H 2.186 0.01 . 264 28 28 GLU HG3 H 2.186 0.01 . 265 28 28 GLU C C 177.261 0.23 . 266 28 28 GLU CA C 57.535 0.23 . 267 28 28 GLU CB C 29.604 0.23 . 268 28 28 GLU CG C 35.990 0.23 . 269 28 28 GLU N N 121.732 0.02 . 270 29 29 MET H H 7.961 0.01 . 271 29 29 MET HA H 4.197 0.01 . 272 29 29 MET HB2 H 2.004 0.01 . 273 29 29 MET HB3 H 2.004 0.01 . 274 29 29 MET HG2 H 2.291 0.01 . 275 29 29 MET HG3 H 2.291 0.01 . 276 29 29 MET C C 177.385 0.23 . 277 29 29 MET CA C 57.145 0.23 . 278 29 29 MET CB C 33.157 0.23 . 279 29 29 MET CG C 31.987 0.23 . 280 29 29 MET N N 119.889 0.02 . 281 30 30 ILE H H 7.913 0.01 . 282 30 30 ILE HA H 4.244 0.01 . 283 30 30 ILE HB H 1.837 0.01 . 284 30 30 ILE HD1 H 0.723 0.01 . 285 30 30 ILE HG12 H 1.063 0.01 . 286 30 30 ILE HG13 H 1.063 0.01 . 287 30 30 ILE HG2 H 0.775 0.01 . 288 30 30 ILE C C 177.137 0.23 . 289 30 30 ILE CA C 62.530 0.23 . 290 30 30 ILE CB C 38.206 0.23 . 291 30 30 ILE CD1 C 12.960 0.23 . 292 30 30 ILE CG1 C 28.108 0.23 . 293 30 30 ILE CG2 C 17.393 0.23 . 294 30 30 ILE N N 120.780 0.02 . 295 31 31 ARG H H 8.089 0.01 . 296 31 31 ARG HA H 4.176 0.01 . 297 31 31 ARG HB2 H 1.759 0.01 . 298 31 31 ARG HB3 H 1.717 0.01 . 299 31 31 ARG HD2 H 3.048 0.01 . 300 31 31 ARG HD3 H 3.048 0.01 . 301 31 31 ARG HG2 H 1.441 0.01 . 302 31 31 ARG HG3 H 1.441 0.01 . 303 31 31 ARG C C 176.819 0.23 . 304 31 31 ARG CA C 57.336 0.23 . 305 31 31 ARG CB C 30.882 0.23 . 306 31 31 ARG CD C 43.194 0.23 . 307 31 31 ARG CG C 27.246 0.23 . 308 31 31 ARG N N 122.955 0.02 . 309 32 32 ARG H H 8.001 0.01 . 310 32 32 ARG HA H 4.171 0.01 . 311 32 32 ARG HB2 H 1.780 0.01 . 312 32 32 ARG HB3 H 1.696 0.01 . 313 32 32 ARG HD2 H 2.917 0.01 . 314 32 32 ARG HD3 H 2.917 0.01 . 315 32 32 ARG HG2 H 1.546 0.01 . 316 32 32 ARG HG3 H 1.546 0.01 . 317 32 32 ARG C C 176.327 0.23 . 318 32 32 ARG CA C 56.562 0.23 . 319 32 32 ARG CB C 30.694 0.23 . 320 32 32 ARG CD C 43.440 0.23 . 321 32 32 ARG CG C 27.492 0.23 . 322 32 32 ARG N N 120.304 0.02 . 323 33 33 ARG H H 8.049 0.01 . 324 33 33 ARG HA H 4.254 0.01 . 325 33 33 ARG HB2 H 1.775 0.01 . 326 33 33 ARG HB3 H 1.696 0.01 . 327 33 33 ARG HG2 H 1.507 0.01 . 328 33 33 ARG HG3 H 1.507 0.01 . 329 33 33 ARG C C 176.047 0.23 . 330 33 33 ARG CA C 56.318 0.23 . 331 33 33 ARG CB C 30.760 0.23 . 332 33 33 ARG CD C 43.440 0.23 . 333 33 33 ARG CG C 27.246 0.23 . 334 33 33 ARG N N 121.525 0.02 . 335 34 34 ARG H H 8.257 0.01 . 336 34 34 ARG HA H 4.485 0.01 . 337 34 34 ARG HB2 H 1.654 0.01 . 338 34 34 ARG HB3 H 1.654 0.01 . 339 34 34 ARG HD2 H 3.113 0.01 . 340 34 34 ARG HD3 H 3.113 0.01 . 341 34 34 ARG HG2 H 1.637 0.01 . 342 34 34 ARG HG3 H 1.637 0.01 . 343 34 34 ARG C C 174.152 0.23 . 344 34 34 ARG CA C 54.032 0.23 . 345 34 34 ARG CB C 30.448 0.23 . 346 34 34 ARG N N 123.746 0.02 . 347 35 35 PRO HA H 4.379 0.01 . 348 35 35 PRO HB2 H 2.182 0.01 . 349 35 35 PRO HB3 H 1.780 0.01 . 350 35 35 PRO C C 176.689 0.23 . 351 35 35 PRO CA C 63.073 0.23 . 352 35 35 PRO CB C 31.977 0.23 . 353 35 35 PRO CD C 50.584 0.23 . 354 35 35 PRO CG C 27.492 0.23 . 355 36 36 THR H H 8.222 0.01 . 356 36 36 THR HA H 4.446 0.01 . 357 36 36 THR HB H 4.054 0.01 . 358 36 36 THR HG2 H 1.154 0.01 . 359 36 36 THR C C 178.157 0.23 . 360 36 36 THR CA C 59.820 0.23 . 361 36 36 THR CB C 69.584 0.23 . 362 36 36 THR N N 117.402 0.02 . 363 37 37 PRO HA H 4.259 0.01 . 364 37 37 PRO HB2 H 2.203 0.01 . 365 37 37 PRO HB3 H 1.796 0.01 . 366 37 37 PRO C C 176.613 0.23 . 367 37 37 PRO CA C 63.515 0.23 . 368 37 37 PRO CB C 32.049 0.23 . 369 37 37 PRO CD C 51.015 0.23 . 370 37 37 PRO CG C 27.430 0.23 . 371 38 38 ALA H H 8.259 0.01 . 372 38 38 ALA HA H 4.134 0.01 . 373 38 38 ALA HB H 1.263 0.01 . 374 38 38 ALA C C 177.752 0.23 . 375 38 38 ALA CA C 52.862 0.23 . 376 38 38 ALA CB C 19.056 0.23 . 377 38 38 ALA N N 123.950 0.02 . 378 39 39 LEU H H 8.042 0.01 . 379 39 39 LEU HA H 4.176 0.01 . 380 39 39 LEU HB2 H 1.493 0.01 . 381 39 39 LEU HB3 H 1.399 0.01 . 382 39 39 LEU HD1 H 0.775 0.01 . 383 39 39 LEU HD2 H 0.775 0.01 . 384 39 39 LEU HG H 1.337 0.01 . 385 39 39 LEU C C 177.018 0.23 . 386 39 39 LEU CA C 55.202 0.23 . 387 39 39 LEU CB C 42.139 0.23 . 388 39 39 LEU CD1 C 24.906 0.23 . 389 39 39 LEU CD2 C 23.551 0.23 . 390 39 39 LEU CG C 26.999 0.23 . 391 39 39 LEU N N 121.040 0.02 . 392 40 40 LEU H H 7.984 0.01 . 393 40 40 LEU HA H 4.176 0.01 . 394 40 40 LEU HB2 H 1.425 0.01 . 395 40 40 LEU HB3 H 1.331 0.01 . 396 40 40 LEU HD1 H 0.723 0.01 . 397 40 40 LEU HD2 H 0.723 0.01 . 398 40 40 LEU HG H 1.259 0.01 . 399 40 40 LEU C C 176.732 0.23 . 400 40 40 LEU CA C 54.919 0.23 . 401 40 40 LEU CB C 42.209 0.23 . 402 40 40 LEU CD1 C 24.721 0.23 . 403 40 40 LEU CD2 C 23.551 0.23 . 404 40 40 LEU CG C 26.814 0.23 . 405 40 40 LEU N N 122.356 0.02 . 406 41 41 PHE H H 8.022 0.01 . 407 41 41 PHE HA H 4.494 0.01 . 408 41 41 PHE HB2 H 2.996 0.01 . 409 41 41 PHE HB3 H 2.897 0.01 . 410 41 41 PHE C C 175.232 0.23 . 411 41 41 PHE CA C 57.542 0.23 . 412 41 41 PHE CB C 39.746 0.23 . 413 41 41 PHE N N 120.676 0.02 . 414 42 42 ARG H H 8.101 0.01 . 415 42 42 ARG HA H 4.228 0.01 . 416 42 42 ARG HB2 H 1.670 0.01 . 417 42 42 ARG HB3 H 1.582 0.01 . 418 42 42 ARG HD2 H 3.061 0.01 . 419 42 42 ARG HD3 H 3.061 0.01 . 420 42 42 ARG HG2 H 1.441 0.01 . 421 42 42 ARG HG3 H 1.441 0.01 . 422 42 42 ARG C C 175.912 0.23 . 423 42 42 ARG CA C 55.633 0.23 . 424 42 42 ARG CB C 30.821 0.23 . 425 42 42 ARG CD C 43.379 0.23 . 426 42 42 ARG CG C 26.999 0.23 . 427 42 42 ARG N N 123.102 0.02 . 428 43 43 VAL H H 8.162 0.01 . 429 43 43 VAL HA H 3.972 0.01 . 430 43 43 VAL HB H 1.973 0.01 . 431 43 43 VAL HG1 H 0.841 0.01 . 432 43 43 VAL HG2 H 0.841 0.01 . 433 43 43 VAL C C 176.209 0.23 . 434 43 43 VAL CA C 62.343 0.23 . 435 43 43 VAL CB C 32.646 0.23 . 436 43 43 VAL CG1 C 21.029 0.23 . 437 43 43 VAL CG2 C 20.838 0.23 . 438 43 43 VAL N N 121.858 0.02 . 439 44 44 SER H H 8.315 0.01 . 440 44 44 SER HA H 4.328 0.01 . 441 44 44 SER HB2 H 3.742 0.01 . 442 44 44 SER HB3 H 3.732 0.01 . 443 44 44 SER C C 174.465 0.23 . 444 44 44 SER CA C 58.144 0.23 . 445 44 44 SER CB C 63.742 0.23 . 446 44 44 SER N N 119.100 0.02 . 447 45 45 GLU H H 8.382 0.01 . 448 45 45 GLU HA H 4.134 0.01 . 449 45 45 GLU HB2 H 1.858 0.01 . 450 45 45 GLU HB3 H 1.769 0.01 . 451 45 45 GLU HG2 H 2.055 0.01 . 452 45 45 GLU HG3 H 2.055 0.01 . 453 45 45 GLU C C 176.144 0.23 . 454 45 45 GLU CA C 56.866 0.23 . 455 45 45 GLU CB C 30.151 0.23 . 456 45 45 GLU CG C 36.065 0.23 . 457 45 45 GLU N N 122.997 0.02 . 458 46 46 HIS H H 8.404 0.01 . 459 46 46 HIS HA H 4.661 0.01 . 460 46 46 HIS HB2 H 3.194 0.01 . 461 46 46 HIS HB3 H 3.048 0.01 . 462 46 46 HIS C C 174.303 0.23 . 463 46 46 HIS CA C 55.202 0.23 . 464 46 46 HIS CB C 29.178 0.23 . 465 46 46 HIS N N 118.810 0.02 . 466 47 47 SER H H 8.302 0.01 . 467 47 47 SER HA H 4.390 0.01 . 468 47 47 SER HB2 H 3.748 0.01 . 469 47 47 SER HB3 H 3.748 0.01 . 470 47 47 SER C C 174.093 0.23 . 471 47 47 SER CA C 58.205 0.23 . 472 47 47 SER CB C 63.742 0.23 . 473 47 47 SER N N 117.483 0.02 . 474 48 48 SER H H 8.394 0.01 . 475 48 48 SER HA H 4.661 0.01 . 476 48 48 SER HB2 H 3.806 0.01 . 477 48 48 SER HB3 H 3.806 0.01 . 478 48 48 SER C C 178.109 0.23 . 479 48 48 SER CA C 56.501 0.23 . 480 48 48 SER CB C 63.316 0.23 . 481 48 48 SER N N 119.060 0.02 . 482 49 49 PRO HA H 4.317 0.01 . 483 49 49 PRO HB2 H 2.208 0.01 . 484 49 49 PRO HB3 H 1.832 0.01 . 485 49 49 PRO C C 177.342 0.23 . 486 49 49 PRO CA C 63.925 0.23 . 487 49 49 PRO CB C 31.916 0.23 . 488 49 49 PRO CD C 50.584 0.23 . 489 49 49 PRO CG C 27.369 0.23 . 490 50 50 GLU H H 8.470 0.01 . 491 50 50 GLU HA H 4.129 0.01 . 492 50 50 GLU HB2 H 1.937 0.01 . 493 50 50 GLU HB3 H 1.837 0.01 . 494 50 50 GLU HG2 H 2.144 0.01 . 495 50 50 GLU HG3 H 2.144 0.01 . 496 50 50 GLU C C 176.813 0.23 . 497 50 50 GLU CA C 57.231 0.23 . 498 50 50 GLU CB C 29.786 0.23 . 499 50 50 GLU CG C 36.051 0.23 . 500 50 50 GLU N N 120.344 0.02 . 501 51 51 GLU H H 8.213 0.01 . 502 51 51 GLU HA H 4.165 0.01 . 503 51 51 GLU HB2 H 1.973 0.01 . 504 51 51 GLU HB3 H 1.874 0.01 . 505 51 51 GLU HG2 H 2.144 0.01 . 506 51 51 GLU HG3 H 2.144 0.01 . 507 51 51 GLU C C 176.732 0.23 . 508 51 51 GLU CA C 57.059 0.23 . 509 51 51 GLU CB C 30.090 0.23 . 510 51 51 GLU CG C 36.051 0.23 . 511 51 51 GLU N N 121.401 0.02 . 512 52 52 GLU H H 8.290 0.01 . 513 52 52 GLU HA H 4.165 0.01 . 514 52 52 GLU HB2 H 1.976 0.01 . 515 52 52 GLU HB3 H 1.871 0.01 . 516 52 52 GLU HG2 H 2.186 0.01 . 517 52 52 GLU HG3 H 2.186 0.01 . 518 52 52 GLU C C 176.565 0.23 . 519 52 52 GLU CA C 55.756 0.23 . 520 52 52 GLU CB C 29.969 0.23 . 521 52 52 GLU CG C 36.051 0.23 . 522 52 52 GLU N N 121.774 0.02 . 523 53 53 SER H H 8.221 0.01 . 524 53 53 SER HA H 4.353 0.01 . 525 53 53 SER HB2 H 3.774 0.01 . 526 53 53 SER HB3 H 3.774 0.01 . 527 53 53 SER C C 174.336 0.23 . 528 53 53 SER CA C 58.442 0.23 . 529 53 53 SER CB C 63.681 0.23 . 530 53 53 SER N N 116.390 0.02 . 531 54 54 SER H H 8.135 0.01 . 532 54 54 SER HA H 4.629 0.01 . 533 54 54 SER HB2 H 3.714 0.01 . 534 54 54 SER HB3 H 3.714 0.01 . 535 54 54 SER C C 177.952 0.23 . 536 54 54 SER CA C 56.562 0.23 . 537 54 54 SER CB C 63.499 0.23 . 538 54 54 SER N N 118.584 0.02 . 539 55 55 PRO HA H 4.291 0.01 . 540 55 55 PRO HB2 H 2.145 0.01 . 541 55 55 PRO HB3 H 1.702 0.01 . 542 55 55 PRO C C 177.018 0.23 . 543 55 55 PRO CA C 63.742 0.23 . 544 55 55 PRO CB C 31.916 0.23 . 545 55 55 PRO CD C 50.584 0.23 . 546 55 55 PRO CG C 27.307 0.23 . 547 56 56 HIS H H 8.440 0.01 . 548 56 56 HIS HA H 4.552 0.01 . 549 56 56 HIS HB2 H 3.137 0.01 . 550 56 56 HIS HB3 H 3.069 0.01 . 551 56 56 HIS C C 174.546 0.23 . 552 56 56 HIS CA C 55.405 0.23 . 553 56 56 HIS CB C 28.908 0.23 . 554 56 56 HIS N N 118.357 0.02 . 555 57 57 GLN H H 8.300 0.01 . 556 57 57 GLN HA H 4.223 0.01 . 557 57 57 GLN HB2 H 1.983 0.01 . 558 57 57 GLN HB3 H 1.884 0.01 . 559 57 57 GLN HG2 H 2.186 0.01 . 560 57 57 GLN HG3 H 2.186 0.01 . 561 57 57 GLN C C 175.923 0.23 . 562 57 57 GLN CA C 56.866 0.23 . 563 57 57 GLN CB C 29.585 0.23 . 564 57 57 GLN CG C 33.711 0.23 . 565 57 57 GLN N N 121.568 0.02 . 566 58 58 ARG H H 8.482 0.01 . 567 58 58 ARG HA H 4.301 0.01 . 568 58 58 ARG HB2 H 1.785 0.01 . 569 58 58 ARG HB3 H 1.696 0.01 . 570 58 58 ARG HD2 H 3.074 0.01 . 571 58 58 ARG HD3 H 3.074 0.01 . 572 58 58 ARG HG2 H 1.559 0.01 . 573 58 58 ARG HG3 H 1.559 0.01 . 574 58 58 ARG C C 176.651 0.23 . 575 58 58 ARG CA C 56.372 0.23 . 576 58 58 ARG CB C 30.817 0.23 . 577 58 58 ARG CD C 43.440 0.23 . 578 58 58 ARG CG C 27.246 0.23 . 579 58 58 ARG N N 123.039 0.02 . 580 59 59 THR H H 8.227 0.01 . 581 59 59 THR HA H 4.312 0.01 . 582 59 59 THR HB H 4.165 0.01 . 583 59 59 THR HG2 H 1.115 0.01 . 584 59 59 THR C C 174.697 0.23 . 585 59 59 THR CA C 61.667 0.23 . 586 59 59 THR CB C 69.980 0.23 . 587 59 59 THR CG2 C 21.519 0.23 . 588 59 59 THR N N 115.359 0.02 . 589 60 60 SER H H 8.341 0.01 . 590 60 60 SER HA H 4.359 0.01 . 591 60 60 SER HB2 H 3.800 0.01 . 592 60 60 SER HB3 H 3.769 0.01 . 593 60 60 SER C C 175.102 0.23 . 594 60 60 SER CA C 58.465 0.23 . 595 60 60 SER CB C 63.761 0.23 . 596 60 60 SER N N 117.982 0.02 . 597 61 61 GLY H H 8.423 0.01 . 598 61 61 GLY HA2 H 3.889 0.01 . 599 61 61 GLY HA3 H 3.889 0.01 . 600 61 61 GLY C C 174.292 0.23 . 601 61 61 GLY CA C 45.288 0.23 . 602 61 61 GLY N N 111.019 0.02 . 603 62 62 GLU H H 8.228 0.01 . 604 62 62 GLU HA H 4.155 0.01 . 605 62 62 GLU HB2 H 1.952 0.01 . 606 62 62 GLU HB3 H 1.848 0.01 . 607 62 62 GLU HG2 H 2.186 0.01 . 608 62 62 GLU HG3 H 2.186 0.01 . 609 62 62 GLU C C 177.056 0.23 . 610 62 62 GLU CA C 56.866 0.23 . 611 62 62 GLU CB C 30.212 0.23 . 612 62 62 GLU CG C 36.051 0.23 . 613 62 62 GLU N N 120.676 0.02 . 614 63 63 GLY H H 8.403 0.01 . 615 63 63 GLY HA2 H 3.763 0.01 . 616 63 63 GLY HA3 H 3.763 0.01 . 617 63 63 GLY C C 173.774 0.23 . 618 63 63 GLY CA C 45.042 0.23 . 619 63 63 GLY N N 109.634 0.02 . 620 64 64 HIS H H 8.256 0.01 . 621 64 64 HIS HA H 4.541 0.01 . 622 64 64 HIS HB2 H 3.064 0.01 . 623 64 64 HIS HB3 H 2.949 0.01 . 624 64 64 HIS C C 174.174 0.23 . 625 64 64 HIS CA C 55.202 0.23 . 626 64 64 HIS CB C 29.154 0.23 . 627 64 64 HIS N N 118.065 0.02 . 628 65 65 HIS H H 8.522 0.01 . 629 65 65 HIS HA H 4.631 0.01 . 630 65 65 HIS HB2 H 3.023 0.01 . 631 65 65 HIS HB3 H 3.023 0.01 . 632 65 65 HIS C C 177.547 0.23 . 633 65 65 HIS CA C 53.355 0.23 . 634 65 65 HIS CB C 28.847 0.23 . 635 65 65 HIS N N 120.992 0.02 . 636 66 66 PRO HA H 4.348 0.01 . 637 66 66 PRO HB2 H 2.208 0.01 . 638 66 66 PRO HB3 H 1.816 0.01 . 639 66 66 PRO C C 176.980 0.23 . 640 66 66 PRO CA C 63.255 0.23 . 641 66 66 PRO CB C 32.220 0.23 . 642 66 66 PRO CD C 50.584 0.23 . 643 66 66 PRO CG C 27.492 0.23 . 644 67 67 LYS H H 8.582 0.01 . 645 67 67 LYS HA H 4.218 0.01 . 646 67 67 LYS HB2 H 1.754 0.01 . 647 67 67 LYS HB3 H 1.676 0.01 . 648 67 67 LYS HD2 H 1.611 0.01 . 649 67 67 LYS HD3 H 1.611 0.01 . 650 67 67 LYS HE2 H 2.906 0.01 . 651 67 67 LYS HE3 H 2.906 0.01 . 652 67 67 LYS HG2 H 1.379 0.01 . 653 67 67 LYS HG3 H 1.379 0.01 . 654 67 67 LYS C C 176.775 0.23 . 655 67 67 LYS CA C 56.421 0.23 . 656 67 67 LYS CB C 33.072 0.23 . 657 67 67 LYS CD C 29.154 0.23 . 658 67 67 LYS CE C 42.086 0.23 . 659 67 67 LYS CG C 24.967 0.23 . 660 67 67 LYS N N 122.335 0.02 . 661 68 68 SER H H 8.295 0.01 . 662 68 68 SER HA H 4.322 0.01 . 663 68 68 SER HB2 H 3.753 0.01 . 664 68 68 SER HB3 H 3.753 0.01 . 665 68 68 SER C C 174.379 0.23 . 666 68 68 SER CA C 58.096 0.23 . 667 68 68 SER CB C 63.803 0.23 . 668 68 68 SER N N 117.255 0.02 . 669 69 69 LYS H H 8.394 0.01 . 670 69 69 LYS HA H 4.238 0.01 . 671 69 69 LYS HB2 H 1.728 0.01 . 672 69 69 LYS HB3 H 1.613 0.01 . 673 69 69 LYS HD2 H 1.537 0.01 . 674 69 69 LYS HD3 H 1.537 0.01 . 675 69 69 LYS HE2 H 2.898 0.01 . 676 69 69 LYS HE3 H 2.898 0.01 . 677 69 69 LYS HG2 H 1.314 0.01 . 678 69 69 LYS HG3 H 1.314 0.01 . 679 69 69 LYS C C 176.290 0.23 . 680 69 69 LYS CA C 56.125 0.23 . 681 69 69 LYS CB C 33.095 0.23 . 682 69 69 LYS CD C 29.093 0.23 . 683 69 69 LYS CE C 42.024 0.23 . 684 69 69 LYS CG C 24.906 0.23 . 685 69 69 LYS N N 123.764 0.02 . 686 70 70 ARG H H 8.330 0.01 . 687 70 70 ARG HA H 4.485 0.01 . 688 70 70 ARG HB2 H 1.613 0.01 . 689 70 70 ARG HB3 H 1.613 0.01 . 690 70 70 ARG HD2 H 3.074 0.01 . 691 70 70 ARG HD3 H 3.074 0.01 . 692 70 70 ARG HG2 H 1.559 0.01 . 693 70 70 ARG HG3 H 1.559 0.01 . 694 70 70 ARG C C 174.217 0.23 . 695 70 70 ARG CA C 54.032 0.23 . 696 70 70 ARG CB C 30.017 0.23 . 697 70 70 ARG N N 123.915 0.02 . 698 71 71 PRO HA H 4.296 0.01 . 699 71 71 PRO HB2 H 2.171 0.01 . 700 71 71 PRO HB3 H 1.754 0.01 . 701 71 71 PRO C C 176.317 0.23 . 702 71 71 PRO CA C 62.890 0.23 . 703 71 71 PRO CB C 32.099 0.23 . 704 71 71 PRO CD C 50.584 0.23 . 705 71 71 PRO CG C 27.492 0.23 . 706 72 72 ASN H H 8.518 0.01 . 707 72 72 ASN HA H 4.825 0.01 . 708 72 72 ASN HB2 H 2.722 0.01 . 709 72 72 ASN HB3 H 2.578 0.01 . 710 72 72 ASN C C 176.290 0.23 . 711 72 72 ASN CA C 51.024 0.23 . 712 72 72 ASN CB C 38.549 0.23 . 713 72 72 ASN N N 120.199 0.02 . 714 73 73 PRO HA H 4.306 0.01 . 715 73 73 PRO HB2 H 2.203 0.01 . 716 73 73 PRO HB3 H 1.879 0.01 . 717 73 73 PRO C C 177.013 0.23 . 718 73 73 PRO CA C 61.795 0.23 . 719 73 73 PRO CB C 32.049 0.23 . 720 73 73 PRO CD C 50.584 0.23 . 721 73 73 PRO CG C 27.307 0.23 . 722 74 74 SER H H 8.246 0.01 . 723 74 74 SER HA H 4.301 0.01 . 724 74 74 SER HB2 H 3.769 0.01 . 725 74 74 SER HB3 H 3.769 0.01 . 726 74 74 SER C C 174.292 0.23 . 727 74 74 SER CA C 58.448 0.23 . 728 74 74 SER CB C 63.700 0.23 . 729 74 74 SER N N 115.471 0.02 . 730 75 75 ALA H H 8.071 0.01 . 731 75 75 ALA HA H 4.202 0.01 . 732 75 75 ALA HB H 1.237 0.01 . 733 75 75 ALA C C 177.018 0.23 . 734 75 75 ALA CA C 52.606 0.23 . 735 75 75 ALA CB C 19.259 0.23 . 736 75 75 ALA N N 125.505 0.02 . 737 76 76 TYR H H 8.071 0.01 . 738 76 76 TYR HA H 4.458 0.01 . 739 76 76 TYR HB2 H 2.913 0.01 . 740 76 76 TYR HB3 H 2.777 0.01 . 741 76 76 TYR C C 175.221 0.23 . 742 76 76 TYR CA C 57.779 0.23 . 743 76 76 TYR CB C 39.036 0.23 . 744 76 76 TYR N N 120.423 0.02 . 745 77 77 THR H H 7.825 0.01 . 746 77 77 THR HA H 4.354 0.01 . 747 77 77 THR HB H 3.806 0.01 . 748 77 77 THR HG2 H 1.037 0.01 . 749 77 77 THR C C 176.446 0.23 . 750 77 77 THR CA C 59.123 0.23 . 751 77 77 THR CB C 70.436 0.23 . 752 77 77 THR N N 122.148 0.02 . 753 79 79 PRO HA H 4.244 0.01 . 754 79 79 PRO HB2 H 1.877 0.01 . 755 79 79 PRO HB3 H 1.829 0.01 . 756 79 79 PRO C C 176.946 0.23 . 757 79 79 PRO CA C 63.010 0.23 . 758 79 79 PRO CB C 31.700 0.23 . 759 79 79 PRO CD C 50.564 0.23 . 760 79 79 PRO CG C 27.275 0.23 . 761 80 80 SER H H 8.246 0.01 . 762 80 80 SER HA H 4.285 0.01 . 763 80 80 SER HB2 H 3.784 0.01 . 764 80 80 SER HB3 H 3.753 0.01 . 765 80 80 SER C C 174.807 0.23 . 766 80 80 SER CA C 58.083 0.23 . 767 80 80 SER CB C 63.530 0.23 . 768 80 80 SER N N 115.488 0.02 . 769 81 81 LEU H H 8.189 0.01 . 770 81 81 LEU HA H 4.244 0.01 . 771 81 81 LEU HB2 H 1.503 0.01 . 772 81 81 LEU HB3 H 1.503 0.01 . 773 81 81 LEU HD1 H 0.775 0.01 . 774 81 81 LEU HD2 H 0.775 0.01 . 775 81 81 LEU HG H 1.441 0.01 . 776 81 81 LEU C C 177.504 0.23 . 777 81 81 LEU CA C 55.405 0.23 . 778 81 81 LEU CB C 42.079 0.23 . 779 81 81 LEU CD1 C 24.721 0.23 . 780 81 81 LEU CD2 C 23.489 0.23 . 781 81 81 LEU CG C 26.999 0.23 . 782 81 81 LEU N N 124.387 0.02 . 783 82 82 LYS H H 8.082 0.01 . 784 82 82 LYS HA H 4.129 0.01 . 785 82 82 LYS HB2 H 1.707 0.01 . 786 82 82 LYS HB3 H 1.623 0.01 . 787 82 82 LYS HG2 H 1.311 0.01 . 788 82 82 LYS HG3 H 1.311 0.01 . 789 82 82 LYS C C 176.532 0.23 . 790 82 82 LYS CA C 56.562 0.23 . 791 82 82 LYS CB C 32.829 0.23 . 792 82 82 LYS CD C 29.093 0.23 . 793 82 82 LYS CE C 42.024 0.23 . 794 82 82 LYS CG C 24.967 0.23 . 795 82 82 LYS N N 121.546 0.02 . 796 83 83 ALA H H 8.111 0.01 . 797 83 83 ALA HA H 4.181 0.01 . 798 83 83 ALA HB H 1.284 0.01 . 799 83 83 ALA C C 177.995 0.23 . 800 83 83 ALA CA C 52.910 0.23 . 801 83 83 ALA CB C 19.015 0.23 . 802 83 83 ALA N N 124.821 0.02 . 803 84 84 VAL H H 7.983 0.01 . 804 84 84 VAL HA H 3.925 0.01 . 805 84 84 VAL HB H 1.973 0.01 . 806 84 84 VAL HG1 H 0.854 0.01 . 807 84 84 VAL HG2 H 0.854 0.01 . 808 84 84 VAL C C 176.452 0.23 . 809 84 84 VAL CA C 62.647 0.23 . 810 84 84 VAL CB C 32.585 0.23 . 811 84 84 VAL CG1 C 21.044 0.23 . 812 84 84 VAL CG2 C 20.888 0.23 . 813 84 84 VAL N N 119.329 0.02 . 814 85 85 GLN H H 8.299 0.01 . 815 85 85 GLN HA H 4.207 0.01 . 816 85 85 GLN HB2 H 1.952 0.01 . 817 85 85 GLN HB3 H 1.905 0.01 . 818 85 85 GLN HG2 H 2.251 0.01 . 819 85 85 GLN HG3 H 2.251 0.01 . 820 85 85 GLN C C 175.960 0.23 . 821 85 85 GLN CA C 56.187 0.23 . 822 85 85 GLN CB C 29.278 0.23 . 823 85 85 GLN CG C 33.773 0.23 . 824 85 85 GLN N N 123.911 0.02 . 825 86 86 ARG H H 8.294 0.01 . 826 86 86 ARG HA H 4.228 0.01 . 827 86 86 ARG HB2 H 1.717 0.01 . 828 86 86 ARG HB3 H 1.676 0.01 . 829 86 86 ARG HD2 H 3.087 0.01 . 830 86 86 ARG HD3 H 3.087 0.01 . 831 86 86 ARG HG2 H 1.311 0.01 . 832 86 86 ARG HG3 H 1.311 0.01 . 833 86 86 ARG C C 176.489 0.23 . 834 86 86 ARG CA C 55.762 0.23 . 835 86 86 ARG CB C 30.760 0.23 . 836 86 86 ARG CD C 43.379 0.23 . 837 86 86 ARG CG C 27.656 0.23 . 838 86 86 ARG N N 122.831 0.02 . 839 87 87 ILE H H 8.124 0.01 . 840 87 87 ILE HA H 3.983 0.01 . 841 87 87 ILE HB H 1.749 0.01 . 842 87 87 ILE HD1 H 0.749 0.01 . 843 87 87 ILE HG12 H 1.050 0.01 . 844 87 87 ILE HG13 H 1.050 0.01 . 845 87 87 ILE HG2 H 0.788 0.01 . 846 87 87 ILE C C 176.290 0.23 . 847 87 87 ILE CA C 61.442 0.23 . 848 87 87 ILE CB C 38.576 0.23 . 849 87 87 ILE CD1 C 12.930 0.23 . 850 87 87 ILE CG1 C 27.474 0.23 . 851 87 87 ILE CG2 C 17.555 0.23 . 852 87 87 ILE N N 122.595 0.02 . 853 88 88 ALA H H 8.300 0.01 . 854 88 88 ALA HA H 4.171 0.01 . 855 88 88 ALA HB H 1.289 0.01 . 856 88 88 ALA C C 177.920 0.23 . 857 88 88 ALA CA C 52.923 0.23 . 858 88 88 ALA CB C 18.994 0.23 . 859 88 88 ALA N N 127.742 0.02 . 860 89 89 GLU H H 8.270 0.01 . 861 89 89 GLU HA H 4.129 0.01 . 862 89 89 GLU HB2 H 1.931 0.01 . 863 89 89 GLU HB3 H 1.858 0.01 . 864 89 89 GLU HG2 H 2.147 0.01 . 865 89 89 GLU HG3 H 2.147 0.01 . 866 89 89 GLU C C 176.651 0.23 . 867 89 89 GLU CA C 56.988 0.23 . 868 89 89 GLU CB C 30.212 0.23 . 869 89 89 GLU CG C 36.113 0.23 . 870 89 89 GLU N N 120.220 0.02 . 871 90 90 SER H H 8.189 0.01 . 872 90 90 SER HA H 4.280 0.01 . 873 90 90 SER HB2 H 3.743 0.01 . 874 90 90 SER HB3 H 3.743 0.01 . 875 90 90 SER C C 174.578 0.23 . 876 90 90 SER CA C 58.448 0.23 . 877 90 90 SER CB C 63.145 0.23 . 878 90 90 SER N N 116.456 0.02 . 879 91 91 HIS H H 8.459 0.01 . 880 91 91 HIS HA H 4.620 0.01 . 881 91 91 HIS HB2 H 3.205 0.01 . 882 91 91 HIS HB3 H 3.074 0.01 . 883 91 91 HIS C C 174.460 0.23 . 884 91 91 HIS CA C 55.466 0.23 . 885 91 91 HIS CB C 28.873 0.23 . 886 91 91 HIS N N 120.510 0.02 . 887 92 92 LEU H H 8.125 0.01 . 888 92 92 LEU HA H 4.212 0.01 . 889 92 92 LEU HB2 H 1.529 0.01 . 890 92 92 LEU HB3 H 1.462 0.01 . 891 92 92 LEU HD1 H 0.775 0.01 . 892 92 92 LEU HD2 H 0.775 0.01 . 893 92 92 LEU HG H 1.402 0.01 . 894 92 92 LEU C C 177.315 0.23 . 895 92 92 LEU CA C 55.116 0.23 . 896 92 92 LEU CB C 42.147 0.23 . 897 92 92 LEU CD1 C 24.796 0.23 . 898 92 92 LEU CD2 C 23.336 0.23 . 899 92 92 LEU CG C 26.804 0.23 . 900 92 92 LEU N N 122.609 0.02 . 901 93 93 GLN H H 8.353 0.01 . 902 93 93 GLN HA H 4.291 0.01 . 903 93 93 GLN HB2 H 2.015 0.01 . 904 93 93 GLN HB3 H 1.905 0.01 . 905 93 93 GLN HG2 H 2.238 0.01 . 906 93 93 GLN HG3 H 2.238 0.01 . 907 93 93 GLN C C 176.090 0.23 . 908 93 93 GLN CA C 55.649 0.23 . 909 93 93 GLN CB C 29.360 0.23 . 910 93 93 GLN CG C 33.802 0.23 . 911 93 93 GLN N N 121.211 0.02 . 912 94 94 THR H H 8.142 0.01 . 913 94 94 THR HA H 4.353 0.01 . 914 94 94 THR HB H 4.092 0.01 . 915 94 94 THR HG2 H 1.063 0.01 . 916 94 94 THR C C 174.541 0.23 . 917 94 94 THR CA C 61.917 0.23 . 918 94 94 THR CB C 69.767 0.23 . 919 94 94 THR CG2 C 21.519 0.23 . 920 94 94 THR N N 116.114 0.02 . 921 95 95 ILE H H 8.137 0.01 . 922 95 95 ILE HA H 4.113 0.01 . 923 95 95 ILE HB H 1.780 0.01 . 924 95 95 ILE HD1 H 0.671 0.01 . 925 95 95 ILE HG12 H 1.037 0.01 . 926 95 95 ILE HG13 H 1.037 0.01 . 927 95 95 ILE HG2 H 0.801 0.01 . 928 95 95 ILE C C 176.246 0.23 . 929 95 95 ILE CA C 61.421 0.23 . 930 95 95 ILE CB C 38.576 0.23 . 931 95 95 ILE CD1 C 12.960 0.23 . 932 95 95 ILE CG1 C 27.061 0.23 . 933 95 95 ILE CG2 C 17.578 0.23 . 934 95 95 ILE N N 123.018 0.02 . 935 96 96 SER H H 8.313 0.01 . 936 96 96 SER HA H 4.348 0.01 . 937 96 96 SER HB2 H 3.737 0.01 . 938 96 96 SER HB3 H 3.737 0.01 . 939 96 96 SER C C 174.249 0.23 . 940 96 96 SER CA C 58.265 0.23 . 941 96 96 SER CB C 63.742 0.23 . 942 96 96 SER N N 119.746 0.02 . 943 97 97 ASN H H 8.387 0.01 . 944 97 97 ASN HA H 4.625 0.01 . 945 97 97 ASN HB2 H 2.735 0.01 . 946 97 97 ASN HB3 H 2.688 0.01 . 947 97 97 ASN C C 175.226 0.23 . 948 97 97 ASN CA C 53.215 0.23 . 949 97 97 ASN CB C 38.610 0.23 . 950 97 97 ASN N N 121.088 0.02 . 951 98 98 LEU H H 8.146 0.01 . 952 98 98 LEU HA H 4.238 0.01 . 953 98 98 LEU HB2 H 1.514 0.01 . 954 98 98 LEU HB3 H 1.514 0.01 . 955 98 98 LEU HD1 H 0.775 0.01 . 956 98 98 LEU HD2 H 0.775 0.01 . 957 98 98 LEU HG H 1.415 0.01 . 958 98 98 LEU C C 177.628 0.23 . 959 98 98 LEU CA C 55.387 0.23 . 960 98 98 LEU CB C 42.086 0.23 . 961 98 98 LEU CD1 C 24.979 0.23 . 962 98 98 LEU CD2 C 23.275 0.23 . 963 98 98 LEU CG C 26.865 0.23 . 964 98 98 LEU N N 122.292 0.02 . 965 99 99 SER H H 8.218 0.01 . 966 99 99 SER HA H 4.301 0.01 . 967 99 99 SER HB2 H 3.779 0.01 . 968 99 99 SER HB3 H 3.779 0.01 . 969 99 99 SER C C 174.746 0.23 . 970 99 99 SER CA C 58.631 0.23 . 971 99 99 SER CB C 63.681 0.23 . 972 99 99 SER N N 116.240 0.02 . 973 100 100 GLU H H 8.324 0.01 . 974 100 100 GLU HA H 4.176 0.01 . 975 100 100 GLU HB2 H 1.973 0.01 . 976 100 100 GLU HB3 H 1.848 0.01 . 977 100 100 GLU HG2 H 2.160 0.01 . 978 100 100 GLU HG3 H 2.160 0.01 . 979 100 100 GLU C C 176.327 0.23 . 980 100 100 GLU CA C 57.049 0.23 . 981 100 100 GLU CB C 29.955 0.23 . 982 100 100 GLU CG C 36.054 0.23 . 983 100 100 GLU N N 122.315 0.02 . 984 101 101 ASN H H 8.324 0.01 . 985 101 101 ASN HA H 4.578 0.01 . 986 101 101 ASN HB2 H 2.735 0.01 . 987 101 101 ASN HB3 H 2.641 0.01 . 988 101 101 ASN C C 174.379 0.23 . 989 101 101 ASN CA C 53.336 0.23 . 990 101 101 ASN CB C 38.792 0.23 . 991 101 101 ASN N N 119.146 0.02 . 992 102 102 GLN H H 8.236 0.01 . 993 102 102 GLN HA H 4.202 0.01 . 994 102 102 GLN HB2 H 2.015 0.01 . 995 102 102 GLN HB3 H 1.884 0.01 . 996 102 102 GLN HG2 H 2.199 0.01 . 997 102 102 GLN HG3 H 2.199 0.01 . 998 102 102 GLN C C 175.761 0.23 . 999 102 102 GLN CA C 55.892 0.23 . 1000 102 102 GLN CB C 29.360 0.23 . 1001 102 102 GLN CG C 33.711 0.23 . 1002 102 102 GLN N N 120.904 0.02 . 1003 103 103 ALA H H 8.300 0.01 . 1004 103 103 ALA HA H 4.301 0.01 . 1005 103 103 ALA HB H 1.300 0.01 . 1006 103 103 ALA C C 177.866 0.23 . 1007 103 103 ALA CA C 52.862 0.23 . 1008 103 103 ALA CB C 19.179 0.23 . 1009 103 103 ALA N N 125.308 0.02 . 1010 104 104 SER H H 8.241 0.01 . 1011 104 104 SER HA H 4.327 0.01 . 1012 104 104 SER HB2 H 3.805 0.01 . 1013 104 104 SER HB3 H 3.763 0.01 . 1014 104 104 SER C C 174.713 0.23 . 1015 104 104 SER CA C 58.387 0.23 . 1016 104 104 SER CB C 63.700 0.23 . 1017 104 104 SER N N 115.415 0.02 . 1018 105 105 GLU H H 8.417 0.01 . 1019 105 105 GLU HA H 4.218 0.01 . 1020 105 105 GLU HB2 H 1.989 0.01 . 1021 105 105 GLU HB3 H 1.853 0.01 . 1022 105 105 GLU HG2 H 2.186 0.01 . 1023 105 105 GLU HG3 H 2.186 0.01 . 1024 105 105 GLU C C 176.576 0.23 . 1025 105 105 GLU CA C 56.805 0.23 . 1026 105 105 GLU CB C 29.969 0.23 . 1027 105 105 GLU CG C 35.866 0.23 . 1028 105 105 GLU N N 122.687 0.02 . 1029 106 106 GLU H H 8.306 0.01 . 1030 106 106 GLU HA H 4.158 0.01 . 1031 106 106 GLU HB2 H 1.889 0.01 . 1032 106 106 GLU HB3 H 1.853 0.01 . 1033 106 106 GLU HG2 H 2.186 0.01 . 1034 106 106 GLU HG3 H 2.186 0.01 . 1035 106 106 GLU C C 176.603 0.23 . 1036 106 106 GLU CA C 56.485 0.23 . 1037 106 106 GLU CB C 30.017 0.23 . 1038 106 106 GLU N N 121.049 0.02 . 1039 107 107 GLU HA H 4.171 0.01 . 1040 107 107 GLU HB2 H 1.952 0.01 . 1041 107 107 GLU HB3 H 1.858 0.01 . 1042 107 107 GLU C C 176.452 0.23 . 1043 107 107 GLU CA C 55.649 0.23 . 1044 107 107 GLU CB C 30.263 0.23 . 1045 107 107 GLU CG C 35.811 0.23 . 1046 108 108 ASP H H 8.325 0.01 . 1047 108 108 ASP HA H 4.494 0.01 . 1048 108 108 ASP HB2 H 2.594 0.01 . 1049 108 108 ASP HB3 H 2.594 0.01 . 1050 108 108 ASP C C 176.608 0.23 . 1051 108 108 ASP CA C 54.336 0.23 . 1052 108 108 ASP CB C 40.854 0.23 . 1053 108 108 ASP N N 121.464 0.02 . 1054 109 109 GLU H H 8.383 0.01 . 1055 109 109 GLU HA H 4.145 0.01 . 1056 109 109 GLU HB2 H 1.973 0.01 . 1057 109 109 GLU HB3 H 1.884 0.01 . 1058 109 109 GLU HG2 H 2.225 0.01 . 1059 109 109 GLU HG3 H 2.225 0.01 . 1060 109 109 GLU C C 176.894 0.23 . 1061 109 109 GLU CA C 57.292 0.23 . 1062 109 109 GLU CB C 29.786 0.23 . 1063 109 109 GLU CG C 35.750 0.23 . 1064 109 109 GLU N N 121.401 0.02 . 1065 110 110 LEU H H 8.186 0.01 . 1066 110 110 LEU HA H 4.197 0.01 . 1067 110 110 LEU HB2 H 1.629 0.01 . 1068 110 110 LEU HB3 H 1.477 0.01 . 1069 110 110 LEU HD1 H 0.801 0.01 . 1070 110 110 LEU HD2 H 0.801 0.01 . 1071 110 110 LEU HG H 1.415 0.01 . 1072 110 110 LEU C C 178.352 0.23 . 1073 110 110 LEU CA C 55.466 0.23 . 1074 110 110 LEU CB C 42.024 0.23 . 1075 110 110 LEU CD1 C 25.029 0.23 . 1076 110 110 LEU CD2 C 23.120 0.23 . 1077 110 110 LEU CG C 26.814 0.23 . 1078 110 110 LEU N N 121.525 0.02 . 1079 111 111 GLY H H 8.201 0.01 . 1080 111 111 GLY HA2 H 3.810 0.01 . 1081 111 111 GLY HA3 H 3.810 0.01 . 1082 111 111 GLY C C 174.578 0.23 . 1083 111 111 GLY CA C 45.719 0.23 . 1084 111 111 GLY N N 108.905 0.02 . 1085 112 112 GLU H H 8.201 0.01 . 1086 112 112 GLU HA H 4.139 0.01 . 1087 112 112 GLU HB2 H 1.937 0.01 . 1088 112 112 GLU HB3 H 1.863 0.01 . 1089 112 112 GLU HG2 H 2.147 0.01 . 1090 112 112 GLU HG3 H 2.147 0.01 . 1091 112 112 GLU C C 176.802 0.23 . 1092 112 112 GLU CA C 57.048 0.23 . 1093 112 112 GLU CB C 30.030 0.23 . 1094 112 112 GLU CG C 35.805 0.23 . 1095 112 112 GLU N N 120.720 0.02 . 1096 113 113 LEU H H 8.169 0.01 . 1097 113 113 LEU HA H 4.186 0.01 . 1098 113 113 LEU HB2 H 1.576 0.01 . 1099 113 113 LEU HB3 H 1.451 0.01 . 1100 113 113 LEU HD1 H 0.828 0.01 . 1101 113 113 LEU HD2 H 0.828 0.01 . 1102 113 113 LEU HG H 1.389 0.01 . 1103 113 113 LEU C C 177.693 0.23 . 1104 113 113 LEU CA C 55.442 0.23 . 1105 113 113 LEU CB C 40.801 0.23 . 1106 113 113 LEU CD1 C 24.979 0.23 . 1107 113 113 LEU CD2 C 23.397 0.23 . 1108 113 113 LEU CG C 26.865 0.23 . 1109 113 113 LEU N N 122.251 0.02 . 1110 114 114 ARG H H 8.134 0.01 . 1111 114 114 ARG HA H 4.150 0.01 . 1112 114 114 ARG HB2 H 1.691 0.01 . 1113 114 114 ARG HB3 H 1.691 0.01 . 1114 114 114 ARG HD2 H 3.048 0.01 . 1115 114 114 ARG HD3 H 3.048 0.01 . 1116 114 114 ARG HG2 H 1.520 0.01 . 1117 114 114 ARG HG3 H 1.520 0.01 . 1118 114 114 ARG C C 176.646 0.23 . 1119 114 114 ARG CA C 56.562 0.23 . 1120 114 114 ARG CB C 30.821 0.23 . 1121 114 114 ARG CD C 43.194 0.23 . 1122 114 114 ARG CG C 27.307 0.23 . 1123 114 114 ARG N N 121.587 0.02 . 1124 115 115 GLU H H 8.270 0.01 . 1125 115 115 GLU HA H 4.134 0.01 . 1126 115 115 GLU HB2 H 1.947 0.01 . 1127 115 115 GLU HB3 H 1.853 0.01 . 1128 115 115 GLU HG2 H 2.173 0.01 . 1129 115 115 GLU HG3 H 2.173 0.01 . 1130 115 115 GLU C C 176.570 0.23 . 1131 115 115 GLU CA C 56.805 0.23 . 1132 115 115 GLU CB C 29.786 0.23 . 1133 115 115 GLU CG C 36.054 0.23 . 1134 115 115 GLU N N 121.236 0.02 . 1135 116 116 LEU H H 8.104 0.01 . 1136 116 116 LEU HA H 4.218 0.01 . 1137 116 116 LEU HB2 H 1.582 0.01 . 1138 116 116 LEU HB3 H 1.482 0.01 . 1139 116 116 LEU HD1 H 0.762 0.01 . 1140 116 116 LEU HD2 H 0.762 0.01 . 1141 116 116 LEU HG H 1.402 0.01 . 1142 116 116 LEU C C 177.747 0.23 . 1143 116 116 LEU CA C 55.229 0.23 . 1144 116 116 LEU CB C 42.271 0.23 . 1145 116 116 LEU CD1 C 24.979 0.23 . 1146 116 116 LEU CD2 C 23.275 0.23 . 1147 116 116 LEU CG C 26.865 0.23 . 1148 116 116 LEU N N 122.365 0.02 . 1149 117 117 GLY H H 8.159 0.01 . 1150 117 117 GLY HA2 H 3.752 0.01 . 1151 117 117 GLY HA3 H 3.752 0.01 . 1152 117 117 GLY C C 173.362 0.23 . 1153 117 117 GLY CA C 45.022 0.23 . 1154 117 117 GLY N N 108.406 0.02 . 1155 118 118 TYR H H 7.848 0.01 . 1156 118 118 TYR HA H 4.684 0.01 . 1157 118 118 TYR HB2 H 2.946 0.01 . 1158 118 118 TYR HB3 H 2.751 0.01 . 1159 118 118 TYR C C 173.971 0.23 . 1160 118 118 TYR CA C 55.669 0.23 . 1161 118 118 TYR CB C 37.887 0.23 . 1162 118 118 TYR N N 120.759 0.02 . 1163 119 119 PRO HA H 4.327 0.01 . 1164 119 119 PRO HB2 H 2.151 0.01 . 1165 119 119 PRO HB3 H 1.863 0.01 . 1166 119 119 PRO C C 176.047 0.23 . 1167 119 119 PRO CA C 63.560 0.23 . 1168 119 119 PRO CB C 31.673 0.23 . 1169 119 119 PRO CD C 50.598 0.23 . 1170 119 119 PRO CG C 27.474 0.23 . 1171 120 120 GLN H H 7.983 0.01 . 1172 120 120 GLN HA H 4.041 0.01 . 1173 120 120 GLN HB2 H 2.003 0.01 . 1174 120 120 GLN HB3 H 1.794 0.01 . 1175 120 120 GLN HG2 H 2.225 0.01 . 1176 120 120 GLN HG3 H 2.225 0.01 . 1177 120 120 GLN C C 175.469 0.23 . 1178 120 120 GLN CA C 57.292 0.23 . 1179 120 120 GLN CB C 30.760 0.23 . 1180 120 120 GLN N N 126.000 0.02 . stop_ save_