data_4683 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Multiple Modes of Peptide Recognition by the PTB Domain of the cell fate Determinant Numb ; _BMRB_accession_number 4683 _BMRB_flat_file_name bmr4683.str _Entry_type original _Submission_date 2000-03-08 _Accession_date 2000-03-08 _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 Zwahlen Catherine . . 2 Li Shun-Cheng . . 3 Kay Lewis E. . 4 Pawson Tony . . 5 Forman-Kay Julie D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 925 "13C chemical shifts" 624 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-06-19 original author . stop_ _Original_release_date 2000-06-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Zwahlen, C., Li, S-C., Kay, L.E., Pawson, T., and Forman-Kay, J.D., "Multiple Modes of Peptide Recognition by the PTB Domain of the cell fate Determinant Numb," EMBO J. 19, 1505-1515 (2000). ; _Citation_title ; Multiple Modes of Peptide Recognition by the PTB Domain of the cell fate Determinant Numb ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20211393 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zwahlen Catherine . . 2 Li Shun-Cheng . . 3 Kay Lewis E. . 4 Pawson Tony . . 5 Forman-Kay Julie D. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'EMBO Journal' _Journal_volume 19 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1505 _Page_last 1515 _Year 2000 _Details ; 1H, 13C and 15N assigned chemical shift for the PTB domain of Numb complexed to NAK ; loop_ _Keyword 'PTB domain' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; F. Delaglio, S. Grzesiek, G.W. Vuister, G. Zhu, J. Pfeifer, A. Bax J. Biolmol. NMR, 6, 277-293 (1995) ; _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F . . 2 Grzesiek S . . 3 Vuister 'G W' W. . 4 Zhu G . . 5 Pfeifer J . . 6 Bax A . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ save_ref_2 _Saveframe_category citation _Citation_full ; B. A. Johnson, R.A. Blevins, J. Biolmol. NMR, 4, 603-614 (1994) ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 9846878 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_dNumb_PTB _Saveframe_category molecular_system _Mol_system_name 'dNumb PTB' _Abbreviation_common PTB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'dNumb PTB' $dNumb_PTB stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Tyrosine Binding Domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dNumb_PTB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'dNumb PTB' _Abbreviation_common 'dNumb PTB' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GSPGIPDRVPESSKPHQWQA DEEAVRSATCSFSVKYLGCV EVFESRGMQVCEEALKVLRQ SRRRPVRGLLHVSGDGLRVV DDETKGLIVDQTIEKVSFCA PDRNHERGFSYICRDGTTRR WMCHGFLACKDSGERLSHAV GCAFAVCLERKQRRTRAAAS GFSNMSFEDFP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 52 GLY 2 53 SER 3 54 PRO 4 55 GLY 5 56 ILE 6 57 PRO 7 58 ASP 8 59 ARG 9 60 VAL 10 61 PRO 11 62 GLU 12 63 SER 13 64 SER 14 65 LYS 15 66 PRO 16 67 HIS 17 68 GLN 18 69 TRP 19 70 GLN 20 71 ALA 21 72 ASP 22 73 GLU 23 74 GLU 24 75 ALA 25 76 VAL 26 77 ARG 27 78 SER 28 79 ALA 29 80 THR 30 81 CYS 31 82 SER 32 83 PHE 33 84 SER 34 85 VAL 35 86 LYS 36 87 TYR 37 88 LEU 38 89 GLY 39 90 CYS 40 91 VAL 41 92 GLU 42 93 VAL 43 94 PHE 44 95 GLU 45 96 SER 46 97 ARG 47 98 GLY 48 99 MET 49 100 GLN 50 101 VAL 51 102 CYS 52 103 GLU 53 104 GLU 54 105 ALA 55 106 LEU 56 107 LYS 57 108 VAL 58 109 LEU 59 110 ARG 60 111 GLN 61 112 SER 62 113 ARG 63 114 ARG 64 115 ARG 65 116 PRO 66 117 VAL 67 118 ARG 68 119 GLY 69 120 LEU 70 121 LEU 71 122 HIS 72 123 VAL 73 124 SER 74 125 GLY 75 126 ASP 76 127 GLY 77 128 LEU 78 129 ARG 79 130 VAL 80 131 VAL 81 132 ASP 82 133 ASP 83 134 GLU 84 135 THR 85 136 LYS 86 137 GLY 87 138 LEU 88 139 ILE 89 140 VAL 90 141 ASP 91 142 GLN 92 143 THR 93 144 ILE 94 145 GLU 95 146 LYS 96 147 VAL 97 148 SER 98 149 PHE 99 150 CYS 100 151 ALA 101 152 PRO 102 153 ASP 103 154 ARG 104 155 ASN 105 156 HIS 106 157 GLU 107 158 ARG 108 159 GLY 109 160 PHE 110 161 SER 111 162 TYR 112 163 ILE 113 164 CYS 114 165 ARG 115 166 ASP 116 167 GLY 117 168 THR 118 169 THR 119 170 ARG 120 171 ARG 121 172 TRP 122 173 MET 123 174 CYS 124 175 HIS 125 176 GLY 126 177 PHE 127 178 LEU 128 179 ALA 129 180 CYS 130 181 LYS 131 182 ASP 132 183 SER 133 184 GLY 134 185 GLU 135 186 ARG 136 187 LEU 137 188 SER 138 189 HIS 139 190 ALA 140 191 VAL 141 192 GLY 142 193 CYS 143 194 ALA 144 195 PHE 145 196 ALA 146 197 VAL 147 198 CYS 148 199 LEU 149 200 GLU 150 201 ARG 151 202 LYS 152 203 GLN 153 204 ARG 154 205 ARG 155 206 THR 156 207 ARG 157 208 ALA 158 209 ALA 159 210 ALA 160 211 SER 161 1 GLY 162 2 PHE 163 3 SER 164 4 ASN 165 5 MET 166 6 SER 167 7 PHE 168 8 GLU 169 9 ASP 170 10 PHE 171 11 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 4263 "PTB domain of Drosophila Numb protein" 93.57 160 100.00 100.00 7.02e-112 PDB 1DDM "Solution Structure Of The Numb Ptb Domain Complexed To A Nak Peptide" 78.95 135 100.00 100.00 8.15e-93 PDB 2NMB "Dnumb Ptb Domain Complexed With A Phosphotyrosine Peptide, Nmr, Ensemble Of Structures" 93.57 160 100.00 100.00 7.02e-112 GB AAA28730 "numb peptide (put.); putative [Drosophila melanogaster]" 87.72 556 98.67 99.33 2.52e-102 GB AAF52776 "numb, isoform A [Drosophila melanogaster]" 87.72 556 98.67 99.33 2.49e-102 GB AAK93152 "LD25907p [Drosophila melanogaster]" 63.74 458 98.17 99.08 7.41e-71 GB AAN10693 "numb, isoform B [Drosophila melanogaster]" 87.72 515 98.67 99.33 1.02e-102 GB ACL68752 "RE15808p [Drosophila melanogaster]" 87.72 556 98.67 99.33 2.49e-102 REF NP_001260291 "numb, isoform D [Drosophila melanogaster]" 87.72 556 98.67 99.33 2.49e-102 REF NP_523523 "numb, isoform A [Drosophila melanogaster]" 87.72 556 98.67 99.33 2.49e-102 REF NP_723460 "numb, isoform B [Drosophila melanogaster]" 87.72 515 98.67 99.33 1.02e-102 REF XP_001357245 "GA17683 [Drosophila pseudoobscura pseudoobscura]" 87.72 559 98.67 99.33 2.43e-102 REF XP_001964877 "GF22745 [Drosophila ananassae]" 87.72 556 98.00 98.67 1.57e-101 SP P16554 "RecName: Full=Protein numb" 87.72 556 98.67 99.33 2.49e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dNumb_PTB 'Drosophila melanogaster' 32346 Eukaryota . Drosophila melanogaster 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 $dNumb_PTB 'recombinant technology' . . . . . 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 $dNumb_PTB 1.2 mM '[U-95% 13C; U-95% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dNumb_PTB 1.2 mM '[U-95% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dNumb_PTB 1.0 mM '[U-10% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task Processing stop_ _Details . _Citation_label $ref_1 save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Task Analysis stop_ _Details . _Citation_label $ref_2 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label . save_ save_HBCBCACONNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCACONNH _Sample_label . save_ save_CCC-TOCSY-CONNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-CONNH _Sample_label . save_ save_HCC-TOCSY-CONNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-CONNH _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 303 1 K 'ionic strength' 0.15 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H2O H 1 protons ppm 4.75 internal direct cylindrical internal parallel_to_Bo urea N 15 nitrogen ppm 78.98 . direct cylindrical external parallel_to_Bo acetate C 13 'methyl carbons' ppm 25.85 . direct cylindrical external parallel_to_Bo 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'dNumb PTB' _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 . 3 PRO CA C 63.526 0.10 1 2 . 3 PRO HA H 4.431 0.05 1 3 . 3 PRO CB C 31.819 0.10 1 4 . 3 PRO HB2 H 1.953 0.05 1 5 . 3 PRO HB3 H 2.301 0.05 1 6 . 3 PRO CG C 27.255 0.10 1 7 . 3 PRO HG2 H 2.036 0.05 1 8 . 3 PRO HG3 H 2.036 0.05 1 9 . 3 PRO CD C 50.596 0.10 1 10 . 3 PRO HD2 H 3.751 0.05 1 11 . 3 PRO HD3 H 3.834 0.05 1 12 . 3 PRO C C 177.223 0.10 1 13 . 4 GLY N N 109.686 0.10 1 14 . 4 GLY H H 8.428 0.05 1 15 . 4 GLY CA C 45.066 0.10 1 16 . 4 GLY HA2 H 3.893 0.05 1 17 . 4 GLY HA3 H 3.893 0.05 1 18 . 4 GLY C C 172.599 0.10 1 19 . 5 ILE N N 119.737 0.10 1 20 . 5 ILE H H 7.657 0.05 1 21 . 6 PRO CA C 63.061 0.10 1 22 . 6 PRO HA H 4.422 0.05 1 23 . 6 PRO CB C 31.990 0.10 1 24 . 6 PRO HB2 H 1.904 0.05 1 25 . 6 PRO HB3 H 2.288 0.05 1 26 . 6 PRO CG C 27.180 0.10 1 27 . 6 PRO HG2 H 1.990 0.05 1 28 . 6 PRO HG3 H 1.990 0.05 1 29 . 6 PRO CD C 50.824 0.10 1 30 . 6 PRO HD2 H 3.849 0.05 1 31 . 6 PRO HD3 H 3.687 0.05 1 32 . 6 PRO C C 176.396 0.10 1 33 . 7 ASP N N 120.793 0.10 1 34 . 7 ASP H H 8.340 0.05 1 35 . 7 ASP CA C 54.381 0.10 1 36 . 7 ASP HA H 4.535 0.05 1 37 . 7 ASP CB C 41.021 0.10 1 38 . 7 ASP HB2 H 2.634 0.05 1 39 . 7 ASP HB3 H 2.634 0.05 1 40 . 7 ASP C C 175.873 0.10 1 41 . 8 ARG N N 121.128 0.10 1 42 . 8 ARG H H 8.156 0.05 1 43 . 8 ARG CA C 55.538 0.10 1 44 . 8 ARG HA H 4.368 0.05 1 45 . 8 ARG CB C 30.893 0.10 1 46 . 8 ARG HB2 H 1.776 0.05 1 47 . 8 ARG HB3 H 1.776 0.05 1 48 . 8 ARG CG C 26.850 0.10 1 49 . 8 ARG HG2 H 1.588 0.05 1 50 . 8 ARG HG3 H 1.588 0.05 1 51 . 8 ARG CD C 43.203 0.10 1 52 . 8 ARG HD2 H 3.185 0.05 1 53 . 8 ARG HD3 H 3.185 0.05 1 54 . 8 ARG C C 175.766 0.10 1 55 . 9 VAL N N 123.575 0.10 1 56 . 9 VAL H H 8.254 0.05 1 57 . 9 VAL CA C 59.872 0.10 1 58 . 9 VAL HA H 4.398 0.05 1 59 . 9 VAL CB C 32.310 0.10 1 60 . 9 VAL HB H 2.087 0.05 1 61 . 9 VAL CG2 C 20.267 0.10 1 62 . 9 VAL HG2 H 0.958 0.05 1 63 . 9 VAL CG1 C 21.014 0.10 1 64 . 9 VAL HG1 H 0.958 0.05 1 65 . 10 PRO CA C 63.071 0.10 1 66 . 10 PRO HA H 4.403 0.05 1 67 . 10 PRO CB C 31.965 0.10 1 68 . 10 PRO HB2 H 1.908 0.05 1 69 . 10 PRO HB3 H 2.309 0.05 1 70 . 10 PRO CG C 27.343 0.10 1 71 . 10 PRO HG2 H 2.000 0.05 1 72 . 10 PRO HG3 H 2.000 0.05 1 73 . 10 PRO CD C 50.829 0.10 1 74 . 10 PRO HD2 H 3.880 0.05 1 75 . 10 PRO HD3 H 3.683 0.05 1 76 . 10 PRO C C 176.960 0.10 1 77 . 11 GLU N N 122.050 0.10 1 78 . 11 GLU H H 8.598 0.05 1 79 . 11 GLU CA C 57.034 0.10 1 80 . 11 GLU HA H 4.211 0.05 1 81 . 11 GLU CB C 29.954 0.10 1 82 . 11 GLU HB2 H 2.020 0.05 1 83 . 11 GLU HB3 H 2.020 0.05 1 84 . 11 GLU CG C 36.143 0.10 1 85 . 11 GLU HG2 H 2.322 0.05 1 86 . 11 GLU HG3 H 2.322 0.05 1 87 . 11 GLU C C 176.749 0.10 1 88 . 12 SER N N 116.328 0.10 1 89 . 12 SER H H 8.322 0.05 1 90 . 12 SER CA C 58.302 0.10 1 91 . 12 SER HA H 4.425 0.05 1 92 . 12 SER CB C 63.576 0.10 1 93 . 12 SER HB2 H 3.880 0.05 1 94 . 12 SER HB3 H 3.880 0.05 1 95 . 12 SER C C 174.483 0.10 1 96 . 13 SER N N 118.015 0.10 1 97 . 13 SER H H 8.242 0.05 1 98 . 13 SER CA C 58.217 0.10 1 99 . 13 SER HA H 4.458 0.05 1 100 . 13 SER CB C 63.720 0.10 1 101 . 13 SER HB2 H 3.862 0.05 1 102 . 13 SER HB3 H 3.862 0.05 1 103 . 13 SER C C 173.934 0.10 1 104 . 14 LYS N N 124.120 0.10 1 105 . 14 LYS H H 8.108 0.05 1 106 . 14 LYS CA C 54.982 0.10 1 107 . 14 LYS HA H 4.440 0.05 1 108 . 14 LYS CB C 32.000 0.10 1 109 . 14 LYS HB2 H 1.616 0.05 1 110 . 14 LYS HB3 H 1.280 0.05 1 111 . 14 LYS CG C 21.913 0.10 1 112 . 14 LYS HG2 H 1.345 0.05 1 113 . 14 LYS HG3 H 1.252 0.05 1 114 . 14 LYS CE C 41.872 0.10 1 115 . 14 LYS HE2 H 2.887 0.05 1 116 . 14 LYS HE3 H 2.887 0.05 1 117 . 15 PRO CA C 63.374 0.10 1 118 . 15 PRO HA H 4.207 0.05 1 119 . 15 PRO CB C 31.575 0.10 1 120 . 15 PRO HB2 H 1.589 0.05 1 121 . 15 PRO HB3 H 2.154 0.05 1 122 . 15 PRO CG C 27.304 0.10 1 123 . 15 PRO HG2 H 1.771 0.05 1 124 . 15 PRO HG3 H 1.771 0.05 1 125 . 15 PRO CD C 50.122 0.10 1 126 . 15 PRO HD2 H 3.610 0.05 1 127 . 15 PRO HD3 H 3.304 0.05 1 128 . 15 PRO C C 177.326 0.10 1 129 . 16 HIS N N 119.695 0.10 1 130 . 16 HIS H H 8.365 0.05 1 131 . 16 HIS CA C 56.744 0.10 1 132 . 16 HIS HA H 4.368 0.05 1 133 . 16 HIS CB C 29.081 0.10 1 134 . 16 HIS HB2 H 3.049 0.05 1 135 . 16 HIS HB3 H 3.049 0.05 1 136 . 16 HIS HD2 H 7.150 0.05 1 137 . 16 HIS C C 175.868 0.10 1 138 . 17 GLN N N 121.690 0.10 1 139 . 17 GLN H H 8.291 0.05 1 140 . 17 GLN CA C 57.428 0.10 1 141 . 17 GLN HA H 4.033 0.05 1 142 . 17 GLN CB C 28.753 0.10 1 143 . 17 GLN HB2 H 1.783 0.05 1 144 . 17 GLN HB3 H 1.783 0.05 1 145 . 17 GLN CG C 33.350 0.10 1 146 . 17 GLN HG2 H 1.938 0.05 1 147 . 17 GLN HG3 H 1.938 0.05 1 148 . 17 GLN NE2 N 111.853 0.10 1 149 . 17 GLN HE21 H 7.077 0.05 1 150 . 17 GLN HE22 H 6.795 0.05 1 151 . 17 GLN C C 176.380 0.10 1 152 . 18 TRP N N 120.178 0.10 1 153 . 18 TRP H H 8.557 0.05 1 154 . 18 TRP CA C 57.413 0.10 1 155 . 18 TRP HA H 4.776 0.05 1 156 . 18 TRP CB C 27.901 0.10 1 157 . 18 TRP HB2 H 2.969 0.05 1 158 . 18 TRP HB3 H 3.238 0.05 1 159 . 18 TRP HD1 H 6.954 0.05 1 160 . 18 TRP HE3 H 6.956 0.05 1 161 . 18 TRP C C 178.061 0.10 1 162 . 19 GLN N N 121.399 0.10 1 163 . 19 GLN H H 8.002 0.05 1 164 . 19 GLN CA C 59.098 0.10 1 165 . 19 GLN HA H 4.123 0.05 1 166 . 19 GLN CB C 28.155 0.10 1 167 . 19 GLN HB2 H 2.226 0.05 1 168 . 19 GLN HB3 H 2.226 0.05 1 169 . 19 GLN CG C 33.607 0.10 1 170 . 19 GLN HG2 H 2.418 0.05 1 171 . 19 GLN HG3 H 2.418 0.05 1 172 . 19 GLN NE2 N 112.071 0.10 1 173 . 19 GLN HE21 H 7.579 0.05 1 174 . 19 GLN HE22 H 6.827 0.05 1 175 . 19 GLN C C 178.278 0.10 1 176 . 20 ALA N N 122.101 0.10 1 177 . 20 ALA H H 8.448 0.05 1 178 . 20 ALA CA C 54.654 0.10 1 179 . 20 ALA HA H 4.215 0.05 1 180 . 20 ALA CB C 17.744 0.10 1 181 . 20 ALA HB H 1.494 0.05 1 182 . 20 ALA C C 180.386 0.10 1 183 . 21 ASP N N 119.834 0.10 1 184 . 21 ASP H H 8.160 0.05 1 185 . 21 ASP CA C 56.643 0.10 1 186 . 21 ASP HA H 4.428 0.05 1 187 . 21 ASP CB C 39.256 0.10 1 188 . 21 ASP HB2 H 2.669 0.05 1 189 . 21 ASP HB3 H 3.074 0.05 1 190 . 21 ASP C C 177.605 0.10 1 191 . 22 GLU N N 120.303 0.10 1 192 . 22 GLU H H 7.927 0.05 1 193 . 22 GLU CA C 60.032 0.10 1 194 . 22 GLU HA H 3.912 0.05 1 195 . 22 GLU CB C 28.711 0.10 1 196 . 22 GLU HB2 H 2.292 0.05 1 197 . 22 GLU HB3 H 2.292 0.05 1 198 . 22 GLU CG C 36.305 0.10 1 199 . 22 GLU HG2 H 2.383 0.05 1 200 . 22 GLU HG3 H 2.383 0.05 1 201 . 22 GLU C C 178.421 0.10 1 202 . 23 GLU N N 118.216 0.10 1 203 . 23 GLU H H 7.658 0.05 1 204 . 23 GLU CA C 58.806 0.10 1 205 . 23 GLU HA H 3.996 0.05 1 206 . 23 GLU CB C 28.845 0.10 1 207 . 23 GLU HB2 H 2.086 0.05 1 208 . 23 GLU HB3 H 2.086 0.05 1 209 . 23 GLU CG C 35.858 0.10 1 210 . 23 GLU HG2 H 2.339 0.05 1 211 . 23 GLU HG3 H 2.339 0.05 1 212 . 23 GLU C C 178.828 0.10 1 213 . 24 ALA N N 123.585 0.10 1 214 . 24 ALA H H 7.830 0.05 1 215 . 24 ALA CA C 54.371 0.10 1 216 . 24 ALA HA H 4.080 0.05 1 217 . 24 ALA CB C 17.552 0.10 1 218 . 24 ALA HB H 1.345 0.05 1 219 . 24 ALA C C 179.430 0.10 1 220 . 25 VAL N N 121.372 0.10 1 221 . 25 VAL H H 8.592 0.05 1 222 . 25 VAL CA C 66.340 0.10 1 223 . 25 VAL HA H 3.716 0.05 1 224 . 25 VAL CB C 31.577 0.10 1 225 . 25 VAL HB H 2.146 0.05 1 226 . 25 VAL CG2 C 23.342 0.10 1 227 . 25 VAL HG2 H 1.000 0.05 2 228 . 25 VAL CG1 C 20.373 0.10 1 229 . 25 VAL HG1 H 0.572 0.05 1 230 . 25 VAL C C 179.337 0.10 1 231 . 26 ARG N N 119.190 0.10 1 232 . 26 ARG H H 8.028 0.05 1 233 . 26 ARG CA C 60.181 0.10 1 234 . 26 ARG HA H 3.867 0.05 1 235 . 26 ARG CB C 29.934 0.10 1 236 . 26 ARG HB2 H 1.857 0.05 1 237 . 26 ARG HB3 H 1.857 0.05 1 238 . 26 ARG CG C 29.804 0.10 1 239 . 26 ARG HG2 H 1.551 0.05 1 240 . 26 ARG HG3 H 1.734 0.05 1 241 . 26 ARG CD C 42.894 0.10 1 242 . 26 ARG HD2 H 3.099 0.05 1 243 . 26 ARG HD3 H 3.215 0.05 1 244 . 26 ARG C C 177.787 0.10 1 245 . 27 SER N N 112.323 0.10 1 246 . 27 SER H H 8.059 0.05 1 247 . 27 SER CA C 58.420 0.10 1 248 . 27 SER HA H 4.467 0.05 1 249 . 27 SER CB C 63.840 0.10 1 250 . 27 SER HB2 H 4.082 0.05 1 251 . 27 SER HB3 H 4.082 0.05 1 252 . 27 SER C C 172.886 0.10 1 253 . 28 ALA N N 124.102 0.10 1 254 . 28 ALA H H 8.087 0.05 1 255 . 28 ALA CA C 53.268 0.10 1 256 . 28 ALA HA H 4.146 0.05 1 257 . 28 ALA CB C 16.813 0.10 1 258 . 28 ALA HB H 1.537 0.05 1 259 . 28 ALA C C 176.307 0.10 1 260 . 29 THR N N 108.021 0.10 1 261 . 29 THR H H 8.603 0.05 1 262 . 29 THR CA C 60.483 0.10 1 263 . 29 THR HA H 4.516 0.05 1 264 . 29 THR CB C 69.508 0.10 1 265 . 29 THR HB H 4.332 0.05 1 266 . 29 THR CG2 C 21.428 0.10 1 267 . 29 THR HG2 H 1.062 0.05 1 268 . 29 THR C C 173.720 0.10 1 269 . 30 CYS N N 124.334 0.10 1 270 . 30 CYS H H 7.442 0.05 1 271 . 30 CYS CA C 58.404 0.10 1 272 . 30 CYS HA H 4.207 0.05 1 273 . 30 CYS CB C 27.328 0.10 1 274 . 30 CYS HB2 H 2.195 0.05 1 275 . 30 CYS HB3 H 3.098 0.05 1 276 . 30 CYS C C 173.090 0.10 1 277 . 31 SER N N 124.586 0.10 1 278 . 31 SER H H 7.996 0.05 1 279 . 31 SER CA C 56.611 0.10 1 280 . 31 SER HA H 5.387 0.05 1 281 . 31 SER CB C 65.567 0.10 1 282 . 31 SER HB2 H 3.010 0.05 1 283 . 31 SER HB3 H 3.382 0.05 1 284 . 31 SER C C 172.130 0.10 1 285 . 32 PHE N N 116.422 0.10 1 286 . 32 PHE H H 8.578 0.05 1 287 . 32 PHE CA C 55.719 0.10 1 288 . 32 PHE HA H 5.002 0.05 1 289 . 32 PHE CB C 43.796 0.10 1 290 . 32 PHE HB2 H 2.298 0.05 1 291 . 32 PHE HB3 H 2.895 0.05 1 292 . 32 PHE HD1 H 6.937 0.05 1 293 . 32 PHE HE1 H 6.818 0.05 1 294 . 32 PHE HE2 H 6.818 0.05 1 295 . 32 PHE HD2 H 6.937 0.05 1 296 . 32 PHE C C 175.375 0.10 1 297 . 33 SER N N 119.770 0.10 1 298 . 33 SER H H 9.368 0.05 1 299 . 33 SER CA C 59.101 0.10 1 300 . 33 SER HA H 4.936 0.05 1 301 . 33 SER CB C 62.940 0.10 1 302 . 33 SER HB2 H 3.968 0.05 1 303 . 33 SER HB3 H 3.968 0.05 1 304 . 33 SER C C 175.773 0.10 1 305 . 34 VAL N N 120.786 0.10 1 306 . 34 VAL H H 9.180 0.05 1 307 . 34 VAL CA C 60.147 0.10 1 308 . 34 VAL HA H 5.417 0.05 1 309 . 34 VAL CB C 37.932 0.10 1 310 . 34 VAL HB H 2.372 0.05 1 311 . 34 VAL CG2 C 17.795 0.10 1 312 . 34 VAL HG2 H 0.920 0.05 1 313 . 34 VAL CG1 C 22.100 0.10 1 314 . 34 VAL HG1 H 0.906 0.05 1 315 . 34 VAL C C 174.544 0.10 1 316 . 35 LYS N N 119.185 0.10 1 317 . 35 LYS H H 9.137 0.05 1 318 . 35 LYS CA C 55.341 0.10 1 319 . 35 LYS HA H 4.972 0.05 1 320 . 35 LYS CB C 33.429 0.10 1 321 . 35 LYS HB2 H 1.423 0.05 1 322 . 35 LYS HB3 H 1.855 0.05 1 323 . 35 LYS CG C 26.053 0.10 1 324 . 35 LYS HG2 H 1.203 0.05 1 325 . 35 LYS HG3 H 1.203 0.05 1 326 . 35 LYS CD C 29.840 0.10 1 327 . 35 LYS HD2 H 1.623 0.05 1 328 . 35 LYS HD3 H 1.623 0.05 1 329 . 35 LYS CE C 41.967 0.10 1 330 . 35 LYS HE2 H 2.935 0.05 1 331 . 35 LYS HE3 H 2.935 0.05 1 332 . 35 LYS C C 175.619 0.10 1 333 . 36 TYR N N 125.005 0.10 1 334 . 36 TYR H H 9.688 0.05 1 335 . 36 TYR CA C 56.155 0.10 1 336 . 36 TYR HA H 4.743 0.05 1 337 . 36 TYR CB C 38.620 0.10 1 338 . 36 TYR HB2 H 2.764 0.05 1 339 . 36 TYR HB3 H 2.891 0.05 1 340 . 36 TYR HD1 H 7.149 0.05 1 341 . 36 TYR HE1 H 6.840 0.05 1 342 . 36 TYR HE2 H 6.610 0.05 1 343 . 36 TYR HD2 H 6.456 0.05 1 344 . 36 TYR C C 175.410 0.10 1 345 . 37 LEU N N 127.543 0.10 1 346 . 37 LEU H H 8.370 0.05 1 347 . 37 LEU CA C 54.499 0.10 1 348 . 37 LEU HA H 3.984 0.05 1 349 . 37 LEU CB C 42.747 0.10 1 350 . 37 LEU CG C 27.338 0.10 1 351 . 37 LEU HG H 1.240 0.05 1 352 . 37 LEU CD1 C 25.600 0.10 1 353 . 37 LEU HD1 H 0.552 0.05 1 354 . 37 LEU CD2 C 21.393 0.10 1 355 . 37 LEU HD2 H 0.608 0.05 1 356 . 37 LEU C C 175.273 0.10 1 357 . 38 GLY N N 130.084 0.10 1 358 . 38 GLY H H 5.147 0.05 1 359 . 38 GLY CA C 43.222 0.10 1 360 . 38 GLY HA2 H 2.849 0.05 1 361 . 38 GLY HA3 H 4.111 0.05 1 362 . 38 GLY C C 170.117 0.10 1 363 . 39 CYS N N 111.200 0.10 1 364 . 39 CYS H H 7.935 0.05 1 365 . 39 CYS CA C 53.370 0.10 1 366 . 39 CYS HA H 5.778 0.05 1 367 . 39 CYS CB C 30.406 0.10 1 368 . 39 CYS HB2 H 1.593 0.05 1 369 . 39 CYS HB3 H 1.593 0.05 1 370 . 39 CYS C C 173.219 0.10 1 371 . 40 VAL N N 117.471 0.10 1 372 . 40 VAL H H 8.300 0.05 1 373 . 40 VAL CA C 59.047 0.10 1 374 . 40 VAL HA H 4.414 0.05 1 375 . 40 VAL CB C 35.735 0.10 1 376 . 40 VAL HB H 1.948 0.05 1 377 . 40 VAL CG2 C 20.298 0.10 1 378 . 40 VAL HG2 H 0.938 0.05 1 379 . 40 VAL CG1 C 20.475 0.10 1 380 . 40 VAL HG1 H 0.787 0.05 1 381 . 40 VAL C C 172.553 0.10 1 382 . 41 GLU N N 128.139 0.10 1 383 . 41 GLU H H 8.455 0.05 1 384 . 41 GLU CA C 57.002 0.10 1 385 . 41 GLU HA H 5.016 0.05 1 386 . 41 GLU CB C 29.374 0.10 1 387 . 41 GLU HB2 H 1.738 0.05 1 388 . 41 GLU HB3 H 1.738 0.05 1 389 . 41 GLU CG C 35.855 0.10 1 390 . 41 GLU HG2 H 2.566 0.05 1 391 . 41 GLU HG3 H 2.566 0.05 1 392 . 41 GLU C C 176.122 0.10 1 393 . 42 VAL N N 118.188 0.10 1 394 . 42 VAL H H 8.239 0.05 1 395 . 42 VAL CA C 58.702 0.10 1 396 . 42 VAL HA H 4.379 0.05 1 397 . 42 VAL CB C 35.249 0.10 1 398 . 42 VAL CG2 C 23.624 0.10 1 399 . 42 VAL HG2 H 0.786 0.05 1 400 . 42 VAL CG1 C 18.830 0.10 1 401 . 42 VAL HG1 H 0.786 0.05 1 402 . 42 VAL C C 174.790 0.10 1 403 . 43 PHE N N 115.843 0.10 1 404 . 43 PHE H H 8.673 0.05 1 405 . 43 PHE CA C 57.971 0.10 1 406 . 43 PHE HA H 4.888 0.05 1 407 . 43 PHE CB C 39.519 0.10 1 408 . 43 PHE HB2 H 2.729 0.05 1 409 . 43 PHE HB3 H 3.576 0.05 1 410 . 43 PHE HD1 H 7.315 0.05 1 411 . 43 PHE HE1 H 7.314 0.05 1 412 . 43 PHE HE2 H 7.314 0.05 1 413 . 43 PHE HD2 H 7.315 0.05 1 414 . 43 PHE C C 174.770 0.10 1 415 . 44 GLU N N 117.845 0.10 1 416 . 44 GLU H H 7.154 0.05 1 417 . 44 GLU CA C 54.052 0.10 1 418 . 44 GLU HA H 4.248 0.05 1 419 . 44 GLU CB C 34.293 0.10 1 420 . 44 GLU HB2 H 1.600 0.05 1 421 . 44 GLU HB3 H 1.992 0.05 1 422 . 44 GLU CG C 36.179 0.10 1 423 . 44 GLU HG2 H 2.180 0.05 1 424 . 44 GLU HG3 H 2.180 0.05 1 425 . 44 GLU C C 173.016 0.10 1 426 . 45 SER N N 109.933 0.10 1 427 . 45 SER H H 7.566 0.05 1 428 . 45 SER CA C 57.765 0.10 1 429 . 45 SER HA H 2.804 0.05 1 430 . 45 SER CB C 63.447 0.10 1 431 . 45 SER HB2 H 1.530 0.05 1 432 . 45 SER HB3 H 2.574 0.05 1 433 . 45 SER C C 173.292 0.10 1 434 . 46 ARG N N 114.304 0.10 1 435 . 46 ARG H H 6.786 0.05 1 436 . 46 ARG CA C 53.854 0.10 1 437 . 46 ARG HA H 3.494 0.05 1 438 . 46 ARG CB C 32.337 0.10 1 439 . 46 ARG HB2 H 1.444 0.05 1 440 . 46 ARG HB3 H 0.937 0.05 1 441 . 46 ARG CG C 25.050 0.10 1 442 . 46 ARG HG2 H 1.193 0.05 1 443 . 46 ARG HG3 H 1.058 0.05 1 444 . 46 ARG CD C 43.192 0.10 1 445 . 46 ARG HD2 H 2.949 0.05 1 446 . 46 ARG HD3 H 2.949 0.05 1 447 . 46 ARG C C 172.966 0.10 1 448 . 47 GLY N N 103.987 0.10 1 449 . 47 GLY H H 3.198 0.05 1 450 . 47 GLY CA C 44.330 0.10 1 451 . 47 GLY HA2 H 3.200 0.05 1 452 . 47 GLY HA3 H 4.253 0.05 1 453 . 47 GLY C C 173.446 0.10 1 454 . 48 MET N N 128.249 0.10 1 455 . 48 MET H H 9.038 0.05 1 456 . 48 MET CA C 59.560 0.10 1 457 . 48 MET HA H 4.031 0.05 1 458 . 48 MET CB C 32.366 0.10 1 459 . 48 MET HB2 H 2.128 0.05 1 460 . 48 MET HB3 H 2.128 0.05 1 461 . 48 MET CG C 32.386 0.10 1 462 . 48 MET HG2 H 2.736 0.05 1 463 . 48 MET HG3 H 2.736 0.05 1 464 . 48 MET CE C 16.946 0.10 1 465 . 48 MET HE H 2.117 0.05 1 466 . 48 MET C C 177.501 0.10 1 467 . 49 GLN N N 118.443 0.10 1 468 . 49 GLN H H 8.806 0.05 1 469 . 49 GLN CA C 58.915 0.10 1 470 . 49 GLN HA H 4.151 0.05 1 471 . 49 GLN CB C 27.550 0.10 1 472 . 49 GLN HB2 H 2.059 0.05 1 473 . 49 GLN HB3 H 2.059 0.05 1 474 . 49 GLN CG C 33.926 0.10 1 475 . 49 GLN HG2 H 2.420 0.05 1 476 . 49 GLN HG3 H 2.420 0.05 1 477 . 49 GLN NE2 N 112.064 0.10 1 478 . 49 GLN HE21 H 7.633 0.05 1 479 . 49 GLN HE22 H 6.827 0.05 1 480 . 49 GLN C C 177.584 0.10 1 481 . 50 VAL N N 120.146 0.10 1 482 . 50 VAL H H 6.885 0.05 1 483 . 50 VAL CA C 65.368 0.10 1 484 . 50 VAL HA H 3.594 0.05 1 485 . 50 VAL CB C 31.261 0.10 1 486 . 50 VAL HB H 1.897 0.05 1 487 . 50 VAL CG2 C 22.239 0.10 1 488 . 50 VAL HG2 H 0.832 0.05 1 489 . 50 VAL CG1 C 21.056 0.10 1 490 . 50 VAL HG1 H 0.835 0.05 1 491 . 50 VAL C C 178.918 0.10 1 492 . 51 CYS N N 118.644 0.10 1 493 . 51 CYS H H 7.059 0.05 1 494 . 51 CYS CA C 63.438 0.10 1 495 . 51 CYS HA H 4.167 0.05 1 496 . 51 CYS CB C 26.985 0.10 1 497 . 51 CYS HB2 H 2.925 0.05 1 498 . 51 CYS HB3 H 3.151 0.05 1 499 . 51 CYS C C 176.083 0.10 1 500 . 52 GLU N N 119.781 0.10 1 501 . 52 GLU H H 8.474 0.05 1 502 . 52 GLU CA C 59.522 0.10 1 503 . 52 GLU HA H 3.881 0.05 1 504 . 52 GLU CB C 29.730 0.10 1 505 . 52 GLU HB2 H 1.934 0.05 1 506 . 52 GLU HB3 H 2.191 0.05 1 507 . 52 GLU CG C 36.830 0.10 1 508 . 52 GLU HG2 H 2.518 0.05 1 509 . 52 GLU HG3 H 2.518 0.05 1 510 . 52 GLU C C 180.221 0.10 1 511 . 53 GLU N N 119.324 0.10 1 512 . 53 GLU H H 8.116 0.05 1 513 . 53 GLU CA C 58.748 0.10 1 514 . 53 GLU HA H 4.019 0.05 1 515 . 53 GLU CB C 28.828 0.10 1 516 . 53 GLU HB2 H 2.084 0.05 1 517 . 53 GLU HB3 H 2.084 0.05 1 518 . 53 GLU CG C 36.004 0.10 1 519 . 53 GLU HG2 H 2.419 0.05 1 520 . 53 GLU HG3 H 2.419 0.05 1 521 . 53 GLU C C 178.576 0.10 1 522 . 54 ALA N N 123.189 0.10 1 523 . 54 ALA H H 7.595 0.05 1 524 . 54 ALA CA C 54.903 0.10 1 525 . 54 ALA HA H 4.027 0.05 1 526 . 54 ALA CB C 18.721 0.10 1 527 . 54 ALA HB H 1.311 0.05 1 528 . 54 ALA C C 179.394 0.10 1 529 . 55 LEU N N 118.769 0.10 1 530 . 55 LEU H H 8.522 0.05 1 531 . 55 LEU CA C 57.962 0.10 1 532 . 55 LEU HA H 3.793 0.05 1 533 . 55 LEU CB C 41.220 0.10 1 534 . 55 LEU HB2 H 1.729 0.05 1 535 . 55 LEU HB3 H 1.729 0.05 1 536 . 55 LEU CG C 27.795 0.10 1 537 . 55 LEU HG H 1.535 0.05 1 538 . 55 LEU CD1 C 25.104 0.10 1 539 . 55 LEU HD1 H 0.835 0.05 1 540 . 55 LEU CD2 C 24.529 0.10 1 541 . 55 LEU HD2 H 0.835 0.05 1 542 . 55 LEU C C 178.810 0.10 1 543 . 56 LYS N N 118.694 0.10 1 544 . 56 LYS H H 7.545 0.05 1 545 . 56 LYS CA C 60.159 0.10 1 546 . 56 LYS HA H 3.841 0.05 1 547 . 56 LYS CB C 32.127 0.10 1 548 . 56 LYS HB2 H 1.926 0.05 1 549 . 56 LYS HB3 H 1.926 0.05 1 550 . 56 LYS CG C 25.137 0.10 1 551 . 56 LYS HG2 H 1.308 0.05 1 552 . 56 LYS HG3 H 1.308 0.05 1 553 . 56 LYS CD C 29.685 0.10 1 554 . 56 LYS HD2 H 1.665 0.05 1 555 . 56 LYS HD3 H 1.665 0.05 1 556 . 56 LYS CE C 41.628 0.10 1 557 . 56 LYS HE2 H 2.837 0.05 1 558 . 56 LYS HE3 H 2.837 0.05 1 559 . 56 LYS C C 179.153 0.10 1 560 . 57 VAL N N 119.231 0.10 1 561 . 57 VAL H H 7.392 0.05 1 562 . 57 VAL CA C 65.930 0.10 1 563 . 57 VAL HA H 3.640 0.05 1 564 . 57 VAL CB C 31.485 0.10 1 565 . 57 VAL HB H 2.266 0.05 1 566 . 57 VAL CG2 C 22.328 0.10 1 567 . 57 VAL HG2 H 1.073 0.05 1 568 . 57 VAL CG1 C 21.085 0.10 1 569 . 57 VAL HG1 H 0.921 0.05 1 570 . 57 VAL C C 179.986 0.10 1 571 . 58 LEU N N 122.013 0.10 1 572 . 58 LEU H H 8.530 0.05 1 573 . 58 LEU CA C 57.672 0.10 1 574 . 58 LEU HA H 3.839 0.05 1 575 . 58 LEU CB C 42.046 0.10 1 576 . 58 LEU HB2 H 1.769 0.05 1 577 . 58 LEU HB3 H 1.030 0.05 1 578 . 58 LEU CG C 25.663 0.10 1 579 . 58 LEU HG H 1.577 0.05 1 580 . 58 LEU CD1 C 25.564 0.10 1 581 . 58 LEU HD1 H 0.484 0.05 1 582 . 58 LEU CD2 C 22.779 0.10 1 583 . 58 LEU HD2 H 0.401 0.05 1 584 . 58 LEU C C 180.063 0.10 1 585 . 59 ARG N N 118.255 0.10 1 586 . 59 ARG H H 8.458 0.05 1 587 . 59 ARG CA C 59.069 0.10 1 588 . 59 ARG HA H 3.975 0.05 1 589 . 59 ARG CB C 30.581 0.10 1 590 . 59 ARG HB2 H 1.884 0.05 1 591 . 59 ARG HB3 H 1.884 0.05 1 592 . 59 ARG CG C 29.333 0.10 1 593 . 59 ARG HG2 H 1.435 0.05 1 594 . 59 ARG HG3 H 1.435 0.05 1 595 . 59 ARG CD C 43.703 0.10 1 596 . 59 ARG HD2 H 2.993 0.05 1 597 . 59 ARG HD3 H 2.993 0.05 1 598 . 59 ARG C C 177.267 0.10 1 599 . 60 GLN N N 116.696 0.10 1 600 . 60 GLN H H 7.499 0.05 1 601 . 60 GLN CA C 55.595 0.10 1 602 . 60 GLN HA H 4.362 0.05 1 603 . 60 GLN CB C 28.781 0.10 1 604 . 60 GLN HB2 H 2.091 0.05 1 605 . 60 GLN HB3 H 2.230 0.05 1 606 . 60 GLN CG C 33.953 0.10 1 607 . 60 GLN HG2 H 2.419 0.05 1 608 . 60 GLN HG3 H 2.563 0.05 1 609 . 60 GLN NE2 N 111.029 0.10 1 610 . 60 GLN HE21 H 7.343 0.05 1 611 . 60 GLN HE22 H 6.839 0.05 1 612 . 60 GLN C C 175.969 0.10 1 613 . 61 SER N N 114.630 0.10 1 614 . 61 SER H H 7.300 0.05 1 615 . 61 SER CA C 59.098 0.10 1 616 . 61 SER HA H 4.301 0.05 1 617 . 61 SER CB C 63.916 0.10 1 618 . 61 SER HB2 H 3.989 0.05 1 619 . 61 SER HB3 H 3.989 0.05 1 620 . 61 SER C C 174.695 0.10 1 621 . 62 ARG N N 121.933 0.10 1 622 . 62 ARG H H 8.455 0.05 1 623 . 62 ARG CA C 56.067 0.10 1 624 . 62 ARG HA H 4.263 0.05 1 625 . 62 ARG CB C 28.984 0.10 1 626 . 62 ARG HB2 H 1.805 0.05 1 627 . 62 ARG HB3 H 2.013 0.05 1 628 . 62 ARG CG C 27.209 0.10 1 629 . 62 ARG HG2 H 1.685 0.05 1 630 . 62 ARG HG3 H 1.685 0.05 1 631 . 62 ARG CD C 43.040 0.10 1 632 . 62 ARG HD2 H 3.216 0.05 1 633 . 62 ARG HD3 H 3.216 0.05 1 634 . 62 ARG C C 176.167 0.10 1 635 . 63 ARG N N 121.506 0.10 1 636 . 63 ARG H H 7.905 0.05 1 637 . 63 ARG CA C 55.641 0.10 1 638 . 63 ARG HA H 4.214 0.05 1 639 . 63 ARG CB C 30.644 0.10 1 640 . 63 ARG HB2 H 1.686 0.05 1 641 . 63 ARG HB3 H 1.686 0.05 1 642 . 63 ARG CG C 27.053 0.10 1 643 . 63 ARG HG2 H 1.570 0.05 1 644 . 63 ARG HG3 H 1.570 0.05 1 645 . 63 ARG CD C 43.281 0.10 1 646 . 63 ARG HD2 H 3.156 0.05 1 647 . 63 ARG HD3 H 3.156 0.05 1 648 . 63 ARG C C 176.136 0.10 1 649 . 64 ARG N N 127.376 0.10 1 650 . 64 ARG H H 8.657 0.05 1 651 . 64 ARG CA C 54.269 0.10 1 652 . 64 ARG HA H 4.494 0.05 1 653 . 64 ARG CB C 30.166 0.10 1 654 . 64 ARG HB2 H 1.754 0.05 1 655 . 64 ARG HB3 H 1.754 0.05 1 656 . 64 ARG HG2 H 1.754 0.05 1 657 . 64 ARG HG3 H 1.754 0.05 1 658 . 64 ARG CD C 42.888 0.10 1 659 . 64 ARG HD2 H 2.971 0.05 1 660 . 64 ARG HD3 H 2.971 0.05 1 661 . 65 PRO CA C 62.387 0.10 1 662 . 65 PRO HA H 4.498 0.05 1 663 . 65 PRO CB C 32.831 0.10 1 664 . 65 PRO HB2 H 1.593 0.05 1 665 . 65 PRO HB3 H 1.980 0.05 1 666 . 65 PRO CG C 26.839 0.10 1 667 . 65 PRO CD C 50.677 0.10 1 668 . 65 PRO HD2 H 4.126 0.05 1 669 . 65 PRO HD3 H 3.644 0.05 1 670 . 65 PRO C C 175.953 0.10 1 671 . 66 VAL N N 121.840 0.10 1 672 . 66 VAL H H 8.045 0.05 1 673 . 66 VAL CA C 61.548 0.10 1 674 . 66 VAL HA H 4.303 0.05 1 675 . 66 VAL CB C 34.448 0.10 1 676 . 66 VAL HB H 2.158 0.05 1 677 . 66 VAL CG2 C 21.114 0.10 1 678 . 66 VAL HG2 H 1.045 0.05 1 679 . 66 VAL CG1 C 21.114 0.10 1 680 . 66 VAL HG1 H 1.045 0.05 1 681 . 66 VAL C C 175.632 0.10 1 682 . 67 ARG N N 129.710 0.10 1 683 . 67 ARG H H 8.986 0.05 1 684 . 67 ARG CA C 55.389 0.10 1 685 . 67 ARG HA H 4.945 0.05 1 686 . 67 ARG CB C 30.486 0.10 1 687 . 67 ARG HB2 H 1.822 0.05 1 688 . 67 ARG HB3 H 2.038 0.05 1 689 . 67 ARG CG C 28.131 0.10 1 690 . 67 ARG HG2 H 1.687 0.05 1 691 . 67 ARG HG3 H 1.687 0.05 1 692 . 67 ARG CD C 43.140 0.10 1 693 . 67 ARG HD2 H 3.269 0.05 1 694 . 67 ARG HD3 H 3.269 0.05 1 695 . 67 ARG C C 176.051 0.10 1 696 . 68 GLY N N 112.966 0.10 1 697 . 68 GLY H H 9.116 0.05 1 698 . 68 GLY CA C 46.207 0.10 1 699 . 68 GLY HA2 H 4.176 0.05 1 700 . 68 GLY HA3 H 4.668 0.05 1 701 . 68 GLY C C 171.880 0.10 1 702 . 69 LEU N N 122.956 0.10 1 703 . 69 LEU H H 8.567 0.05 1 704 . 69 LEU CA C 53.116 0.10 1 705 . 69 LEU HA H 5.191 0.05 1 706 . 69 LEU CB C 45.504 0.10 1 707 . 69 LEU HB2 H 0.851 0.05 1 708 . 69 LEU HB3 H 1.531 0.05 1 709 . 69 LEU CG C 26.754 0.10 1 710 . 69 LEU HG H 1.542 0.05 1 711 . 69 LEU CD1 C 25.032 0.10 1 712 . 69 LEU HD1 H 0.837 0.05 1 713 . 69 LEU CD2 C 23.670 0.10 1 714 . 69 LEU HD2 H 0.742 0.05 1 715 . 69 LEU C C 174.815 0.10 1 716 . 70 LEU N N 124.263 0.10 1 717 . 70 LEU H H 9.048 0.05 1 718 . 70 LEU CA C 53.007 0.10 1 719 . 70 LEU HA H 5.096 0.05 1 720 . 70 LEU CB C 44.282 0.10 1 721 . 70 LEU HB2 H 1.152 0.05 1 722 . 70 LEU HB3 H 1.788 0.05 1 723 . 70 LEU CG C 27.575 0.10 1 724 . 70 LEU HG H 0.636 0.05 1 725 . 70 LEU CD1 C 22.889 0.10 1 726 . 70 LEU HD1 H 0.637 0.05 1 727 . 70 LEU CD2 C 25.291 0.10 1 728 . 70 LEU HD2 H 0.117 0.05 1 729 . 70 LEU C C 174.432 0.10 1 730 . 71 HIS N N 127.812 0.10 1 731 . 71 HIS H H 9.811 0.05 1 732 . 71 HIS CA C 54.727 0.10 1 733 . 71 HIS HA H 4.955 0.05 1 734 . 71 HIS CB C 31.725 0.10 1 735 . 71 HIS HB2 H 2.986 0.05 1 736 . 71 HIS HB3 H 2.986 0.05 1 737 . 71 HIS HD2 H 6.681 0.05 1 738 . 71 HIS C C 175.132 0.10 1 739 . 72 VAL N N 123.575 0.10 1 740 . 72 VAL H H 8.303 0.05 1 741 . 72 VAL CA C 61.571 0.10 1 742 . 72 VAL HA H 4.407 0.05 1 743 . 72 VAL CB C 33.798 0.10 1 744 . 72 VAL HB H 1.809 0.05 1 745 . 72 VAL CG2 C 19.950 0.10 1 746 . 72 VAL HG2 H 0.680 0.05 1 747 . 72 VAL CG1 C 22.844 0.10 1 748 . 72 VAL HG1 H 0.632 0.05 1 749 . 72 VAL C C 173.559 0.10 1 750 . 73 SER N N 121.590 0.10 1 751 . 73 SER H H 8.260 0.05 1 752 . 73 SER CA C 56.754 0.10 1 753 . 73 SER HA H 5.151 0.05 1 754 . 73 SER CB C 67.206 0.10 1 755 . 73 SER HB2 H 4.028 0.05 1 756 . 73 SER HB3 H 4.401 0.05 1 757 . 73 SER C C 172.990 0.10 1 758 . 74 GLY N N 104.915 0.10 1 759 . 74 GLY H H 9.118 0.05 1 760 . 74 GLY CA C 45.948 0.10 1 761 . 74 GLY HA2 H 3.558 0.05 1 762 . 74 GLY HA3 H 3.960 0.05 1 763 . 74 GLY C C 172.498 0.10 1 764 . 75 ASP N N 114.854 0.10 1 765 . 75 ASP H H 7.952 0.05 1 766 . 75 ASP CA C 54.089 0.10 1 767 . 75 ASP HA H 4.800 0.05 1 768 . 75 ASP CB C 42.036 0.10 1 769 . 75 ASP HB2 H 2.462 0.05 1 770 . 75 ASP HB3 H 2.714 0.05 1 771 . 75 ASP C C 176.801 0.10 1 772 . 76 GLY N N 108.340 0.10 1 773 . 76 GLY H H 7.472 0.05 1 774 . 76 GLY CA C 45.985 0.10 1 775 . 76 GLY HA2 H 4.001 0.05 1 776 . 76 GLY HA3 H 4.416 0.05 1 777 . 76 GLY C C 170.650 0.10 1 778 . 77 LEU N N 118.272 0.10 1 779 . 77 LEU H H 8.686 0.05 1 780 . 77 LEU CA C 52.584 0.10 1 781 . 77 LEU HA H 5.290 0.05 1 782 . 77 LEU CB C 43.025 0.10 1 783 . 77 LEU HB2 H 1.108 0.05 1 784 . 77 LEU HB3 H 1.554 0.05 1 785 . 77 LEU CG C 25.706 0.10 1 786 . 77 LEU HG H 1.429 0.05 1 787 . 77 LEU CD1 C 25.526 0.10 1 788 . 77 LEU HD1 H 0.254 0.05 1 789 . 77 LEU CD2 C 25.842 0.10 1 790 . 77 LEU HD2 H 0.776 0.05 1 791 . 77 LEU C C 175.393 0.10 1 792 . 78 ARG N N 121.571 0.10 1 793 . 78 ARG H H 8.525 0.05 1 794 . 78 ARG CA C 54.093 0.10 1 795 . 78 ARG HA H 5.291 0.05 1 796 . 78 ARG CB C 34.336 0.10 1 797 . 78 ARG HB2 H 1.649 0.05 1 798 . 78 ARG HB3 H 1.649 0.05 1 799 . 78 ARG CG C 28.502 0.10 1 800 . 78 ARG HG2 H 1.635 0.05 1 801 . 78 ARG HG3 H 1.635 0.05 1 802 . 78 ARG CD C 43.399 0.10 1 803 . 78 ARG HD2 H 2.954 0.05 1 804 . 78 ARG HD3 H 2.954 0.05 1 805 . 78 ARG C C 175.184 0.10 1 806 . 79 VAL N N 122.445 0.10 1 807 . 79 VAL H H 8.820 0.05 1 808 . 79 VAL CA C 60.357 0.10 1 809 . 79 VAL HA H 5.350 0.05 1 810 . 79 VAL CB C 33.153 0.10 1 811 . 79 VAL HB H 1.723 0.05 1 812 . 79 VAL CG2 C 21.975 0.10 1 813 . 79 VAL HG2 H 0.883 0.05 1 814 . 79 VAL CG1 C 20.229 0.10 1 815 . 79 VAL HG1 H 0.619 0.05 1 816 . 79 VAL C C 174.557 0.10 1 817 . 80 VAL N N 128.197 0.10 1 818 . 80 VAL H H 8.726 0.05 1 819 . 80 VAL CA C 59.822 0.10 1 820 . 80 VAL HA H 4.848 0.05 1 821 . 80 VAL CB C 34.765 0.10 1 822 . 80 VAL HB H 1.898 0.05 1 823 . 80 VAL CG2 C 20.692 0.10 1 824 . 80 VAL HG2 H 0.808 0.05 1 825 . 80 VAL CG1 C 20.692 0.10 1 826 . 80 VAL HG1 H 0.808 0.05 1 827 . 80 VAL C C 176.065 0.10 1 828 . 81 ASP N N 128.906 0.10 1 829 . 81 ASP H H 8.903 0.05 1 830 . 81 ASP CA C 54.547 0.10 1 831 . 81 ASP HA H 4.467 0.05 1 832 . 81 ASP CB C 42.974 0.10 1 833 . 81 ASP HB2 H 2.601 0.05 1 834 . 81 ASP HB3 H 2.973 0.05 1 835 . 81 ASP C C 176.896 0.10 1 836 . 82 ASP N N 127.478 0.10 1 837 . 82 ASP H H 9.122 0.05 1 838 . 82 ASP CA C 57.124 0.10 1 839 . 82 ASP HA H 4.485 0.05 1 840 . 82 ASP CB C 41.903 0.10 1 841 . 82 ASP HB2 H 2.570 0.05 1 842 . 82 ASP HB3 H 2.570 0.05 1 843 . 82 ASP C C 177.501 0.10 1 844 . 83 GLU N N 118.423 0.10 1 845 . 83 GLU H H 8.824 0.05 1 846 . 83 GLU CA C 58.821 0.10 1 847 . 83 GLU HA H 4.230 0.05 1 848 . 83 GLU CB C 30.157 0.10 1 849 . 83 GLU HB2 H 2.233 0.05 1 850 . 83 GLU HB3 H 2.233 0.05 1 851 . 83 GLU CG C 36.262 0.10 1 852 . 83 GLU HG2 H 2.412 0.05 1 853 . 83 GLU HG3 H 2.412 0.05 1 854 . 83 GLU C C 178.233 0.10 1 855 . 84 THR N N 107.451 0.10 1 856 . 84 THR H H 8.087 0.05 1 857 . 84 THR CA C 61.617 0.10 1 858 . 84 THR HA H 4.376 0.05 1 859 . 84 THR CB C 70.848 0.10 1 860 . 84 THR HB H 4.376 0.05 1 861 . 84 THR CG2 C 21.220 0.10 1 862 . 84 THR HG2 H 1.251 0.05 1 863 . 84 THR C C 176.048 0.10 1 864 . 85 LYS N N 116.705 0.10 1 865 . 85 LYS H H 8.078 0.05 1 866 . 85 LYS CA C 56.960 0.10 1 867 . 85 LYS HA H 4.088 0.05 1 868 . 85 LYS CB C 28.703 0.10 1 869 . 85 LYS HB2 H 1.982 0.05 1 870 . 85 LYS HB3 H 2.195 0.05 1 871 . 85 LYS CG C 24.784 0.10 1 872 . 85 LYS HG2 H 1.310 0.05 1 873 . 85 LYS HG3 H 1.413 0.05 1 874 . 85 LYS CD C 28.610 0.10 1 875 . 85 LYS HD2 H 1.702 0.05 1 876 . 85 LYS HD3 H 1.581 0.05 1 877 . 85 LYS CE C 42.573 0.10 1 878 . 85 LYS HE2 H 3.006 0.05 1 879 . 85 LYS HE3 H 3.006 0.05 1 880 . 85 LYS C C 175.794 0.10 1 881 . 86 GLY N N 107.550 0.10 1 882 . 86 GLY H H 8.382 0.05 1 883 . 86 GLY CA C 44.253 0.10 1 884 . 86 GLY HA2 H 3.555 0.05 1 885 . 86 GLY HA3 H 4.160 0.05 1 886 . 86 GLY C C 172.394 0.10 1 887 . 87 LEU N N 123.865 0.10 1 888 . 87 LEU H H 8.442 0.05 1 889 . 87 LEU CA C 54.815 0.10 1 890 . 87 LEU HA H 4.539 0.05 1 891 . 87 LEU CB C 41.736 0.10 1 892 . 87 LEU HB2 H 1.520 0.05 1 893 . 87 LEU HB3 H 1.672 0.05 1 894 . 87 LEU CG C 25.494 0.10 1 895 . 87 LEU HG H 1.489 0.05 1 896 . 87 LEU CD1 C 24.244 0.10 1 897 . 87 LEU HD1 H 0.856 0.05 1 898 . 87 LEU CD2 C 25.605 0.10 1 899 . 87 LEU HD2 H 0.836 0.05 1 900 . 87 LEU C C 176.721 0.10 1 901 . 88 ILE N N 125.252 0.10 1 902 . 88 ILE H H 8.800 0.05 1 903 . 88 ILE CA C 61.680 0.10 1 904 . 88 ILE HA H 4.270 0.05 1 905 . 88 ILE CB C 38.595 0.10 1 906 . 88 ILE HB H 1.754 0.05 1 907 . 88 ILE CG1 C 27.150 0.10 1 908 . 88 ILE HG12 H 1.305 0.05 1 909 . 88 ILE HG13 H 1.305 0.05 1 910 . 88 ILE CD1 C 12.534 0.10 1 911 . 88 ILE HD1 H 0.862 0.05 1 912 . 88 ILE CG2 C 18.119 0.10 1 913 . 88 ILE HG2 H 0.967 0.05 1 914 . 88 ILE C C 176.000 0.10 1 915 . 89 VAL N N 118.848 0.10 1 916 . 89 VAL H H 7.293 0.05 1 917 . 89 VAL CA C 61.786 0.10 1 918 . 89 VAL HA H 4.108 0.05 1 919 . 89 VAL CB C 36.365 0.10 1 920 . 89 VAL HB H 1.572 0.05 1 921 . 89 VAL CG2 C 20.759 0.10 1 922 . 89 VAL HG2 H 0.617 0.05 1 923 . 89 VAL CG1 C 20.957 0.10 1 924 . 89 VAL HG1 H 0.832 0.05 1 925 . 89 VAL C C 173.574 0.10 1 926 . 90 ASP N N 126.953 0.10 1 927 . 90 ASP H H 8.615 0.05 1 928 . 90 ASP CA C 53.435 0.10 1 929 . 90 ASP HA H 4.944 0.05 1 930 . 90 ASP CB C 41.736 0.10 1 931 . 90 ASP HB2 H 2.322 0.05 1 932 . 90 ASP HB3 H 2.829 0.05 1 933 . 90 ASP C C 173.817 0.10 1 934 . 91 GLN N N 125.085 0.10 1 935 . 91 GLN H H 8.793 0.05 1 936 . 91 GLN CA C 53.351 0.10 1 937 . 91 GLN HA H 4.594 0.05 1 938 . 91 GLN CB C 32.188 0.10 1 939 . 91 GLN HB2 H 2.044 0.05 1 940 . 91 GLN HB3 H 1.960 0.05 1 941 . 91 GLN CG C 34.007 0.10 1 942 . 91 GLN HG2 H 1.870 0.05 1 943 . 91 GLN HG3 H 1.870 0.05 1 944 . 91 GLN C C 174.954 0.10 1 945 . 92 THR N N 123.475 0.10 1 946 . 92 THR H H 8.727 0.05 1 947 . 92 THR CA C 62.088 0.10 1 948 . 92 THR HA H 4.556 0.05 1 949 . 92 THR CB C 68.722 0.10 1 950 . 92 THR HB H 4.415 0.05 1 951 . 92 THR CG2 C 21.940 0.10 1 952 . 92 THR HG2 H 1.359 0.05 1 953 . 92 THR C C 177.104 0.10 1 954 . 93 ILE N N 128.549 0.10 1 955 . 93 ILE H H 8.521 0.05 1 956 . 93 ILE CA C 61.574 0.10 1 957 . 93 ILE HA H 3.849 0.05 1 958 . 93 ILE CB C 36.516 0.10 1 959 . 93 ILE HB H 1.948 0.05 1 960 . 93 ILE CG1 C 28.469 0.10 1 961 . 93 ILE HG12 H 1.351 0.05 1 962 . 93 ILE HG13 H 1.527 0.05 1 963 . 93 ILE CD1 C 10.683 0.10 1 964 . 93 ILE HD1 H 0.772 0.05 1 965 . 93 ILE CG2 C 19.592 0.10 1 966 . 93 ILE HG2 H 1.096 0.05 1 967 . 93 ILE C C 177.591 0.10 1 968 . 94 GLU N N 118.795 0.10 1 969 . 94 GLU H H 9.236 0.05 1 970 . 94 GLU CA C 59.250 0.10 1 971 . 94 GLU HA H 3.905 0.05 1 972 . 94 GLU CB C 28.860 0.10 1 973 . 94 GLU HB2 H 2.473 0.05 1 974 . 94 GLU HB3 H 2.473 0.05 1 975 . 94 GLU CG C 37.250 0.10 1 976 . 94 GLU HG2 H 2.287 0.05 1 977 . 94 GLU HG3 H 2.287 0.05 1 978 . 94 GLU C C 175.095 0.10 1 979 . 95 LYS N N 113.735 0.10 1 980 . 95 LYS H H 6.881 0.05 1 981 . 95 LYS CA C 54.654 0.10 1 982 . 95 LYS HA H 4.730 0.05 1 983 . 95 LYS CB C 33.125 0.10 1 984 . 95 LYS HB2 H 1.587 0.05 1 985 . 95 LYS HB3 H 1.587 0.05 1 986 . 95 LYS CG C 24.982 0.10 1 987 . 95 LYS HG2 H 1.448 0.05 1 988 . 95 LYS HG3 H 1.448 0.05 1 989 . 95 LYS CD C 28.745 0.10 1 990 . 95 LYS HE2 H 3.253 0.05 1 991 . 95 LYS HE3 H 3.253 0.05 1 992 . 95 LYS C C 175.499 0.10 1 993 . 96 VAL N N 122.622 0.10 1 994 . 96 VAL H H 8.049 0.05 1 995 . 96 VAL CA C 62.092 0.10 1 996 . 96 VAL HA H 4.582 0.05 1 997 . 96 VAL CB C 32.438 0.10 1 998 . 96 VAL HB H 2.529 0.05 1 999 . 96 VAL CG2 C 22.705 0.10 1 1000 . 96 VAL HG2 H 0.909 0.05 1 1001 . 96 VAL CG1 C 22.788 0.10 1 1002 . 96 VAL HG1 H 1.220 0.05 1 1003 . 96 VAL C C 174.768 0.10 1 1004 . 97 SER N N 121.354 0.10 1 1005 . 97 SER H H 9.388 0.05 1 1006 . 97 SER CA C 59.911 0.10 1 1007 . 97 SER HA H 4.089 0.05 1 1008 . 97 SER CB C 62.643 0.10 1 1009 . 97 SER HB2 H 2.699 0.05 1 1010 . 97 SER HB3 H 3.922 0.05 1 1011 . 97 SER C C 177.384 0.10 1 1012 . 98 PHE N N 125.272 0.10 1 1013 . 98 PHE H H 7.831 0.05 1 1014 . 98 PHE CA C 57.223 0.10 1 1015 . 98 PHE HA H 5.779 0.05 1 1016 . 98 PHE CB C 44.899 0.10 1 1017 . 98 PHE HB2 H 2.580 0.05 1 1018 . 98 PHE HB3 H 3.520 0.05 1 1019 . 98 PHE HD1 H 7.174 0.05 1 1020 . 98 PHE HD2 H 7.174 0.05 1 1021 . 98 PHE C C 172.913 0.10 1 1022 . 99 CYS N N 122.492 0.10 1 1023 . 99 CYS H H 8.556 0.05 1 1024 . 99 CYS CA C 56.302 0.10 1 1025 . 99 CYS HA H 5.361 0.05 1 1026 . 99 CYS CB C 32.659 0.10 1 1027 . 99 CYS HB2 H 2.629 0.05 1 1028 . 99 CYS HB3 H 3.597 0.05 1 1029 . 99 CYS C C 169.749 0.10 1 1030 . 100 ALA N N 119.562 0.10 1 1031 . 100 ALA H H 8.564 0.05 1 1032 . 100 ALA CA C 51.201 0.10 1 1033 . 100 ALA HA H 4.802 0.05 1 1034 . 100 ALA CB C 21.960 0.10 1 1035 . 100 ALA HB H 1.559 0.05 1 1036 . 100 ALA C C 174.431 0.10 1 1037 . 102 ASP CA C 53.303 0.10 1 1038 . 102 ASP HA H 4.769 0.05 1 1039 . 102 ASP CB C 44.524 0.10 1 1040 . 102 ASP HB2 H 2.288 0.05 1 1041 . 102 ASP HB3 H 3.290 0.05 1 1042 . 102 ASP C C 177.171 0.10 1 1043 . 103 ARG N N 125.836 0.10 1 1044 . 103 ARG H H 9.021 0.05 1 1045 . 103 ARG CA C 58.251 0.10 1 1046 . 103 ARG HA H 4.100 0.05 1 1047 . 103 ARG CB C 30.249 0.10 1 1048 . 103 ARG HB2 H 1.826 0.05 1 1049 . 103 ARG HB3 H 1.826 0.05 1 1050 . 103 ARG CG C 26.761 0.10 1 1051 . 103 ARG HG2 H 1.759 0.05 1 1052 . 103 ARG HG3 H 1.759 0.05 1 1053 . 103 ARG CD C 43.327 0.10 1 1054 . 103 ARG HD2 H 3.128 0.05 1 1055 . 103 ARG HD3 H 3.260 0.05 1 1056 . 103 ARG C C 176.885 0.10 1 1057 . 104 ASN N N 115.061 0.10 1 1058 . 104 ASN H H 8.698 0.05 1 1059 . 104 ASN CA C 53.522 0.10 1 1060 . 104 ASN HA H 4.712 0.05 1 1061 . 104 ASN CB C 39.515 0.10 1 1062 . 104 ASN HB2 H 2.673 0.05 1 1063 . 104 ASN HB3 H 2.808 0.05 1 1064 . 104 ASN ND2 N 115.823 0.10 1 1065 . 104 ASN HD21 H 8.139 0.05 1 1066 . 104 ASN HD22 H 7.101 0.05 1 1067 . 104 ASN C C 174.665 0.10 1 1068 . 105 HIS N N 120.772 0.10 1 1069 . 105 HIS H H 7.759 0.05 1 1070 . 105 HIS CA C 56.672 0.10 1 1071 . 105 HIS HA H 4.551 0.05 1 1072 . 105 HIS CB C 32.126 0.10 1 1073 . 105 HIS HB2 H 2.743 0.05 1 1074 . 105 HIS HB3 H 2.743 0.05 1 1075 . 105 HIS HD2 H 7.018 0.05 1 1076 . 105 HIS C C 175.667 0.10 1 1077 . 106 GLU N N 128.191 0.10 1 1078 . 106 GLU H H 9.117 0.05 1 1079 . 106 GLU CA C 59.278 0.10 1 1080 . 106 GLU HA H 4.421 0.05 1 1081 . 106 GLU CB C 29.757 0.10 1 1082 . 106 GLU HB2 H 2.199 0.05 1 1083 . 106 GLU HB3 H 2.199 0.05 1 1084 . 106 GLU CG C 35.930 0.10 1 1085 . 106 GLU HG2 H 2.374 0.05 1 1086 . 106 GLU HG3 H 2.374 0.05 1 1087 . 106 GLU C C 177.313 0.10 1 1088 . 107 ARG N N 118.863 0.10 1 1089 . 107 ARG H H 9.940 0.05 1 1090 . 107 ARG CA C 55.610 0.10 1 1091 . 107 ARG HA H 4.721 0.05 1 1092 . 107 ARG CB C 29.791 0.10 1 1093 . 107 ARG HB2 H 1.841 0.05 1 1094 . 107 ARG HB3 H 1.841 0.05 1 1095 . 107 ARG CG C 28.281 0.10 1 1096 . 107 ARG HG2 H 1.787 0.05 1 1097 . 107 ARG HG3 H 1.787 0.05 1 1098 . 107 ARG CD C 42.895 0.10 1 1099 . 107 ARG HD2 H 3.189 0.05 1 1100 . 107 ARG HD3 H 3.189 0.05 1 1101 . 107 ARG C C 176.300 0.10 1 1102 . 108 GLY N N 107.274 0.10 1 1103 . 108 GLY H H 8.441 0.05 1 1104 . 108 GLY CA C 45.941 0.10 1 1105 . 108 GLY HA2 H 3.580 0.05 1 1106 . 108 GLY HA3 H 4.868 0.05 1 1107 . 108 GLY C C 172.731 0.10 1 1108 . 109 PHE N N 123.929 0.10 1 1109 . 109 PHE H H 8.788 0.05 1 1110 . 109 PHE CA C 57.280 0.10 1 1111 . 109 PHE HA H 5.103 0.05 1 1112 . 109 PHE CB C 43.814 0.10 1 1113 . 109 PHE HB2 H 2.385 0.05 1 1114 . 109 PHE HB3 H 3.405 0.05 1 1115 . 109 PHE HD1 H 6.779 0.05 1 1116 . 109 PHE HE1 H 6.626 0.05 1 1117 . 109 PHE HE2 H 6.626 0.05 1 1118 . 109 PHE HD2 H 6.779 0.05 1 1119 . 109 PHE C C 171.507 0.10 1 1120 . 110 SER N N 120.387 0.10 1 1121 . 110 SER H H 7.687 0.05 1 1122 . 110 SER CA C 57.497 0.10 1 1123 . 110 SER HA H 5.337 0.05 1 1124 . 110 SER CB C 67.348 0.10 1 1125 . 110 SER HB2 H 3.579 0.05 1 1126 . 110 SER HB3 H 3.663 0.05 1 1127 . 110 SER C C 171.516 0.10 1 1128 . 111 TYR N N 112.119 0.10 1 1129 . 111 TYR H H 8.145 0.05 1 1130 . 111 TYR CA C 55.978 0.10 1 1131 . 111 TYR HA H 5.410 0.05 1 1132 . 111 TYR CB C 42.105 0.10 1 1133 . 111 TYR HB2 H 2.625 0.05 1 1134 . 111 TYR HB3 H 3.454 0.05 1 1135 . 111 TYR HD1 H 6.884 0.05 1 1136 . 111 TYR HE1 H 6.638 0.05 1 1137 . 111 TYR HE2 H 6.638 0.05 1 1138 . 111 TYR HD2 H 6.884 0.05 1 1139 . 111 TYR C C 172.311 0.10 1 1140 . 112 ILE N N 120.896 0.10 1 1141 . 112 ILE H H 9.157 0.05 1 1142 . 112 ILE CA C 59.998 0.10 1 1143 . 112 ILE HA H 5.382 0.05 1 1144 . 112 ILE CB C 40.740 0.10 1 1145 . 112 ILE HB H 1.600 0.05 1 1146 . 112 ILE CG1 C 28.308 0.10 1 1147 . 112 ILE HG12 H 1.633 0.05 1 1148 . 112 ILE HG13 H 1.702 0.05 1 1149 . 112 ILE CD1 C 13.669 0.10 1 1150 . 112 ILE HD1 H 0.572 0.05 1 1151 . 112 ILE CG2 C 18.307 0.10 1 1152 . 112 ILE HG2 H 0.936 0.05 1 1153 . 112 ILE C C 175.105 0.10 1 1154 . 113 CYS N N 122.230 0.10 1 1155 . 113 CYS H H 9.854 0.05 1 1156 . 113 CYS CA C 53.917 0.10 1 1157 . 113 CYS HA H 6.189 0.05 1 1158 . 113 CYS CB C 33.365 0.10 1 1159 . 113 CYS HB2 H 3.291 0.05 1 1160 . 113 CYS HB3 H 2.943 0.05 1 1161 . 113 CYS C C 172.435 0.10 1 1162 . 114 ARG N N 120.970 0.10 1 1163 . 114 ARG H H 8.674 0.05 1 1164 . 114 ARG CA C 53.999 0.10 1 1165 . 114 ARG HA H 4.606 0.05 1 1166 . 114 ARG CB C 31.165 0.10 1 1167 . 114 ARG HB2 H 1.639 0.05 1 1168 . 114 ARG HB3 H 1.639 0.05 1 1169 . 114 ARG CG C 25.801 0.10 1 1170 . 114 ARG HG2 H 1.921 0.05 1 1171 . 114 ARG HG3 H 1.921 0.05 1 1172 . 114 ARG CD C 41.904 0.10 1 1173 . 114 ARG C C 175.282 0.10 1 1174 . 115 ASP N N 128.692 0.10 1 1175 . 115 ASP H H 8.793 0.05 1 1176 . 115 ASP CA C 54.412 0.10 1 1177 . 115 ASP HA H 4.723 0.05 1 1178 . 115 ASP CB C 43.103 0.10 1 1179 . 115 ASP HB2 H 2.583 0.05 1 1180 . 115 ASP HB3 H 2.809 0.05 1 1181 . 115 ASP C C 177.276 0.10 1 1182 . 116 GLY N N 114.150 0.10 1 1183 . 116 GLY H H 8.708 0.05 1 1184 . 116 GLY CA C 46.935 0.10 1 1185 . 116 GLY HA2 H 3.716 0.05 1 1186 . 116 GLY HA3 H 3.851 0.05 1 1187 . 116 GLY C C 174.856 0.10 1 1188 . 117 THR N N 115.270 0.10 1 1189 . 117 THR H H 8.310 0.05 1 1190 . 117 THR CA C 64.491 0.10 1 1191 . 117 THR HA H 4.214 0.05 1 1192 . 117 THR CB C 68.687 0.10 1 1193 . 117 THR HB H 4.326 0.05 1 1194 . 117 THR CG2 C 21.673 0.10 1 1195 . 117 THR HG2 H 1.228 0.05 1 1196 . 117 THR C C 175.759 0.10 1 1197 . 118 THR N N 110.633 0.10 1 1198 . 118 THR H H 8.082 0.05 1 1199 . 118 THR CA C 61.811 0.10 1 1200 . 118 THR HA H 4.310 0.05 1 1201 . 118 THR CB C 70.917 0.10 1 1202 . 118 THR HB H 4.266 0.05 1 1203 . 118 THR CG2 C 21.278 0.10 1 1204 . 118 THR HG2 H 1.209 0.05 1 1205 . 118 THR C C 174.796 0.10 1 1206 . 119 ARG N N 115.848 0.10 1 1207 . 119 ARG H H 7.793 0.05 1 1208 . 119 ARG CA C 56.890 0.10 1 1209 . 119 ARG HA H 3.841 0.05 1 1210 . 119 ARG CB C 27.032 0.10 1 1211 . 119 ARG HB2 H 1.844 0.05 1 1212 . 119 ARG HB3 H 1.844 0.05 1 1213 . 119 ARG CG C 27.277 0.10 1 1214 . 119 ARG HG2 H 1.420 0.05 1 1215 . 119 ARG HG3 H 1.226 0.05 1 1216 . 119 ARG CD C 42.836 0.10 1 1217 . 119 ARG HD2 H 2.923 0.05 1 1218 . 119 ARG HD3 H 2.923 0.05 1 1219 . 119 ARG C C 174.596 0.10 1 1220 . 120 ARG N N 118.856 0.10 1 1221 . 120 ARG H H 7.398 0.05 1 1222 . 120 ARG CA C 54.980 0.10 1 1223 . 120 ARG HA H 4.284 0.05 1 1224 . 120 ARG CB C 32.463 0.10 1 1225 . 120 ARG HB2 H 1.451 0.05 1 1226 . 120 ARG HB3 H 1.451 0.05 1 1227 . 120 ARG CG C 27.365 0.10 1 1228 . 120 ARG HG2 H 1.624 0.05 1 1229 . 120 ARG HG3 H 1.809 0.05 1 1230 . 120 ARG CD C 43.463 0.10 1 1231 . 120 ARG HD2 H 2.966 0.05 1 1232 . 120 ARG HD3 H 3.164 0.05 1 1233 . 120 ARG C C 175.689 0.10 1 1234 . 121 TRP N N 123.329 0.10 1 1235 . 121 TRP H H 8.583 0.05 1 1236 . 121 TRP CA C 55.686 0.10 1 1237 . 121 TRP HA H 5.373 0.05 1 1238 . 121 TRP CB C 29.479 0.10 1 1239 . 121 TRP HB2 H 3.235 0.05 1 1240 . 121 TRP HB3 H 2.670 0.05 1 1241 . 121 TRP HD1 H 6.896 0.05 1 1242 . 121 TRP HE3 H 6.893 0.05 1 1243 . 121 TRP C C 175.492 0.10 1 1244 . 122 MET N N 120.150 0.10 1 1245 . 122 MET H H 9.259 0.05 1 1246 . 122 MET CA C 51.970 0.10 1 1247 . 122 MET HA H 5.280 0.05 1 1248 . 122 MET CB C 34.407 0.10 1 1249 . 122 MET HB2 H 2.465 0.05 1 1250 . 122 MET HB3 H 2.199 0.05 1 1251 . 122 MET CG C 31.879 0.10 1 1252 . 122 MET HG2 H 2.754 0.05 1 1253 . 122 MET HG3 H 2.280 0.05 1 1254 . 122 MET CE C 16.905 0.10 1 1255 . 122 MET HE H 1.817 0.05 1 1256 . 122 MET C C 174.326 0.10 1 1257 . 123 CYS N N 123.960 0.10 1 1258 . 123 CYS H H 9.265 0.05 1 1259 . 123 CYS CA C 56.337 0.10 1 1260 . 123 CYS HA H 5.542 0.05 1 1261 . 123 CYS CB C 29.109 0.10 1 1262 . 123 CYS HB2 H 2.418 0.05 1 1263 . 123 CYS HB3 H 2.506 0.05 1 1264 . 123 CYS C C 173.763 0.10 1 1265 . 124 HIS N N 129.696 0.10 1 1266 . 124 HIS H H 8.786 0.05 1 1267 . 124 HIS CA C 54.879 0.10 1 1268 . 124 HIS HA H 4.629 0.05 1 1269 . 124 HIS CB C 33.022 0.10 1 1270 . 124 HIS HB2 H 1.805 0.05 1 1271 . 124 HIS HB3 H 2.607 0.05 1 1272 . 124 HIS HD2 H 6.779 0.05 1 1273 . 124 HIS C C 174.360 0.10 1 1274 . 125 GLY N N 106.134 0.10 1 1275 . 125 GLY H H 7.989 0.05 1 1276 . 125 GLY CA C 44.523 0.10 1 1277 . 125 GLY HA2 H 3.116 0.05 1 1278 . 125 GLY HA3 H 4.886 0.05 1 1279 . 125 GLY C C 171.200 0.10 1 1280 . 126 PHE N N 118.020 0.10 1 1281 . 126 PHE H H 9.136 0.05 1 1282 . 126 PHE CA C 56.635 0.10 1 1283 . 126 PHE HA H 5.435 0.05 1 1284 . 126 PHE CB C 43.863 0.10 1 1285 . 126 PHE HB2 H 2.859 0.05 1 1286 . 126 PHE HB3 H 3.166 0.05 1 1287 . 126 PHE HD1 H 7.305 0.05 1 1288 . 126 PHE HD2 H 7.305 0.05 1 1289 . 126 PHE C C 174.640 0.10 1 1290 . 127 LEU N N 119.407 0.10 1 1291 . 127 LEU H H 8.870 0.05 1 1292 . 127 LEU CA C 53.475 0.10 1 1293 . 127 LEU HA H 4.928 0.05 1 1294 . 127 LEU CB C 43.923 0.10 1 1295 . 127 LEU HB2 H 1.324 0.05 1 1296 . 127 LEU HB3 H 1.579 0.05 1 1297 . 127 LEU CG C 22.699 0.10 1 1298 . 127 LEU HG H 1.520 0.05 1 1299 . 127 LEU CD1 C 25.382 0.10 1 1300 . 127 LEU HD1 H 0.777 0.05 1 1301 . 127 LEU CD2 C 22.699 0.10 1 1302 . 127 LEU HD2 H 0.518 0.05 1 1303 . 127 LEU C C 176.512 0.10 1 1304 . 128 ALA N N 129.243 0.10 1 1305 . 128 ALA H H 9.686 0.05 1 1306 . 128 ALA CA C 52.938 0.10 1 1307 . 128 ALA HA H 4.579 0.05 1 1308 . 128 ALA CB C 18.803 0.10 1 1309 . 128 ALA HB H 1.600 0.05 1 1310 . 128 ALA C C 177.609 0.10 1 1311 . 129 CYS N N 120.081 0.10 1 1312 . 129 CYS H H 8.258 0.05 1 1313 . 129 CYS CA C 61.879 0.10 1 1314 . 129 CYS HA H 4.234 0.05 1 1315 . 129 CYS CB C 28.124 0.10 1 1316 . 129 CYS HB2 H 2.630 0.05 1 1317 . 129 CYS HB3 H 3.185 0.05 1 1318 . 129 CYS C C 175.880 0.10 1 1319 . 130 LYS N N 116.618 0.10 1 1320 . 130 LYS H H 9.363 0.05 1 1321 . 130 LYS CA C 55.792 0.10 1 1322 . 130 LYS HA H 4.568 0.05 1 1323 . 130 LYS CB C 34.725 0.10 1 1324 . 130 LYS HB2 H 1.896 0.05 1 1325 . 130 LYS HB3 H 1.896 0.05 1 1326 . 130 LYS CG C 24.270 0.10 1 1327 . 130 LYS HG2 H 1.372 0.05 1 1328 . 130 LYS HG3 H 1.724 0.05 1 1329 . 130 LYS CD C 29.077 0.10 1 1330 . 130 LYS HD2 H 1.740 0.05 1 1331 . 130 LYS HD3 H 1.740 0.05 1 1332 . 130 LYS CE C 42.011 0.10 1 1333 . 130 LYS HE2 H 3.039 0.05 1 1334 . 130 LYS HE3 H 3.039 0.05 1 1335 . 130 LYS C C 174.288 0.10 1 1336 . 131 ASP N N 118.582 0.10 1 1337 . 131 ASP H H 7.043 0.05 1 1338 . 131 ASP CA C 53.207 0.10 1 1339 . 131 ASP HA H 5.020 0.05 1 1340 . 131 ASP CB C 46.244 0.10 1 1341 . 131 ASP HB2 H 2.078 0.05 1 1342 . 131 ASP HB3 H 2.400 0.05 1 1343 . 131 ASP C C 172.764 0.10 1 1344 . 132 SER N N 111.711 0.10 1 1345 . 132 SER H H 8.299 0.05 1 1346 . 132 SER CA C 56.726 0.10 1 1347 . 132 SER HA H 4.589 0.05 1 1348 . 132 SER CB C 64.862 0.10 1 1349 . 132 SER HB2 H 4.048 0.05 1 1350 . 132 SER HB3 H 4.444 0.05 1 1351 . 132 SER C C 176.080 0.10 1 1352 . 133 GLY N N 110.349 0.10 1 1353 . 133 GLY H H 9.443 0.05 1 1354 . 133 GLY CA C 47.100 0.10 1 1355 . 133 GLY HA2 H 3.546 0.05 1 1356 . 133 GLY HA3 H 4.323 0.05 1 1357 . 133 GLY C C 176.810 0.10 1 1358 . 134 GLU N N 121.139 0.10 1 1359 . 134 GLU H H 8.616 0.05 1 1360 . 134 GLU CA C 59.407 0.10 1 1361 . 134 GLU HA H 4.028 0.05 1 1362 . 134 GLU CB C 29.584 0.10 1 1363 . 134 GLU HB2 H 2.230 0.05 1 1364 . 134 GLU HB3 H 2.230 0.05 1 1365 . 134 GLU CG C 36.360 0.10 1 1366 . 134 GLU HG2 H 2.493 0.05 1 1367 . 134 GLU HG3 H 2.493 0.05 1 1368 . 134 GLU C C 177.843 0.10 1 1369 . 135 ARG N N 122.605 0.10 1 1370 . 135 ARG H H 7.708 0.05 1 1371 . 135 ARG CA C 59.566 0.10 1 1372 . 135 ARG HA H 2.885 0.05 1 1373 . 135 ARG CB C 29.257 0.10 1 1374 . 135 ARG HB2 H 1.391 0.05 1 1375 . 135 ARG HB3 H 1.391 0.05 1 1376 . 135 ARG CG C 29.284 0.10 1 1377 . 135 ARG HG2 H 0.985 0.05 1 1378 . 135 ARG HG3 H 0.985 0.05 1 1379 . 135 ARG CD C 44.100 0.10 1 1380 . 135 ARG C C 178.686 0.10 1 1381 . 136 LEU N N 122.853 0.10 1 1382 . 136 LEU H H 6.532 0.05 1 1383 . 136 LEU CA C 59.467 0.10 1 1384 . 136 LEU HA H 2.690 0.05 1 1385 . 136 LEU CB C 39.703 0.10 1 1386 . 136 LEU HB2 H 0.576 0.05 1 1387 . 136 LEU HB3 H -0.191 0.05 1 1388 . 136 LEU CG C 31.512 0.10 1 1389 . 136 LEU HG H 0.235 0.05 1 1390 . 136 LEU CD1 C 23.728 0.10 1 1391 . 136 LEU HD1 H -0.136 0.05 1 1392 . 136 LEU CD2 C 25.536 0.10 1 1393 . 136 LEU HD2 H 0.088 0.05 1 1394 . 136 LEU C C 176.681 0.10 1 1395 . 137 SER N N 111.666 0.10 1 1396 . 137 SER H H 7.832 0.05 1 1397 . 137 SER CA C 60.967 0.10 1 1398 . 137 SER HA H 4.140 0.05 1 1399 . 137 SER CB C 63.105 0.10 1 1400 . 137 SER HB2 H 3.217 0.05 1 1401 . 137 SER HB3 H 3.217 0.05 1 1402 . 137 SER C C 175.786 0.10 1 1403 . 138 HIS N N 117.151 0.10 1 1404 . 138 HIS H H 8.084 0.05 1 1405 . 138 HIS CA C 59.499 0.10 1 1406 . 138 HIS HA H 3.871 0.05 1 1407 . 138 HIS CB C 27.205 0.10 1 1408 . 138 HIS HB2 H 2.734 0.05 1 1409 . 138 HIS HB3 H 3.271 0.05 1 1410 . 138 HIS HD2 H 7.333 0.05 1 1411 . 138 HIS C C 176.341 0.10 1 1412 . 139 ALA N N 123.020 0.10 1 1413 . 139 ALA H H 7.378 0.05 1 1414 . 139 ALA CA C 55.682 0.10 1 1415 . 139 ALA HA H 3.581 0.05 1 1416 . 139 ALA CB C 17.357 0.10 1 1417 . 139 ALA HB H 1.464 0.05 1 1418 . 139 ALA C C 178.277 0.10 1 1419 . 140 VAL N N 119.411 0.10 1 1420 . 140 VAL H H 7.787 0.05 1 1421 . 140 VAL CA C 66.299 0.10 1 1422 . 140 VAL HA H 3.030 0.05 1 1423 . 140 VAL CB C 30.060 0.10 1 1424 . 140 VAL HB H 2.142 0.05 1 1425 . 140 VAL CG2 C 23.623 0.10 1 1426 . 140 VAL HG2 H 0.693 0.05 1 1427 . 140 VAL CG1 C 23.616 0.10 1 1428 . 140 VAL HG1 H 0.297 0.05 1 1429 . 140 VAL C C 176.656 0.10 1 1430 . 141 GLY N N 107.797 0.10 1 1431 . 141 GLY H H 8.262 0.05 1 1432 . 141 GLY CA C 46.048 0.10 1 1433 . 141 GLY HA2 H 2.875 0.05 1 1434 . 141 GLY HA3 H 2.875 0.05 1 1435 . 141 GLY C C 177.266 0.10 1 1436 . 142 CYS N N 121.429 0.10 1 1437 . 142 CYS H H 7.472 0.05 1 1438 . 142 CYS CA C 62.518 0.10 1 1439 . 142 CYS HA H 4.031 0.05 1 1440 . 142 CYS CB C 25.709 0.10 1 1441 . 142 CYS HB2 H 3.061 0.05 1 1442 . 142 CYS HB3 H 3.061 0.05 1 1443 . 142 CYS C C 176.058 0.10 1 1444 . 143 ALA N N 125.485 0.10 1 1445 . 143 ALA H H 7.584 0.05 1 1446 . 143 ALA CA C 55.672 0.10 1 1447 . 143 ALA HA H 3.598 0.05 1 1448 . 143 ALA CB C 17.247 0.10 1 1449 . 143 ALA HB H 1.252 0.05 1 1450 . 143 ALA C C 179.389 0.10 1 1451 . 144 PHE N N 116.351 0.10 1 1452 . 144 PHE H H 8.064 0.05 1 1453 . 144 PHE CA C 56.933 0.10 1 1454 . 144 PHE HA H 4.279 0.05 1 1455 . 144 PHE CB C 36.938 0.10 1 1456 . 144 PHE HB2 H 3.600 0.05 1 1457 . 144 PHE HB3 H 3.600 0.05 1 1458 . 144 PHE HD1 H 7.107 0.05 1 1459 . 144 PHE HE1 H 7.254 0.05 1 1460 . 144 PHE HE2 H 7.254 0.05 1 1461 . 144 PHE HD2 H 7.107 0.05 1 1462 . 144 PHE C C 178.584 0.10 1 1463 . 145 ALA N N 123.061 0.10 1 1464 . 145 ALA H H 7.502 0.05 1 1465 . 145 ALA CA C 55.181 0.10 1 1466 . 145 ALA HA H 4.217 0.05 1 1467 . 145 ALA CB C 17.798 0.10 1 1468 . 145 ALA HB H 1.592 0.05 1 1469 . 145 ALA C C 180.447 0.10 1 1470 . 146 VAL N N 121.376 0.10 1 1471 . 146 VAL H H 8.487 0.05 1 1472 . 146 VAL CA C 65.962 0.10 1 1473 . 146 VAL HA H 3.642 0.05 1 1474 . 146 VAL CB C 31.181 0.10 1 1475 . 146 VAL HB H 2.112 0.05 1 1476 . 146 VAL CG2 C 23.403 0.10 1 1477 . 146 VAL HG2 H 1.013 0.05 1 1478 . 146 VAL CG1 C 21.724 0.10 1 1479 . 146 VAL HG1 H 1.006 0.05 1 1480 . 146 VAL C C 177.588 0.10 1 1481 . 147 CYS N N 120.780 0.10 1 1482 . 147 CYS H H 8.406 0.05 1 1483 . 147 CYS CA C 63.102 0.10 1 1484 . 147 CYS HA H 4.048 0.05 1 1485 . 147 CYS CB C 26.849 0.10 1 1486 . 147 CYS HB2 H 3.180 0.05 1 1487 . 147 CYS HB3 H 3.180 0.05 1 1488 . 147 CYS C C 177.374 0.10 1 1489 . 148 LEU N N 120.528 0.10 1 1490 . 148 LEU H H 8.017 0.05 1 1491 . 148 LEU CA C 58.019 0.10 1 1492 . 148 LEU HA H 4.042 0.05 1 1493 . 148 LEU CB C 42.063 0.10 1 1494 . 148 LEU HB2 H 1.549 0.05 1 1495 . 148 LEU HB3 H 1.345 0.05 1 1496 . 148 LEU CG C 25.884 0.10 1 1497 . 148 LEU HG H 1.420 0.05 1 1498 . 148 LEU CD1 C 25.884 0.10 1 1499 . 148 LEU HD1 H 0.870 0.05 1 1500 . 148 LEU CD2 C 23.497 0.10 1 1501 . 148 LEU HD2 H 0.870 0.05 1 1502 . 148 LEU C C 178.224 0.10 1 1503 . 149 GLU N N 119.766 0.10 1 1504 . 149 GLU H H 8.163 0.05 1 1505 . 149 GLU CA C 59.211 0.10 1 1506 . 149 GLU HA H 4.025 0.05 1 1507 . 149 GLU CB C 29.315 0.10 1 1508 . 149 GLU HB2 H 2.133 0.05 1 1509 . 149 GLU HB3 H 2.334 0.05 1 1510 . 149 GLU CG C 35.994 0.10 1 1511 . 149 GLU HG2 H 2.507 0.05 1 1512 . 149 GLU HG3 H 2.507 0.05 1 1513 . 149 GLU C C 179.455 0.10 1 1514 . 150 ARG N N 118.403 0.10 1 1515 . 150 ARG H H 8.097 0.05 1 1516 . 150 ARG CA C 59.229 0.10 1 1517 . 150 ARG HA H 4.072 0.05 1 1518 . 150 ARG CB C 30.107 0.10 1 1519 . 150 ARG HB2 H 2.004 0.05 1 1520 . 150 ARG HB3 H 2.004 0.05 1 1521 . 150 ARG CG C 27.566 0.10 1 1522 . 150 ARG HG2 H 3.124 0.05 1 1523 . 150 ARG HG3 H 3.124 0.05 1 1524 . 150 ARG CD C 43.965 0.10 1 1525 . 150 ARG C C 178.716 0.10 1 1526 . 151 LYS N N 120.951 0.10 1 1527 . 151 LYS H H 8.086 0.05 1 1528 . 151 LYS CA C 58.915 0.10 1 1529 . 151 LYS HA H 4.099 0.05 1 1530 . 151 LYS CB C 32.482 0.10 1 1531 . 151 LYS HB2 H 2.067 0.05 1 1532 . 151 LYS HB3 H 1.810 0.05 1 1533 . 151 LYS CG C 25.130 0.10 1 1534 . 151 LYS HG2 H 1.679 0.05 1 1535 . 151 LYS HG3 H 1.679 0.05 1 1536 . 151 LYS CD C 29.665 0.10 1 1537 . 151 LYS HD2 H 1.494 0.05 1 1538 . 151 LYS HD3 H 1.494 0.05 1 1539 . 151 LYS CE C 42.386 0.10 1 1540 . 151 LYS HE2 H 2.994 0.05 1 1541 . 151 LYS HE3 H 2.994 0.05 1 1542 . 151 LYS C C 178.826 0.10 1 1543 . 152 GLN N N 118.563 0.10 1 1544 . 152 GLN H H 8.347 0.05 1 1545 . 152 GLN CA C 57.475 0.10 1 1546 . 152 GLN HA H 4.157 0.05 1 1547 . 152 GLN CB C 28.374 0.10 1 1548 . 152 GLN HB2 H 2.114 0.05 1 1549 . 152 GLN HB3 H 2.114 0.05 1 1550 . 152 GLN CG C 34.021 0.10 1 1551 . 152 GLN HG2 H 2.586 0.05 1 1552 . 152 GLN HG3 H 2.420 0.05 1 1553 . 152 GLN NE2 N 111.099 0.10 1 1554 . 152 GLN HE21 H 7.427 0.05 1 1555 . 152 GLN HE22 H 6.839 0.05 1 1556 . 152 GLN C C 177.458 0.10 1 1557 . 153 ARG N N 119.193 0.10 1 1558 . 153 ARG H H 7.899 0.05 1 1559 . 153 ARG CA C 57.292 0.10 1 1560 . 153 ARG HA H 4.217 0.05 1 1561 . 153 ARG CB C 30.117 0.10 1 1562 . 153 ARG HB2 H 1.939 0.05 1 1563 . 153 ARG HB3 H 1.939 0.05 1 1564 . 153 ARG CG C 30.196 0.10 1 1565 . 153 ARG HG2 H 1.724 0.05 1 1566 . 153 ARG HG3 H 1.810 0.05 1 1567 . 153 ARG CD C 43.421 0.10 1 1568 . 153 ARG HD2 H 3.230 0.05 1 1569 . 153 ARG HD3 H 3.230 0.05 1 1570 . 153 ARG C C 177.188 0.10 1 1571 . 154 ARG N N 120.000 0.10 1 1572 . 154 ARG H H 7.939 0.05 1 1573 . 154 ARG CA C 57.181 0.10 1 1574 . 154 ARG HA H 4.335 0.05 1 1575 . 154 ARG CB C 30.497 0.10 1 1576 . 154 ARG HB2 H 1.929 0.05 1 1577 . 154 ARG HB3 H 1.929 0.05 1 1578 . 154 ARG CG C 27.218 0.10 1 1579 . 154 ARG HG2 H 1.729 0.05 1 1580 . 154 ARG HG3 H 1.729 0.05 1 1581 . 154 ARG CD C 43.427 0.10 1 1582 . 154 ARG HD2 H 3.231 0.05 1 1583 . 154 ARG HD3 H 3.231 0.05 1 1584 . 154 ARG C C 177.076 0.10 1 1585 . 155 THR N N 114.414 0.10 1 1586 . 155 THR H H 8.014 0.05 1 1587 . 155 THR CA C 62.488 0.10 1 1588 . 155 THR HA H 4.273 0.05 1 1589 . 155 THR CB C 69.537 0.10 1 1590 . 155 THR CG2 C 21.556 0.10 1 1591 . 155 THR HG2 H 1.409 0.05 1 1592 . 155 THR C C 174.675 0.10 1 1593 . 156 ARG N N 123.215 0.10 1 1594 . 156 ARG H H 8.111 0.05 1 1595 . 156 ARG CA C 56.332 0.10 1 1596 . 156 ARG HA H 4.312 0.05 1 1597 . 156 ARG CB C 30.579 0.10 1 1598 . 156 ARG HB2 H 1.858 0.05 1 1599 . 156 ARG HB3 H 1.858 0.05 1 1600 . 156 ARG CG C 26.959 0.10 1 1601 . 156 ARG HG2 H 1.679 0.05 1 1602 . 156 ARG HG3 H 1.679 0.05 1 1603 . 156 ARG CD C 43.331 0.10 1 1604 . 156 ARG HD2 H 3.210 0.05 1 1605 . 156 ARG HD3 H 3.210 0.05 1 1606 . 156 ARG C C 176.008 0.10 1 1607 . 157 ALA N N 125.162 0.10 1 1608 . 157 ALA H H 8.189 0.05 1 1609 . 157 ALA CA C 52.477 0.10 1 1610 . 157 ALA HA H 4.301 0.05 1 1611 . 157 ALA CB C 18.983 0.10 1 1612 . 157 ALA HB H 1.409 0.05 1 1613 . 157 ALA C C 177.289 0.10 1 1614 . 158 ALA N N 123.314 0.10 1 1615 . 158 ALA H H 8.126 0.05 1 1616 . 158 ALA CA C 52.228 0.10 1 1617 . 158 ALA HA H 4.308 0.05 1 1618 . 158 ALA CB C 19.166 0.10 1 1619 . 158 ALA HB H 1.419 0.05 1 1620 . 158 ALA C C 177.111 0.10 1 1621 . 159 ALA N N 123.934 0.10 1 1622 . 159 ALA H H 8.174 0.05 1 1623 . 159 ALA CA C 52.308 0.10 1 1624 . 159 ALA HA H 4.368 0.05 1 1625 . 159 ALA CB C 19.233 0.10 1 1626 . 159 ALA HB H 1.420 0.05 1 1627 . 159 ALA C C 176.643 0.10 1 1628 . 160 SER N N 120.896 0.10 1 1629 . 160 SER H H 7.847 0.05 1 1630 . 160 SER CA C 59.637 0.10 1 1631 . 160 SER CB C 64.706 0.10 1 1632 . 161 GLY N N 112.643 0.10 1 1633 . 161 GLY H H 8.105 0.05 1 1634 . 161 GLY CA C 44.430 0.10 1 1635 . 161 GLY HA2 H 4.013 0.05 1 1636 . 161 GLY HA3 H 3.882 0.05 1 1637 . 162 PHE N N 116.836 0.10 1 1638 . 162 PHE H H 8.283 0.05 1 1639 . 162 PHE CA C 57.225 0.10 1 1640 . 162 PHE HA H 4.920 0.05 1 1641 . 162 PHE CB C 42.074 0.10 1 1642 . 162 PHE HB2 H 3.165 0.05 1 1643 . 162 PHE HB3 H 2.998 0.05 1 1644 . 162 PHE HD1 H 7.160 0.05 1 1645 . 162 PHE HE1 H 7.203 0.05 1 1646 . 162 PHE HZ H 6.933 0.05 1 1647 . 162 PHE HE2 H 7.203 0.05 1 1648 . 162 PHE HD2 H 7.160 0.05 1 1649 . 163 SER H H 8.896 0.05 1 1650 . 163 SER HA H 5.110 0.05 1 1651 . 163 SER HB2 H 3.945 0.05 1 1652 . 163 SER HB3 H 3.880 0.05 1 1653 . 164 ASN H H 8.121 0.05 1 1654 . 164 ASN HA H 4.122 0.05 1 1655 . 164 ASN HB3 H 1.325 0.05 1 1656 . 164 ASN HD21 H 7.497 0.05 1 1657 . 164 ASN HD22 H 7.474 0.05 1 1658 . 165 MET H H 9.140 0.05 1 1659 . 165 MET HA H 4.517 0.05 1 1660 . 165 MET HB2 H 2.250 0.05 1 1661 . 165 MET HB3 H 2.610 0.05 1 1662 . 165 MET HG2 H 2.974 0.05 1 1663 . 165 MET HG3 H 2.974 0.05 1 1664 . 165 MET HE H 2.200 0.05 1 1665 . 166 SER H H 8.130 0.05 1 1666 . 166 SER HA H 4.470 0.05 1 1667 . 166 SER HB2 H 3.992 0.05 1 1668 . 166 SER HB3 H 3.684 0.05 1 1669 . 167 PHE N N 122.329 0.10 1 1670 . 167 PHE H H 6.842 0.05 1 1671 . 167 PHE HA H 4.360 0.05 1 1672 . 167 PHE HB2 H 3.212 0.05 1 1673 . 167 PHE HB3 H 2.833 0.05 1 1674 . 167 PHE HD1 H 7.000 0.05 1 1675 . 167 PHE HE1 H 7.420 0.05 1 1676 . 167 PHE HZ H 7.300 0.05 1 1677 . 167 PHE HE2 H 7.420 0.05 1 1678 . 167 PHE HD2 H 7.000 0.05 1 1679 . 168 GLU H H 7.946 0.05 1 1680 . 168 GLU HA H 4.082 0.05 1 1681 . 168 GLU HB2 H 1.623 0.05 1 1682 . 168 GLU HB3 H 1.561 0.05 1 1683 . 168 GLU HG2 H 2.003 0.05 1 1684 . 168 GLU HG3 H 1.911 0.05 1 1685 . 169 ASP H H 7.727 0.05 1 1686 . 169 ASP HA H 4.276 0.05 1 1687 . 169 ASP HB2 H 2.715 0.05 1 1688 . 169 ASP HB3 H 2.528 0.05 1 1689 . 170 PHE N N 121.432 0.10 1 1690 . 170 PHE H H 8.715 0.05 1 1691 . 170 PHE CA C 56.800 0.10 1 1692 . 170 PHE HA H 4.670 0.05 1 1693 . 170 PHE CB C 38.562 0.10 1 1694 . 170 PHE HB2 H 3.189 0.05 1 1695 . 170 PHE HB3 H 2.792 0.05 1 1696 . 170 PHE HD1 H 7.344 0.05 1 1697 . 170 PHE HE1 H 7.345 0.05 1 1698 . 170 PHE HE2 H 7.286 0.05 1 1699 . 170 PHE HD2 H 7.288 0.05 1 1700 . 171 PRO CA C 62.990 0.10 1 1701 . 171 PRO HA H 4.391 0.05 1 1702 . 171 PRO CB C 32.050 0.10 1 1703 . 171 PRO HB2 H 2.305 0.05 1 1704 . 171 PRO HB3 H 1.945 0.05 1 1705 . 171 PRO CG C 27.222 0.10 1 1706 . 171 PRO HG2 H 2.045 0.05 1 1707 . 171 PRO HG3 H 2.041 0.05 1 1708 . 171 PRO CD C 50.407 0.10 1 1709 . 171 PRO HD2 H 3.888 0.05 1 1710 . 171 PRO HD3 H 3.740 0.05 1 stop_ save_