data_5719 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment and secondary structure of an N-terminal fragment of the human La protein ; _BMRB_accession_number 5719 _BMRB_flat_file_name bmr5719.str _Entry_type original _Submission_date 2003-03-07 _Accession_date 2003-03-07 _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 Alfano Caterina . . 2 Babon Jeff . . 3 Kelly Geoff . . 4 Curry Stephen . . 5 Conte Maria R . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 470 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-07-17 original author . stop_ _Original_release_date 2003-07-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Resonance Assignment and Secondary Structure of an N-terminal Fragment of the Human La Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22760844 _PubMed_ID 12878847 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alfano Caterina . . 2 Babon Jeff . . 3 Kelly Geoff . . 4 Curry Stephen . . 5 Conte Maria R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 94 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_La _Saveframe_category molecular_system _Mol_system_name 'La protein' _Abbreviation_common La _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'La RRM2, La monomer' $La stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_La _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'La protein' _Abbreviation_common La _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; MGHHHHHHIEGRWILKNDVK NRSVYIKGFPTDATLDDIKE WLEDKGQVLNIQMRRTLHKA FKGSIFVVFDSIESAKKFVE TPGQKYKETDLLILFKDDYF AKKNEERKQNKVE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 ILE 10 GLU 11 GLY 12 ARG 13 TRP 14 ILE 15 LEU 16 LYS 17 ASN 18 ASP 19 VAL 20 LYS 21 ASN 22 ARG 23 SER 24 VAL 25 TYR 26 ILE 27 LYS 28 GLY 29 PHE 30 PRO 31 THR 32 ASP 33 ALA 34 THR 35 LEU 36 ASP 37 ASP 38 ILE 39 LYS 40 GLU 41 TRP 42 LEU 43 GLU 44 ASP 45 LYS 46 GLY 47 GLN 48 VAL 49 LEU 50 ASN 51 ILE 52 GLN 53 MET 54 ARG 55 ARG 56 THR 57 LEU 58 HIS 59 LYS 60 ALA 61 PHE 62 LYS 63 GLY 64 SER 65 ILE 66 PHE 67 VAL 68 VAL 69 PHE 70 ASP 71 SER 72 ILE 73 GLU 74 SER 75 ALA 76 LYS 77 LYS 78 PHE 79 VAL 80 GLU 81 THR 82 PRO 83 GLY 84 GLN 85 LYS 86 TYR 87 LYS 88 GLU 89 THR 90 ASP 91 LEU 92 LEU 93 ILE 94 LEU 95 PHE 96 LYS 97 ASP 98 ASP 99 TYR 100 PHE 101 ALA 102 LYS 103 LYS 104 ASN 105 GLU 106 GLU 107 ARG 108 LYS 109 GLN 110 ASN 111 LYS 112 VAL 113 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15726 La_protein 79.65 197 100.00 100.00 3.12e-56 BMRB 15727 La_protein 79.65 197 100.00 100.00 3.12e-56 BMRB 17878 human_La_protein 86.73 322 100.00 100.00 1.16e-60 PDB 1S79 "Solution Structure Of The Central Rrm Of Human La Protein" 91.15 103 100.00 100.00 2.39e-67 PDB 1YTY "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 79.65 194 98.89 98.89 6.48e-55 PDB 1ZH5 "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 79.65 195 98.89 98.89 6.47e-55 PDB 2VOD "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auauuuu" 79.65 193 100.00 100.00 4.23e-56 PDB 2VON "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auaauuu" 79.65 193 100.00 100.00 4.23e-56 PDB 2VOO "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Uuuuuuuu" 79.65 193 100.00 100.00 4.23e-56 PDB 2VOP "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auuuu" 79.65 193 100.00 100.00 4.23e-56 DBJ BAE87871 "unnamed protein product [Macaca fascicularis]" 86.73 405 98.98 98.98 1.31e-58 DBJ BAE87890 "unnamed protein product [Macaca fascicularis]" 86.73 405 98.98 98.98 1.31e-58 DBJ BAG70042 "autoantigen La [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 DBJ BAG70165 "autoantigen La [Homo sapiens]" 86.73 408 100.00 100.00 9.44e-60 DBJ BAI45822 "Sjogren syndrome antigen B [synthetic construct]" 86.73 408 100.00 100.00 9.34e-60 EMBL CAA31985 "unnamed protein product [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 EMBL CAA32815 "La 4.1 protein [Homo sapiens]" 79.65 296 97.78 98.89 5.92e-54 GB AAA36577 "ribonucleoprotein La, partial [Homo sapiens]" 86.73 355 100.00 100.00 1.27e-60 GB AAA51885 "La protein [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 GB AAH01289 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 GB AAH20818 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 GB AAP88864 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 REF NP_001267347 "lupus La protein [Pan troglodytes]" 86.73 408 98.98 98.98 1.39e-58 REF NP_001270975 "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" 86.73 405 98.98 98.98 1.31e-58 REF NP_001281074 "lupus La protein [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 REF NP_003133 "lupus La protein [Homo sapiens]" 86.73 408 100.00 100.00 9.34e-60 REF XP_001497943 "PREDICTED: lupus La protein homolog isoform 1 [Equus caballus]" 86.73 405 96.94 98.98 4.14e-58 SP P05455 "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" 86.73 408 100.00 100.00 9.34e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $La HUMAN 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $La '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 $La . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 293 0.5 K 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 _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'La RRM2, La monomer' _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 . 7 HIS CA C 55.653 0.000 1 2 . 7 HIS CB C 30.082 0.000 1 3 . 7 HIS C C 174.440 0.000 1 4 . 8 HIS N N 120.990 0.053 1 5 . 8 HIS H H 8.657 0.017 1 6 . 8 HIS CA C 55.694 0.000 1 7 . 8 HIS CB C 29.745 0.000 1 8 . 8 HIS C C 174.300 0.000 1 9 . 9 ILE N N 123.306 0.053 1 10 . 9 ILE H H 8.267 0.004 1 11 . 9 ILE CA C 60.647 0.000 1 12 . 9 ILE HA H 4.130 0.000 1 13 . 9 ILE CB C 38.804 0.000 1 14 . 9 ILE HB H 1.788 0.000 1 15 . 9 ILE CG2 C 17.340 0.000 1 16 . 9 ILE HG2 H 0.856 0.000 1 17 . 9 ILE CG1 C 27.049 0.000 1 18 . 9 ILE HG12 H 1.089 0.000 1 19 . 9 ILE HG13 H 1.363 0.000 1 20 . 9 ILE CD1 C 12.830 0.000 1 21 . 9 ILE HD1 H 0.822 0.000 1 22 . 9 ILE C C 175.800 0.000 1 23 . 10 GLU N N 125.556 0.053 1 24 . 10 GLU H H 8.567 0.013 1 25 . 10 GLU CA C 56.272 0.000 1 26 . 10 GLU HA H 4.287 0.000 1 27 . 10 GLU CB C 30.174 0.000 1 28 . 10 GLU HB2 H 1.965 0.000 1 29 . 10 GLU HB3 H 2.067 0.000 1 30 . 10 GLU CG C 36.111 0.000 1 31 . 10 GLU HG2 H 2.308 0.000 1 32 . 10 GLU HG3 H 2.308 0.000 1 33 . 10 GLU C C 176.750 0.000 1 34 . 11 GLY N N 110.253 0.000 1 35 . 11 GLY H H 8.405 0.000 1 36 . 11 GLY CA C 45.260 0.000 1 37 . 11 GLY HA2 H 3.889 0.000 1 38 . 11 GLY HA3 H 3.889 0.000 1 39 . 11 GLY C C 174.230 0.000 1 40 . 12 ARG N N 120.431 0.072 1 41 . 12 ARG H H 8.136 0.006 1 42 . 12 ARG CA C 56.272 0.000 1 43 . 12 ARG HA H 4.238 0.000 1 44 . 12 ARG CB C 30.305 0.000 1 45 . 12 ARG HB2 H 1.647 0.000 1 46 . 12 ARG HB3 H 1.647 0.000 1 47 . 12 ARG CG C 26.580 0.000 1 48 . 12 ARG HG2 H 1.392 0.000 1 49 . 12 ARG HG3 H 1.392 0.000 1 50 . 12 ARG C C 177.160 0.000 1 51 . 13 TRP N N 121.681 0.072 1 52 . 13 TRP H H 8.130 0.012 1 53 . 13 TRP CA C 57.053 0.000 1 54 . 13 TRP HA H 4.682 0.000 1 55 . 13 TRP CB C 29.080 0.000 1 56 . 13 TRP HB2 H 3.216 0.000 1 57 . 13 TRP HB3 H 3.329 0.000 1 58 . 13 TRP CD1 C 126.745 0.000 1 59 . 13 TRP CE3 C 120.336 0.000 1 60 . 13 TRP NE1 N 129.466 0.000 1 61 . 13 TRP HD1 H 7.245 0.000 1 62 . 13 TRP HE3 H 7.588 0.000 1 63 . 13 TRP CZ3 C 121.589 0.000 1 64 . 13 TRP CZ2 C 114.570 0.000 1 65 . 13 TRP HE1 H 10.174 0.000 1 66 . 13 TRP HZ3 H 7.127 0.000 1 67 . 13 TRP CH2 C 124.245 0.000 1 68 . 13 TRP HZ2 H 7.466 0.000 1 69 . 13 TRP HH2 H 7.205 0.000 1 70 . 13 TRP C C 176.090 0.000 1 71 . 14 ILE N N 122.056 0.053 1 72 . 14 ILE H H 7.783 0.012 1 73 . 14 ILE CA C 60.959 0.000 1 74 . 14 ILE HA H 4.031 0.000 1 75 . 14 ILE CB C 38.677 0.000 1 76 . 14 ILE HB H 1.762 0.000 1 77 . 14 ILE CG2 C 17.210 0.000 1 78 . 14 ILE HG2 H 0.822 0.000 1 79 . 14 ILE CG1 C 27.079 0.000 1 80 . 14 ILE HG12 H 1.362 0.000 1 81 . 14 ILE HG13 H 1.125 0.000 1 82 . 14 ILE CD1 C 12.837 0.000 1 83 . 14 ILE HD1 H 0.816 0.000 1 84 . 14 ILE C C 175.890 0.000 1 85 . 15 LEU N N 125.361 0.072 1 86 . 15 LEU H H 8.116 0.009 1 87 . 15 LEU CA C 57.468 0.000 1 88 . 15 LEU HA H 4.148 0.000 1 89 . 15 LEU CB C 41.392 0.000 1 90 . 15 LEU HB2 H 1.681 0.000 1 91 . 15 LEU HB3 H 1.452 0.000 1 92 . 15 LEU CG C 27.022 0.000 1 93 . 15 LEU HG H 1.465 0.000 1 94 . 15 LEU CD1 C 24.397 0.000 1 95 . 15 LEU HD1 H 0.908 0.000 1 96 . 15 LEU CD2 C 23.924 0.000 1 97 . 15 LEU HD2 H 0.879 0.000 1 98 . 15 LEU C C 177.360 0.000 1 99 . 16 LYS N N 121.850 0.000 1 100 . 16 LYS H H 8.158 0.000 1 101 . 16 LYS CA C 56.428 0.000 1 102 . 16 LYS HA H 4.235 0.000 1 103 . 16 LYS CB C 32.830 0.000 1 104 . 16 LYS HB2 H 1.784 0.000 1 105 . 16 LYS HB3 H 1.845 0.000 1 106 . 16 LYS CG C 26.893 0.000 1 107 . 16 LYS HG2 H 1.384 0.000 1 108 . 16 LYS HG3 H 1.659 0.000 1 109 . 16 LYS CD C 29.084 0.000 1 110 . 16 LYS HD2 H 1.690 0.000 1 111 . 16 LYS HD3 H 1.690 0.000 1 112 . 16 LYS C C 176.610 0.000 1 113 . 17 ASN N N 119.253 0.000 1 114 . 17 ASN H H 8.386 0.000 1 115 . 17 ASN CA C 53.147 0.000 1 116 . 17 ASN HA H 4.700 0.000 1 117 . 17 ASN CB C 38.611 0.000 1 118 . 17 ASN HB2 H 2.762 0.000 1 119 . 17 ASN HB3 H 2.848 0.000 1 120 . 17 ASN C C 175.160 0.000 1 121 . 18 ASP N N 121.253 0.000 1 122 . 18 ASP H H 8.156 0.000 1 123 . 18 ASP CA C 54.397 0.000 1 124 . 18 ASP HA H 4.566 0.000 1 125 . 18 ASP CB C 41.580 0.000 1 126 . 18 ASP HB2 H 2.713 0.000 1 127 . 18 ASP HB3 H 2.794 0.000 1 128 . 18 ASP C C 178.069 0.000 1 129 . 19 VAL N N 121.253 0.000 1 130 . 19 VAL H H 8.125 0.000 1 131 . 19 VAL CA C 64.397 0.000 1 132 . 19 VAL HA H 3.810 0.000 1 133 . 19 VAL CB C 31.883 0.000 1 134 . 19 VAL HB H 2.152 0.000 1 135 . 19 VAL CG1 C 20.632 0.000 1 136 . 19 VAL HG1 H 0.918 0.000 1 137 . 19 VAL CG2 C 21.762 0.000 1 138 . 19 VAL HG2 H 0.997 0.000 1 139 . 19 VAL C C 178.760 0.000 1 140 . 20 LYS N N 124.306 0.053 1 141 . 20 LYS H H 8.687 0.004 1 142 . 20 LYS CA C 59.553 0.000 1 143 . 20 LYS HA H 4.057 0.000 1 144 . 20 LYS CB C 31.736 0.000 1 145 . 20 LYS HB2 H 1.870 0.000 1 146 . 20 LYS HB3 H 1.940 0.000 1 147 . 20 LYS CG C 21.893 0.000 1 148 . 20 LYS HG2 H 0.990 0.000 1 149 . 20 LYS HG3 H 0.990 0.000 1 150 . 20 LYS CD C 29.393 0.000 1 151 . 20 LYS HD2 H 1.454 0.000 1 152 . 20 LYS HD3 H 1.454 0.000 1 153 . 20 LYS C C 178.350 0.000 1 154 . 21 ASN N N 115.431 0.072 1 155 . 21 ASN H H 7.934 0.015 1 156 . 21 ASN CA C 54.084 0.000 1 157 . 21 ASN HA H 4.668 0.000 1 158 . 21 ASN CB C 38.611 0.000 1 159 . 21 ASN HB2 H 2.786 0.000 1 160 . 21 ASN HB3 H 2.959 0.000 1 161 . 21 ASN C C 173.910 0.000 1 162 . 22 ARG N N 114.306 0.053 1 163 . 22 ARG H H 7.694 0.011 1 164 . 22 ARG CA C 54.809 0.000 1 165 . 22 ARG HA H 4.764 0.000 1 166 . 22 ARG CB C 30.955 0.000 1 167 . 22 ARG HB2 H 1.919 0.000 1 168 . 22 ARG HB3 H 1.919 0.000 1 169 . 22 ARG CG C 27.852 0.000 1 170 . 22 ARG HG2 H 1.414 0.000 1 171 . 22 ARG HG3 H 1.739 0.000 1 172 . 22 ARG C C 174.310 0.000 1 173 . 23 SER N N 115.306 0.053 1 174 . 23 SER H H 7.592 0.019 1 175 . 23 SER CA C 57.834 0.000 1 176 . 23 SER HA H 5.830 0.000 1 177 . 23 SER CB C 64.969 0.000 1 178 . 23 SER HB2 H 4.720 0.000 1 179 . 23 SER HB3 H 4.720 0.000 1 180 . 23 SER C C 173.650 0.000 1 181 . 24 VAL N N 125.306 0.053 1 182 . 24 VAL H H 9.764 0.010 1 183 . 24 VAL CA C 61.887 0.000 1 184 . 24 VAL HA H 4.746 0.000 1 185 . 24 VAL CB C 36.862 0.000 1 186 . 24 VAL HB H 2.159 0.000 1 187 . 24 VAL CG1 C 22.129 0.000 1 188 . 24 VAL HG1 H 1.075 0.000 1 189 . 24 VAL CG2 C 22.361 0.000 1 190 . 24 VAL HG2 H 0.959 0.000 1 191 . 24 VAL C C 173.120 0.000 1 192 . 25 TYR N N 129.003 0.000 1 193 . 25 TYR H H 9.871 0.000 1 194 . 25 TYR CA C 55.803 0.000 1 195 . 25 TYR HA H 5.484 0.000 1 196 . 25 TYR CB C 41.424 0.000 1 197 . 25 TYR HB2 H 2.719 0.000 1 198 . 25 TYR HB3 H 2.870 0.000 1 199 . 25 TYR CD1 C 131.749 0.000 1 200 . 25 TYR HD1 H 6.390 0.000 1 201 . 25 TYR CE1 C 117.370 0.000 1 202 . 25 TYR HE1 H 6.111 0.000 1 203 . 25 TYR CE2 C 117.370 0.000 1 204 . 25 TYR HE2 H 6.111 0.000 1 205 . 25 TYR CD2 C 131.749 0.000 1 206 . 25 TYR HD2 H 6.390 0.000 1 207 . 25 TYR C C 173.270 0.000 1 208 . 26 ILE N N 124.056 0.053 1 209 . 26 ILE H H 8.032 0.016 1 210 . 26 ILE CA C 59.635 0.000 1 211 . 26 ILE HA H 4.987 0.000 1 212 . 26 ILE CB C 41.580 0.000 1 213 . 26 ILE HB H 1.655 0.000 1 214 . 26 ILE CG2 C 20.174 0.000 1 215 . 26 ILE HG2 H 0.666 0.000 1 216 . 26 ILE CG1 C 27.361 0.000 1 217 . 26 ILE HG12 H 1.281 0.000 1 218 . 26 ILE HG13 H 1.821 0.000 1 219 . 26 ILE CD1 C 16.082 0.000 1 220 . 26 ILE HD1 H 1.203 0.000 1 221 . 26 ILE C C 173.770 0.000 1 222 . 27 LYS N N 126.556 0.053 1 223 . 27 LYS H H 9.072 0.004 1 224 . 27 LYS CA C 54.553 0.000 1 225 . 27 LYS HA H 4.403 0.000 1 226 . 28 GLY H H 7.520 0.000 1 227 . 28 GLY CA C 44.537 0.000 1 228 . 28 GLY HA2 H 3.510 0.000 1 229 . 28 GLY HA3 H 4.380 0.000 1 230 . 28 GLY C C 172.950 0.000 1 231 . 29 PHE N N 118.753 0.000 1 232 . 29 PHE H H 8.110 0.001 1 233 . 29 PHE CA C 56.740 0.000 1 234 . 29 PHE HA H 3.936 0.000 1 235 . 29 PHE CB C 38.480 0.000 1 236 . 29 PHE HB2 H 2.292 0.000 1 237 . 29 PHE HB3 H 2.642 0.000 1 238 . 29 PHE CD1 C 129.718 0.000 1 239 . 29 PHE HD1 H 6.146 0.000 1 240 . 29 PHE CE1 C 130.499 0.000 1 241 . 29 PHE HE1 H 6.387 0.000 1 242 . 29 PHE CZ C 128.620 0.000 1 243 . 29 PHE HZ H 6.571 0.000 1 244 . 29 PHE CE2 C 130.499 0.000 1 245 . 29 PHE HE2 H 6.387 0.000 1 246 . 29 PHE CD2 C 129.718 0.000 1 247 . 29 PHE HD2 H 6.146 0.000 1 248 . 30 PRO CD C 50.490 0.000 1 249 . 30 PRO CA C 62.209 0.000 1 250 . 30 PRO HA H 4.631 0.000 1 251 . 30 PRO CB C 32.043 0.000 1 252 . 30 PRO HB2 H 2.295 0.000 1 253 . 30 PRO HB3 H 2.498 0.000 1 254 . 30 PRO CG C 27.745 0.000 1 255 . 30 PRO HG2 H 2.332 0.000 1 256 . 30 PRO HG3 H 2.332 0.000 1 257 . 30 PRO HD2 H 3.459 0.000 1 258 . 30 PRO HD3 H 3.954 0.000 1 259 . 30 PRO C C 178.070 0.000 1 260 . 31 THR N N 111.538 0.050 1 261 . 31 THR H H 8.585 0.008 1 262 . 31 THR CA C 64.397 0.000 1 263 . 31 THR HA H 3.814 0.000 1 264 . 31 THR CB C 67.991 0.000 1 265 . 31 THR HB H 4.537 0.000 1 266 . 31 THR CG2 C 21.840 0.000 1 267 . 31 THR HG2 H 1.134 0.000 1 268 . 31 THR C C 174.590 0.000 1 269 . 32 ASP N N 117.431 0.072 1 270 . 32 ASP H H 8.236 0.014 1 271 . 32 ASP CA C 52.517 0.000 1 272 . 32 ASP HA H 4.715 0.000 1 273 . 32 ASP CB C 39.674 0.000 1 274 . 32 ASP HB2 H 2.969 0.000 1 275 . 32 ASP HB3 H 2.645 0.000 1 276 . 32 ASP C C 176.450 0.000 1 277 . 33 ALA N N 124.181 0.072 1 278 . 33 ALA H H 7.700 0.011 1 279 . 33 ALA CA C 52.557 0.000 1 280 . 33 ALA HA H 4.463 0.000 1 281 . 33 ALA CB C 18.447 0.000 1 282 . 33 ALA HB H 1.329 0.000 1 283 . 33 ALA C C 176.440 0.000 1 284 . 34 THR N N 111.056 0.053 1 285 . 34 THR H H 8.516 0.016 1 286 . 34 THR CA C 58.772 0.000 1 287 . 34 THR HA H 4.350 0.000 1 288 . 34 THR CB C 71.741 0.000 1 289 . 34 THR HB H 4.582 0.000 1 290 . 34 THR CG2 C 21.736 0.000 1 291 . 34 THR HG2 H 1.276 0.000 1 292 . 34 THR C C 175.220 0.000 1 293 . 35 LEU N N 121.253 0.000 1 294 . 35 LEU H H 8.606 0.000 1 295 . 35 LEU CA C 57.949 0.000 1 296 . 35 LEU HA H 3.899 0.000 1 297 . 35 LEU CB C 40.799 0.000 1 298 . 35 LEU HB2 H 1.655 0.000 1 299 . 35 LEU HB3 H 1.549 0.000 1 300 . 35 LEU CG C 27.049 0.000 1 301 . 35 LEU HG H 1.459 0.000 1 302 . 35 LEU CD1 C 22.830 0.000 1 303 . 35 LEU HD1 H 0.808 0.000 1 304 . 35 LEU CD2 C 25.330 0.000 1 305 . 35 LEU HD2 H 0.880 0.000 1 306 . 35 LEU C C 178.440 0.000 1 307 . 36 ASP N N 116.181 0.072 1 308 . 36 ASP H H 7.835 0.016 1 309 . 36 ASP CA C 57.522 0.000 1 310 . 36 ASP HA H 4.309 0.000 1 311 . 36 ASP CB C 40.211 0.000 1 312 . 36 ASP HB2 H 2.451 0.000 1 313 . 36 ASP HB3 H 2.633 0.000 1 314 . 36 ASP C C 178.530 0.000 1 315 . 37 ASP N N 121.306 0.053 1 316 . 37 ASP H H 7.749 0.011 1 317 . 37 ASP CA C 57.365 0.000 1 318 . 37 ASP HA H 4.383 0.000 1 319 . 37 ASP CB C 40.486 0.000 1 320 . 37 ASP HB2 H 3.040 0.000 1 321 . 37 ASP HB3 H 3.109 0.000 1 322 . 37 ASP C C 179.420 0.000 1 323 . 38 ILE N N 122.556 0.053 1 324 . 38 ILE H H 7.788 0.016 1 325 . 38 ILE CA C 65.178 0.000 1 326 . 38 ILE HA H 3.471 0.000 1 327 . 38 ILE CB C 37.830 0.000 1 328 . 38 ILE HB H 1.604 0.000 1 329 . 38 ILE CG2 C 17.383 0.000 1 330 . 38 ILE HG2 H 0.452 0.000 1 331 . 38 ILE CG1 C 28.617 0.000 1 332 . 38 ILE HG12 H 1.121 0.000 1 333 . 38 ILE HG13 H -0.144 0.000 1 334 . 38 ILE CD1 C 12.491 0.000 1 335 . 38 ILE HD1 H -0.183 0.000 1 336 . 38 ILE C C 177.550 0.000 1 337 . 39 LYS N N 120.431 0.072 1 338 . 39 LYS H H 9.024 0.012 1 339 . 39 LYS CA C 60.453 0.000 1 340 . 39 LYS HA H 3.756 0.000 1 341 . 39 LYS CB C 32.518 0.000 1 342 . 39 LYS HB2 H 1.815 0.000 1 343 . 39 LYS HB3 H 1.881 0.000 1 344 . 39 LYS CG C 25.799 0.000 1 345 . 39 LYS HG2 H 1.295 0.000 1 346 . 39 LYS HG3 H 1.494 0.000 1 347 . 39 LYS CD C 29.549 0.000 1 348 . 39 LYS HD2 H 1.630 0.000 1 349 . 39 LYS HD3 H 1.630 0.000 1 350 . 39 LYS C C 179.440 0.000 1 351 . 40 GLU N N 118.306 0.053 1 352 . 40 GLU H H 8.062 0.014 1 353 . 40 GLU CA C 59.084 0.000 1 354 . 40 GLU HA H 4.121 0.000 1 355 . 40 GLU CB C 29.393 0.000 1 356 . 40 GLU HB2 H 2.120 0.000 1 357 . 40 GLU HB3 H 2.242 0.000 1 358 . 40 GLU CG C 36.101 0.000 1 359 . 40 GLU HG2 H 2.345 0.000 1 360 . 40 GLU HG3 H 2.481 0.000 1 361 . 40 GLU C C 178.870 0.000 1 362 . 41 TRP N N 121.431 0.072 1 363 . 41 TRP H H 7.919 0.016 1 364 . 41 TRP CA C 61.584 0.000 1 365 . 41 TRP HA H 4.356 0.000 1 366 . 41 TRP CB C 28.611 0.000 1 367 . 41 TRP HB2 H 3.724 0.000 1 368 . 41 TRP HB3 H 3.861 0.000 1 369 . 41 TRP CD1 C 127.995 0.000 1 370 . 41 TRP CE3 C 120.182 0.000 1 371 . 41 TRP CE2 C 177.710 0.000 1 372 . 41 TRP NE1 N 130.443 0.000 1 373 . 41 TRP HD1 H 7.726 0.000 1 374 . 41 TRP HE3 H 7.163 0.000 1 375 . 41 TRP CZ3 C 128.464 0.000 1 376 . 41 TRP CZ2 C 115.182 0.000 1 377 . 41 TRP HE1 H 10.415 0.000 1 378 . 41 TRP HZ3 H 7.427 0.003 1 379 . 41 TRP CH2 C 123.307 0.000 1 380 . 41 TRP HZ2 H 7.415 0.000 1 381 . 41 TRP HH2 H 7.126 0.000 1 382 . 41 TRP C C 178.497 0.000 1 383 . 42 LEU N N 116.503 0.000 1 384 . 42 LEU H H 8.248 0.000 1 385 . 42 LEU CA C 56.115 0.000 1 386 . 42 LEU HA H 3.799 0.000 1 387 . 42 LEU CB C 43.143 0.000 1 388 . 42 LEU HB2 H 1.480 0.000 1 389 . 42 LEU HB3 H 1.943 0.000 1 390 . 42 LEU CD1 C 23.098 0.000 1 391 . 42 LEU HD1 H 0.796 0.000 1 392 . 42 LEU CD2 C 27.205 0.000 1 393 . 42 LEU HD2 H 0.744 0.000 1 394 . 42 LEU C C 178.500 0.000 1 395 . 43 GLU N N 119.181 0.072 1 396 . 43 GLU H H 7.541 0.017 1 397 . 43 GLU CA C 59.397 0.000 1 398 . 43 GLU HA H 4.111 0.000 1 399 . 43 GLU CB C 29.549 0.000 1 400 . 43 GLU HB2 H 2.053 0.000 1 401 . 43 GLU HB3 H 2.211 0.000 1 402 . 43 GLU CG C 35.955 0.000 1 403 . 43 GLU HG2 H 2.441 0.000 1 404 . 43 GLU HG3 H 2.549 0.000 1 405 . 43 GLU C C 177.210 0.000 1 406 . 44 ASP N N 114.306 0.053 1 407 . 44 ASP H H 7.819 0.021 1 408 . 44 ASP CA C 53.459 0.000 1 409 . 44 ASP HA H 4.700 0.000 1 410 . 44 ASP CB C 40.174 0.000 1 411 . 44 ASP HB2 H 2.604 0.000 1 412 . 44 ASP HB3 H 2.886 0.000 1 413 . 44 ASP C C 176.830 0.000 1 414 . 45 LYS N N 117.931 0.072 1 415 . 45 LYS H H 7.934 0.012 1 416 . 45 LYS CA C 54.709 0.000 1 417 . 45 LYS HA H 4.418 0.000 1 418 . 45 LYS CB C 31.736 0.000 1 419 . 45 LYS HB2 H 1.793 0.000 1 420 . 45 LYS HB3 H 2.026 0.000 1 421 . 45 LYS CG C 27.205 0.000 1 422 . 45 LYS HG2 H 1.224 0.000 1 423 . 45 LYS HG3 H 1.368 0.000 1 424 . 45 LYS CE C 42.348 0.000 1 425 . 45 LYS HE2 H 2.097 0.000 1 426 . 45 LYS HE3 H 2.618 0.000 1 427 . 45 LYS C C 175.960 0.000 1 428 . 46 GLY N N 106.306 0.053 1 429 . 46 GLY H H 7.628 0.016 1 430 . 46 GLY CA C 43.907 0.000 1 431 . 46 GLY HA2 H 3.828 0.000 1 432 . 46 GLY HA3 H 4.284 0.000 1 433 . 46 GLY C C 171.560 0.000 1 434 . 47 GLN N N 119.503 0.000 1 435 . 47 GLN H H 8.574 0.000 1 436 . 47 GLN CA C 55.647 0.000 1 437 . 47 GLN HA H 4.339 0.000 1 438 . 47 GLN CB C 28.149 0.000 1 439 . 47 GLN HB2 H 2.059 0.000 1 440 . 47 GLN HB3 H 2.059 0.000 1 441 . 47 GLN CG C 34.015 0.000 1 442 . 47 GLN HG2 H 2.286 0.000 1 443 . 47 GLN HG3 H 2.286 0.000 1 444 . 47 GLN C C 174.520 0.000 1 445 . 48 VAL N N 124.681 0.072 1 446 . 48 VAL H H 8.087 0.012 1 447 . 48 VAL CA C 61.428 0.000 1 448 . 48 VAL HA H 3.954 0.000 1 449 . 48 VAL CB C 32.986 0.000 1 450 . 48 VAL HB H 1.762 0.000 1 451 . 48 VAL CG1 C 21.268 0.000 1 452 . 48 VAL HG1 H 0.370 0.000 1 453 . 48 VAL CG2 C 22.275 0.000 1 454 . 48 VAL HG2 H 0.428 0.000 1 455 . 48 VAL C C 176.260 0.000 1 456 . 49 LEU N N 125.003 0.000 1 457 . 49 LEU H H 8.984 0.000 1 458 . 49 LEU CA C 54.929 0.000 1 459 . 49 LEU HA H 4.395 0.000 1 460 . 49 LEU CB C 43.143 0.000 1 461 . 49 LEU HB2 H 1.510 0.000 1 462 . 49 LEU HB3 H 1.362 0.000 1 463 . 49 LEU CG C 27.205 0.000 1 464 . 49 LEU HG H 1.370 0.000 1 465 . 49 LEU CD1 C 25.729 0.000 1 466 . 49 LEU HD1 H 0.874 0.000 1 467 . 49 LEU CD2 C 22.361 0.000 1 468 . 49 LEU HD2 H 0.803 0.000 1 469 . 49 LEU C C 176.860 0.000 1 470 . 50 ASN N N 114.556 0.053 1 471 . 50 ASN H H 7.207 0.015 1 472 . 50 ASN CA C 53.763 0.000 1 473 . 50 ASN HA H 4.764 0.000 1 474 . 50 ASN CB C 42.373 0.000 1 475 . 50 ASN HB2 H 2.356 0.000 1 476 . 50 ASN HB3 H 2.638 0.000 1 477 . 50 ASN C C 172.450 0.000 1 478 . 51 ILE N N 123.306 0.053 1 479 . 51 ILE H H 8.305 0.009 1 480 . 51 ILE CA C 60.647 0.000 1 481 . 51 ILE HA H 4.465 0.000 1 482 . 51 ILE CB C 41.526 0.000 1 483 . 51 ILE HB H 1.508 0.000 1 484 . 51 ILE CG2 C 17.205 0.000 1 485 . 51 ILE HG2 H 0.561 0.000 1 486 . 51 ILE CG1 C 27.674 0.000 1 487 . 51 ILE HG12 H 0.583 0.000 1 488 . 51 ILE HG13 H 1.392 0.000 1 489 . 51 ILE CD1 C 14.861 0.000 1 490 . 51 ILE HD1 H 0.698 0.000 1 491 . 51 ILE C C 174.090 0.000 1 492 . 52 GLN N N 126.681 0.072 1 493 . 52 GLN H H 9.167 0.003 1 494 . 52 GLN CA C 54.045 0.000 1 495 . 52 GLN HA H 4.715 0.000 1 496 . 52 GLN CB C 31.111 0.000 1 497 . 52 GLN HB2 H 2.122 0.000 1 498 . 52 GLN HB3 H 2.251 0.000 1 499 . 52 GLN CG C 33.299 0.000 1 500 . 52 GLN HG2 H 2.257 0.000 1 501 . 52 GLN HG3 H 2.448 0.000 1 502 . 52 GLN C C 175.520 0.000 1 503 . 53 MET N N 125.306 0.053 1 504 . 53 MET H H 9.062 0.016 1 505 . 53 MET CA C 55.803 0.000 1 506 . 53 MET HA H 4.325 0.000 1 507 . 53 MET CB C 31.290 0.000 1 508 . 53 MET HB2 H 1.813 0.000 1 509 . 53 MET HB3 H 2.244 0.000 1 510 . 53 MET C C 175.250 0.000 1 511 . 54 ARG N N 125.753 0.000 1 512 . 54 ARG H H 8.303 0.000 1 513 . 54 ARG CA C 57.522 0.000 1 514 . 54 ARG HA H 4.407 0.000 1 515 . 54 ARG CB C 32.049 0.000 1 516 . 54 ARG HB2 H 1.786 0.000 1 517 . 54 ARG HB3 H 1.857 0.000 1 518 . 54 ARG CG C 25.018 0.000 1 519 . 54 ARG HG2 H 1.216 0.000 1 520 . 54 ARG HG3 H 1.356 0.000 1 521 . 54 ARG C C 176.120 0.000 1 522 . 55 ARG N N 122.003 0.000 1 523 . 55 ARG H H 8.774 0.000 1 524 . 55 ARG CA C 54.084 0.000 1 525 . 55 ARG HA H 5.655 0.000 1 526 . 55 ARG CG C 27.830 0.000 1 527 . 55 ARG HG2 H 1.480 0.000 1 528 . 55 ARG HG3 H 1.700 0.000 1 529 . 55 ARG C C 177.030 0.000 1 530 . 56 THR N N 111.753 0.000 1 531 . 56 THR H H 8.943 0.000 1 532 . 56 THR CA C 60.022 0.000 1 533 . 56 THR HA H 4.602 0.000 1 534 . 56 THR HB H 4.850 0.000 1 535 . 56 THR CG2 C 22.101 0.000 1 536 . 56 THR HG2 H 1.337 0.000 1 537 . 57 LEU CA C 54.964 0.000 1 538 . 57 LEU HA H 4.286 0.000 1 539 . 57 LEU CB C 41.871 0.000 1 540 . 57 LEU HB2 H 1.588 0.000 1 541 . 57 LEU HB3 H 1.650 0.000 1 542 . 57 LEU CG C 26.698 0.000 1 543 . 57 LEU HG H 1.613 0.000 1 544 . 57 LEU CD1 C 23.487 0.000 1 545 . 57 LEU HD1 H 0.890 0.000 1 546 . 57 LEU CD2 C 24.861 0.000 1 547 . 57 LEU HD2 H 0.953 0.000 1 548 . 58 HIS CA C 55.262 0.000 1 549 . 58 HIS HA H 4.830 0.000 1 550 . 58 HIS CB C 28.299 0.000 1 551 . 58 HIS HB2 H 2.990 0.000 1 552 . 58 HIS HB3 H 3.520 0.000 1 553 . 58 HIS C C 173.820 0.000 1 554 . 59 LYS N N 112.455 0.068 1 555 . 59 LYS H H 8.065 0.015 1 556 . 59 LYS CA C 57.834 0.000 1 557 . 59 LYS HA H 3.789 0.000 1 558 . 59 LYS CB C 28.924 0.000 1 559 . 59 LYS HB2 H 1.674 0.000 1 560 . 59 LYS HB3 H 1.731 0.000 1 561 . 59 LYS CG C 25.330 0.000 1 562 . 59 LYS HG2 H 1.354 0.000 1 563 . 59 LYS HG3 H 1.375 0.000 1 564 . 59 LYS C C 175.070 0.000 1 565 . 60 ALA N N 124.181 0.072 1 566 . 60 ALA H H 7.595 0.018 1 567 . 60 ALA CA C 51.584 0.000 1 568 . 60 ALA HA H 4.557 0.000 1 569 . 60 ALA CB C 19.020 0.000 1 570 . 60 ALA HB H 1.438 0.000 1 571 . 60 ALA C C 177.640 0.000 1 572 . 61 PHE N N 122.806 0.053 1 573 . 61 PHE H H 9.207 0.009 1 574 . 61 PHE CA C 56.136 0.000 1 575 . 61 PHE HA H 5.007 0.000 1 576 . 61 PHE CB C 37.986 0.000 1 577 . 61 PHE HB2 H 3.275 0.000 1 578 . 61 PHE HB3 H 3.492 0.000 1 579 . 61 PHE C C 176.360 0.000 1 580 . 62 LYS N N 125.753 0.000 1 581 . 62 LYS H H 8.706 0.000 1 582 . 62 LYS CA C 57.342 0.000 1 583 . 62 LYS HA H 4.792 0.000 1 584 . 62 LYS C C 178.030 0.000 1 585 . 63 GLY N N 110.253 0.000 1 586 . 63 GLY H H 8.514 0.000 1 587 . 63 GLY CA C 44.861 0.000 1 588 . 63 GLY HA2 H 3.957 0.000 1 589 . 63 GLY HA3 H 3.957 0.000 1 590 . 63 GLY C C 171.420 0.000 1 591 . 64 SER N N 111.753 0.000 1 592 . 64 SER H H 6.761 0.000 1 593 . 64 SER CA C 54.041 0.000 1 594 . 64 SER CB C 65.825 0.000 1 595 . 64 SER C C 172.740 0.000 1 596 . 65 ILE N N 111.181 0.072 1 597 . 65 ILE H H 8.682 0.012 1 598 . 65 ILE CA C 57.990 0.000 1 599 . 65 ILE HA H 5.312 0.000 1 600 . 65 ILE CB C 41.424 0.000 1 601 . 65 ILE HB H 1.842 0.000 1 602 . 65 ILE CG2 C 18.530 0.000 1 603 . 65 ILE HG2 H 0.809 0.000 1 604 . 65 ILE CD1 C 15.261 0.000 1 605 . 65 ILE HD1 H 0.588 0.000 1 606 . 65 ILE C C 174.020 0.000 1 607 . 66 PHE N N 114.806 0.053 1 608 . 66 PHE H H 8.435 0.015 1 609 . 66 PHE CA C 55.022 0.000 1 610 . 66 PHE HA H 6.211 0.000 1 611 . 66 PHE CB C 42.049 0.000 1 612 . 66 PHE HB2 H 2.916 0.000 1 613 . 66 PHE HB3 H 3.232 0.000 1 614 . 66 PHE CD1 C 131.124 0.000 1 615 . 66 PHE HD1 H 7.385 0.000 1 616 . 66 PHE CE1 C 129.093 0.000 1 617 . 66 PHE HE1 H 7.337 0.000 1 618 . 66 PHE CE2 C 129.093 0.000 1 619 . 66 PHE HE2 H 7.337 0.000 1 620 . 66 PHE CD2 C 131.124 0.000 1 621 . 66 PHE HD2 H 7.385 0.000 1 622 . 66 PHE C C 176.160 0.000 1 623 . 67 VAL N N 120.056 0.053 1 624 . 67 VAL H H 9.691 0.018 1 625 . 67 VAL CA C 59.240 0.000 1 626 . 67 VAL HA H 5.010 0.000 1 627 . 67 VAL CB C 35.099 0.000 1 628 . 67 VAL HB H 1.762 0.000 1 629 . 67 VAL CG1 C 22.448 0.000 1 630 . 67 VAL HG1 H 0.525 0.000 1 631 . 67 VAL CG2 C 22.189 0.000 1 632 . 67 VAL HG2 H 0.684 0.000 1 633 . 67 VAL C C 173.810 0.000 1 634 . 68 VAL N N 124.556 0.053 1 635 . 68 VAL H H 8.141 0.019 1 636 . 68 VAL CA C 61.404 0.000 1 637 . 68 VAL HA H 4.715 0.000 1 638 . 68 VAL CB C 33.924 0.000 1 639 . 68 VAL HB H 1.799 0.000 1 640 . 68 VAL CG1 C 20.080 0.000 1 641 . 68 VAL HG1 H 0.993 0.000 1 642 . 68 VAL CG2 C 21.736 0.000 1 643 . 68 VAL HG2 H 0.997 0.000 1 644 . 68 VAL C C 176.430 0.000 1 645 . 69 PHE N N 126.088 0.000 1 646 . 69 PHE H H 8.902 0.020 1 647 . 69 PHE CA C 58.629 0.000 1 648 . 69 PHE HA H 4.998 0.000 1 649 . 69 PHE CB C 42.205 0.000 1 650 . 69 PHE HB2 H 3.091 0.000 1 651 . 69 PHE HB3 H 3.517 0.000 1 652 . 69 PHE CD1 C 130.343 0.000 1 653 . 69 PHE HD1 H 7.165 0.000 1 654 . 69 PHE CE1 C 130.861 0.000 1 655 . 69 PHE HE1 H 6.707 0.000 1 656 . 69 PHE CZ C 128.680 0.000 1 657 . 69 PHE HZ H 5.621 0.000 1 658 . 69 PHE CE2 C 130.861 0.000 1 659 . 69 PHE HE2 H 6.707 0.000 1 660 . 69 PHE CD2 C 130.343 0.000 1 661 . 69 PHE HD2 H 7.165 0.000 1 662 . 69 PHE C C 175.520 0.000 1 663 . 70 ASP N N 118.431 0.072 1 664 . 70 ASP H H 8.724 0.014 1 665 . 70 ASP CA C 55.959 0.000 1 666 . 70 ASP HA H 4.267 0.000 1 667 . 70 ASP CB C 40.806 0.000 1 668 . 70 ASP HB2 H 2.615 0.000 1 669 . 70 ASP HB3 H 2.834 0.000 1 670 . 70 ASP C C 175.590 0.000 1 671 . 71 SER N N 111.181 0.072 1 672 . 71 SER H H 7.858 0.014 1 673 . 71 SER CA C 55.803 0.000 1 674 . 71 SER HA H 4.962 0.000 1 675 . 71 SER CB C 66.567 0.000 1 676 . 71 SER HB2 H 3.977 0.000 1 677 . 71 SER HB3 H 4.331 0.000 1 678 . 71 SER C C 174.360 0.000 1 679 . 72 ILE N N 123.431 0.072 1 680 . 72 ILE H H 9.051 0.014 1 681 . 72 ILE CA C 64.397 0.000 1 682 . 72 ILE HA H 3.900 0.000 1 683 . 72 ILE CB C 37.840 0.000 1 684 . 72 ILE HB H 1.887 0.000 1 685 . 72 ILE CG2 C 17.228 0.000 1 686 . 72 ILE HG2 H 1.008 0.000 1 687 . 72 ILE CG1 C 28.611 0.000 1 688 . 72 ILE HG12 H 1.142 0.000 1 689 . 72 ILE HG13 H 1.692 0.000 1 690 . 72 ILE CD1 C 14.063 0.000 1 691 . 72 ILE HD1 H 0.993 0.000 1 692 . 72 ILE C C 177.410 0.000 1 693 . 73 GLU N N 120.556 0.053 1 694 . 73 GLU H H 8.807 0.005 1 695 . 73 GLU CA C 60.453 0.000 1 696 . 73 GLU HA H 4.021 0.000 1 697 . 73 GLU CB C 28.768 0.000 1 698 . 73 GLU HB2 H 1.973 0.000 1 699 . 73 GLU HB3 H 2.138 0.000 1 700 . 73 GLU CG C 36.736 0.000 1 701 . 73 GLU HG2 H 2.325 0.000 1 702 . 73 GLU HG3 H 2.466 0.000 1 703 . 73 GLU C C 179.550 0.000 1 704 . 74 SER N N 116.431 0.072 1 705 . 74 SER H H 8.191 0.012 1 706 . 74 SER CA C 60.959 0.000 1 707 . 74 SER HA H 4.164 0.000 1 708 . 74 SER CB C 62.522 0.000 1 709 . 74 SER HB2 H 3.946 0.000 1 710 . 74 SER HB3 H 4.132 0.000 1 711 . 74 SER C C 176.620 0.000 1 712 . 75 ALA N N 124.931 0.072 1 713 . 75 ALA H H 7.671 0.020 1 714 . 75 ALA CA C 55.016 0.000 1 715 . 75 ALA HA H 3.068 0.000 1 716 . 75 ALA CB C 18.611 0.000 1 717 . 75 ALA HB H 1.614 0.000 1 718 . 75 ALA C C 177.730 0.000 1 719 . 76 LYS N N 117.431 0.072 1 720 . 76 LYS H H 8.810 0.021 1 721 . 76 LYS CA C 60.178 0.000 1 722 . 76 LYS HA H 4.017 0.000 1 723 . 76 LYS CB C 32.830 0.000 1 724 . 76 LYS HB2 H 1.985 0.000 1 725 . 76 LYS HB3 H 2.026 0.000 1 726 . 76 LYS C C 177.700 0.000 1 727 . 77 LYS N N 117.056 0.053 1 728 . 77 LYS H H 7.752 0.019 1 729 . 77 LYS CA C 58.615 0.000 1 730 . 77 LYS HA H 4.005 0.000 1 731 . 77 LYS CB C 32.129 0.000 1 732 . 77 LYS HB2 H 1.873 0.000 1 733 . 77 LYS HB3 H 1.873 0.000 1 734 . 77 LYS CG C 24.705 0.000 1 735 . 77 LYS HG2 H 1.418 0.000 1 736 . 77 LYS HG3 H 1.517 0.000 1 737 . 77 LYS CD C 29.236 0.000 1 738 . 77 LYS HD2 H 1.704 0.000 1 739 . 77 LYS HD3 H 1.704 0.000 1 740 . 77 LYS C C 178.620 0.000 1 741 . 78 PHE N N 119.181 0.072 1 742 . 78 PHE H H 7.437 0.014 1 743 . 78 PHE CA C 61.272 0.000 1 744 . 78 PHE HA H 4.218 0.000 1 745 . 78 PHE CB C 39.393 0.000 1 746 . 78 PHE HB2 H 2.641 0.000 1 747 . 78 PHE HB3 H 2.930 0.000 1 748 . 78 PHE CD1 C 131.589 0.000 1 749 . 78 PHE HD1 H 7.266 0.000 1 750 . 78 PHE CE1 C 131.029 0.000 1 751 . 78 PHE HE1 H 7.296 0.000 1 752 . 78 PHE CE2 C 131.029 0.000 1 753 . 78 PHE HE2 H 7.296 0.000 1 754 . 78 PHE CD2 C 131.589 0.000 1 755 . 78 PHE HD2 H 7.266 0.000 1 756 . 78 PHE C C 177.020 0.000 1 757 . 79 VAL N N 118.306 0.053 1 758 . 79 VAL H H 8.321 0.003 1 759 . 79 VAL CA C 65.491 0.000 1 760 . 79 VAL HA H 3.234 0.000 1 761 . 79 VAL CB C 31.672 0.000 1 762 . 79 VAL HB H 1.769 0.000 1 763 . 79 VAL CG1 C 23.837 0.000 1 764 . 79 VAL HG1 H 0.334 0.000 1 765 . 79 VAL CG2 C 21.341 0.000 1 766 . 79 VAL HG2 H 0.773 0.000 1 767 . 79 VAL C C 177.860 0.000 1 768 . 80 GLU N N 115.306 0.053 1 769 . 80 GLU H H 8.066 0.019 1 770 . 80 GLU CA C 56.409 0.000 1 771 . 80 GLU HA H 4.155 0.000 1 772 . 80 GLU CB C 28.924 0.000 1 773 . 80 GLU HB2 H 2.046 0.000 1 774 . 80 GLU HB3 H 2.193 0.000 1 775 . 80 GLU CG C 36.759 0.000 1 776 . 80 GLU HG2 H 2.341 0.000 1 777 . 80 GLU HG3 H 2.592 0.000 1 778 . 80 GLU C C 176.690 0.000 1 779 . 81 THR N N 120.306 0.053 1 780 . 81 THR H H 7.238 0.014 1 781 . 81 THR CA C 61.116 0.000 1 782 . 81 THR HA H 4.488 0.000 1 783 . 81 THR CB C 69.397 0.000 1 784 . 81 THR HB H 4.241 0.000 1 785 . 81 THR CG2 C 19.629 0.000 1 786 . 81 THR HG2 H 1.167 0.000 1 787 . 82 PRO CD C 50.647 0.000 1 788 . 82 PRO CA C 62.053 0.000 1 789 . 82 PRO HA H 4.699 0.000 1 790 . 82 PRO CB C 32.674 0.000 1 791 . 82 PRO HB2 H 2.010 0.000 1 792 . 82 PRO HB3 H 2.280 0.000 1 793 . 82 PRO CG C 26.463 0.000 1 794 . 82 PRO HG2 H 2.015 0.000 1 795 . 82 PRO HG3 H 2.015 0.000 1 796 . 82 PRO HD2 H 3.808 0.000 1 797 . 82 PRO HD3 H 4.180 0.000 1 798 . 82 PRO C C 177.680 0.000 1 799 . 83 GLY N N 107.288 0.050 1 800 . 83 GLY H H 8.683 0.011 1 801 . 83 GLY CA C 47.027 0.000 1 802 . 83 GLY HA2 H 3.799 0.000 1 803 . 83 GLY HA3 H 3.907 0.000 1 804 . 83 GLY C C 171.570 0.000 1 805 . 84 GLN N N 119.003 0.000 1 806 . 84 GLN H H 8.564 0.000 1 807 . 84 GLN CA C 57.209 0.000 1 808 . 84 GLN HA H 4.420 0.000 1 809 . 84 GLN CB C 30.046 0.000 1 810 . 84 GLN HB2 H 1.957 0.000 1 811 . 84 GLN HB3 H 2.073 0.000 1 812 . 84 GLN CG C 34.861 0.000 1 813 . 84 GLN HG2 H 1.964 0.000 1 814 . 84 GLN HG3 H 2.246 0.000 1 815 . 84 GLN C C 175.950 0.000 1 816 . 85 LYS N N 122.181 0.072 1 817 . 85 LYS H H 8.694 0.017 1 818 . 85 LYS CA C 55.022 0.000 1 819 . 85 LYS HA H 5.019 0.000 1 820 . 85 LYS CB C 37.986 0.000 1 821 . 85 LYS HB2 H 1.441 0.000 1 822 . 85 LYS HB3 H 1.537 0.000 1 823 . 85 LYS CG C 24.861 0.000 1 824 . 85 LYS HG2 H 1.212 0.000 1 825 . 85 LYS HG3 H 1.359 0.000 1 826 . 85 LYS CD C 29.549 0.000 1 827 . 85 LYS HD2 H 1.453 0.000 1 828 . 85 LYS HD3 H 1.524 0.000 1 829 . 85 LYS CE C 42.049 0.000 1 830 . 85 LYS HE2 H 2.951 0.000 1 831 . 85 LYS HE3 H 2.951 0.000 1 832 . 86 TYR N N 121.253 0.000 1 833 . 86 TYR H H 8.213 0.000 1 834 . 86 TYR CA C 56.740 0.000 1 835 . 86 TYR HA H 4.457 0.000 1 836 . 86 TYR CB C 40.018 0.000 1 837 . 86 TYR HB2 H 1.685 0.000 1 838 . 86 TYR HB3 H 2.354 0.000 1 839 . 86 TYR CD1 C 133.155 0.000 1 840 . 86 TYR HD1 H 6.503 0.000 1 841 . 86 TYR CE1 C 116.901 0.000 1 842 . 86 TYR HE1 H 6.711 0.000 1 843 . 86 TYR CE2 C 116.901 0.000 1 844 . 86 TYR HE2 H 6.711 0.000 1 845 . 86 TYR CD2 C 133.155 0.000 1 846 . 86 TYR HD2 H 6.503 0.000 1 847 . 86 TYR C C 174.480 0.000 1 848 . 87 LYS N N 127.056 0.053 1 849 . 87 LYS H H 9.248 0.011 1 850 . 87 LYS CA C 58.147 0.062 1 851 . 87 LYS HA H 3.603 0.000 1 852 . 87 LYS CB C 29.393 0.000 1 853 . 87 LYS HB2 H 1.676 0.000 1 854 . 87 LYS HB3 H 1.842 0.000 1 855 . 87 LYS CG C 25.188 0.000 1 856 . 87 LYS HG2 H 0.569 0.000 1 857 . 87 LYS HG3 H 0.944 0.000 1 858 . 87 LYS CD C 29.236 0.000 1 859 . 87 LYS HD2 H 1.480 0.000 1 860 . 87 LYS HD3 H 1.574 0.000 1 861 . 87 LYS CE C 42.205 0.000 1 862 . 87 LYS HE2 H 2.848 0.000 1 863 . 87 LYS HE3 H 2.901 0.000 1 864 . 87 LYS C C 176.030 0.000 1 865 . 88 GLU N N 115.398 0.038 1 866 . 88 GLU H H 8.411 0.005 1 867 . 88 GLU CA C 56.897 0.000 1 868 . 88 GLU HA H 4.135 0.000 1 869 . 88 GLU CB C 28.611 0.000 1 870 . 88 GLU HB2 H 2.130 0.000 1 871 . 88 GLU HB3 H 2.310 0.000 1 872 . 88 GLU CG C 36.111 0.000 1 873 . 88 GLU HG2 H 2.174 0.000 1 874 . 88 GLU HG3 H 2.265 0.000 1 875 . 88 GLU C C 175.733 0.000 1 876 . 89 THR N N 119.538 0.050 1 877 . 89 THR H H 8.360 0.013 1 878 . 89 THR CA C 62.475 0.000 1 879 . 89 THR HA H 4.369 0.000 1 880 . 89 THR CB C 70.178 0.000 1 881 . 89 THR HB H 4.218 0.000 1 882 . 89 THR CG2 C 21.636 0.000 1 883 . 89 THR HG2 H 1.276 0.000 1 884 . 89 THR C C 173.380 0.000 1 885 . 90 ASP N N 126.181 0.072 1 886 . 90 ASP H H 8.523 0.010 1 887 . 90 ASP CA C 55.490 0.000 1 888 . 90 ASP HA H 4.456 0.000 1 889 . 90 ASP CB C 41.236 0.000 1 890 . 90 ASP HB2 H 2.482 0.000 1 891 . 90 ASP HB3 H 2.615 0.000 1 892 . 90 ASP C C 175.090 0.000 1 893 . 91 LEU N N 120.806 0.053 1 894 . 91 LEU H H 7.628 0.015 1 895 . 91 LEU CA C 52.834 0.000 1 896 . 91 LEU HA H 4.621 0.000 1 897 . 91 LEU CB C 43.768 0.000 1 898 . 91 LEU HB2 H 1.304 0.000 1 899 . 91 LEU HB3 H 0.837 0.000 1 900 . 91 LEU CG C 25.983 0.000 1 901 . 91 LEU HG H 1.300 0.000 1 902 . 91 LEU CD1 C 20.330 0.000 1 903 . 91 LEU HD1 H -0.347 0.000 1 904 . 91 LEU CD2 C 27.600 0.000 1 905 . 91 LEU HD2 H 0.101 0.000 1 906 . 91 LEU C C 176.180 0.000 1 907 . 92 LEU N N 125.556 0.053 1 908 . 92 LEU H H 8.472 0.010 1 909 . 92 LEU CA C 53.928 0.000 1 910 . 92 LEU HA H 4.632 0.000 1 911 . 92 LEU CB C 43.455 0.000 1 912 . 92 LEU HB2 H 1.765 0.000 1 913 . 92 LEU HB3 H 1.513 0.000 1 914 . 92 LEU CG C 27.798 0.000 1 915 . 92 LEU HG H 1.549 0.000 1 916 . 92 LEU CD1 C 23.299 0.000 1 917 . 92 LEU HD1 H 1.031 0.000 1 918 . 92 LEU CD2 C 25.955 0.000 1 919 . 92 LEU HD2 H 1.069 0.000 1 920 . 92 LEU C C 174.430 0.000 1 921 . 93 ILE N N 127.306 0.053 1 922 . 93 ILE H H 8.442 0.010 1 923 . 93 ILE CA C 60.178 0.000 1 924 . 93 ILE HA H 5.113 0.000 1 925 . 93 ILE CB C 40.510 0.000 1 926 . 93 ILE HB H 1.710 0.000 1 927 . 93 ILE CG2 C 20.027 0.000 1 928 . 93 ILE HG2 H 0.781 0.000 1 929 . 93 ILE CG1 C 28.611 0.000 1 930 . 93 ILE HG12 H 0.985 0.000 1 931 . 93 ILE HG13 H 1.394 0.000 1 932 . 93 ILE CD1 C 14.705 0.000 1 933 . 93 ILE HD1 H 0.674 0.000 1 934 . 93 ILE C C 174.900 0.000 1 935 . 94 LEU N N 126.056 0.053 1 936 . 94 LEU H H 9.211 0.018 1 937 . 94 LEU CA C 52.834 0.000 1 938 . 94 LEU HA H 5.079 0.000 1 939 . 94 LEU CB C 48.611 0.000 1 940 . 94 LEU HB2 H 1.990 0.000 1 941 . 94 LEU HB3 H 1.706 0.000 1 942 . 94 LEU CG C 27.049 0.000 1 943 . 94 LEU HG H 1.732 0.000 1 944 . 94 LEU CD1 C 26.302 0.000 1 945 . 94 LEU HD1 H 0.969 0.000 1 946 . 94 LEU CD2 C 24.074 0.000 1 947 . 94 LEU HD2 H 1.153 0.000 1 948 . 94 LEU C C 177.360 0.000 1 949 . 95 PHE N N 121.003 0.000 1 950 . 95 PHE H H 9.827 0.000 1 951 . 95 PHE CA C 62.209 0.000 1 952 . 95 PHE HA H 4.712 0.000 1 953 . 95 PHE CB C 37.986 0.000 1 954 . 95 PHE HB2 H 3.094 0.000 1 955 . 95 PHE HB3 H 3.810 0.000 1 956 . 95 PHE CD1 C 132.093 0.000 1 957 . 95 PHE HD1 H 7.690 0.000 1 958 . 95 PHE CE1 C 131.280 0.000 1 959 . 95 PHE HE1 H 7.438 0.000 1 960 . 95 PHE CZ C 128.464 0.000 1 961 . 95 PHE HZ H 7.065 0.000 1 962 . 95 PHE CE2 C 131.280 0.000 1 963 . 95 PHE HE2 H 7.438 0.000 1 964 . 95 PHE CD2 C 132.093 0.000 1 965 . 95 PHE HD2 H 7.690 0.000 1 966 . 95 PHE C C 178.030 0.000 1 967 . 96 LYS N N 125.431 0.072 1 968 . 96 LYS H H 9.181 0.011 1 969 . 96 LYS CA C 61.272 0.000 1 970 . 96 LYS HA H 3.971 0.000 1 971 . 96 LYS CB C 33.299 0.000 1 972 . 96 LYS HB2 H 1.508 0.000 1 973 . 96 LYS HB3 H 2.035 0.000 1 974 . 96 LYS CG C 25.486 0.000 1 975 . 96 LYS HG2 H 1.160 0.000 1 976 . 96 LYS HG3 H 1.395 0.000 1 977 . 96 LYS CD C 30.643 0.000 1 978 . 96 LYS HD2 H 1.096 0.000 1 979 . 96 LYS HD3 H 1.523 0.000 1 980 . 96 LYS CE C 41.711 0.000 1 981 . 96 LYS HE2 H 2.775 0.000 1 982 . 96 LYS HE3 H 2.990 0.000 1 983 . 96 LYS C C 177.390 0.000 1 984 . 97 ASP N N 116.306 0.053 1 985 . 97 ASP H H 9.602 0.014 1 986 . 97 ASP CA C 57.209 0.000 1 987 . 97 ASP HA H 4.646 0.000 1 988 . 97 ASP CB C 40.330 0.000 1 989 . 97 ASP HB2 H 2.653 0.000 1 990 . 97 ASP HB3 H 2.701 0.000 1 991 . 97 ASP C C 178.960 0.000 1 992 . 98 ASP N N 120.556 0.053 1 993 . 98 ASP H H 7.271 0.018 1 994 . 98 ASP CA C 56.584 0.000 1 995 . 98 ASP HA H 4.681 0.000 1 996 . 98 ASP CB C 40.955 0.000 1 997 . 98 ASP HB2 H 2.925 0.000 1 998 . 98 ASP HB3 H 3.076 0.000 1 999 . 98 ASP C C 178.070 0.000 1 1000 . 99 TYR N N 121.681 0.072 1 1001 . 99 TYR H H 8.115 0.013 1 1002 . 99 TYR CA C 60.803 0.000 1 1003 . 99 TYR HA H 3.950 0.000 1 1004 . 99 TYR CB C 36.736 0.000 1 1005 . 99 TYR HB2 H 2.553 0.000 1 1006 . 99 TYR HB3 H 3.078 0.000 1 1007 . 99 TYR CD1 C 131.593 0.000 1 1008 . 99 TYR HD1 H 6.032 0.000 1 1009 . 99 TYR CE1 C 117.481 0.000 1 1010 . 99 TYR HE1 H 6.351 0.000 1 1011 . 99 TYR CE2 C 117.481 0.000 1 1012 . 99 TYR HE2 H 6.351 0.000 1 1013 . 99 TYR CD2 C 131.593 0.000 1 1014 . 99 TYR HD2 H 6.032 0.000 1 1015 . 99 TYR C C 176.930 0.000 1 1016 . 100 PHE N N 117.056 0.053 1 1017 . 100 PHE H H 7.920 0.019 1 1018 . 100 PHE CA C 60.803 0.000 1 1019 . 100 PHE HA H 3.865 0.000 1 1020 . 100 PHE CB C 38.299 0.000 1 1021 . 100 PHE HB2 H 3.011 0.000 1 1022 . 100 PHE HB3 H 3.169 0.000 1 1023 . 100 PHE CD1 C 130.811 0.000 1 1024 . 100 PHE HD1 H 7.400 0.000 1 1025 . 100 PHE CD2 C 130.811 0.000 1 1026 . 100 PHE HD2 H 7.400 0.000 1 1027 . 100 PHE C C 178.033 0.000 1 1028 . 101 ALA N N 122.556 0.053 1 1029 . 101 ALA H H 8.020 0.015 1 1030 . 101 ALA CA C 54.709 0.000 1 1031 . 101 ALA HA H 4.205 0.000 1 1032 . 101 ALA CB C 18.142 0.000 1 1033 . 101 ALA HB H 1.601 0.000 1 1034 . 101 ALA C C 180.080 0.000 1 1035 . 102 LYS N N 118.931 0.072 1 1036 . 102 LYS H H 7.873 0.014 1 1037 . 102 LYS CA C 57.990 0.000 1 1038 . 102 LYS HA H 4.090 0.000 1 1039 . 102 LYS CB C 32.361 0.000 1 1040 . 102 LYS HB2 H 1.807 0.000 1 1041 . 102 LYS HB3 H 1.873 0.000 1 1042 . 102 LYS CG C 25.018 0.000 1 1043 . 102 LYS HG2 H 1.430 0.000 1 1044 . 102 LYS HG3 H 1.559 0.000 1 1045 . 102 LYS CD C 28.957 0.000 1 1046 . 102 LYS HD2 H 1.640 0.000 1 1047 . 102 LYS HD3 H 1.640 0.000 1 1048 . 102 LYS C C 178.690 0.000 1 1049 . 103 LYS N N 119.931 0.072 1 1050 . 103 LYS H H 7.809 0.020 1 1051 . 103 LYS CA C 57.053 0.000 1 1052 . 103 LYS HA H 3.991 0.000 1 1053 . 103 LYS CB C 31.459 0.000 1 1054 . 103 LYS HB2 H 1.571 0.000 1 1055 . 103 LYS HB3 H 1.649 0.000 1 1056 . 103 LYS CG C 23.601 0.000 1 1057 . 103 LYS HG2 H 1.127 0.000 1 1058 . 103 LYS HG3 H 1.127 0.000 1 1059 . 103 LYS CD C 27.966 0.000 1 1060 . 103 LYS HD2 H 1.484 0.000 1 1061 . 103 LYS HD3 H 1.484 0.000 1 1062 . 103 LYS C C 178.230 0.000 1 1063 . 104 ASN N N 117.806 0.053 1 1064 . 104 ASN H H 8.089 0.017 1 1065 . 104 ASN CA C 54.397 0.000 1 1066 . 104 ASN HA H 4.577 0.000 1 1067 . 104 ASN CB C 38.455 0.000 1 1068 . 104 ASN HB2 H 2.827 0.000 1 1069 . 104 ASN HB3 H 2.865 0.000 1 1070 . 104 ASN C C 176.553 0.000 1 1071 . 105 GLU N N 120.431 0.072 1 1072 . 105 GLU H H 7.939 0.015 1 1073 . 105 GLU CA C 57.365 0.000 1 1074 . 105 GLU HA H 4.178 0.000 1 1075 . 105 GLU CB C 29.705 0.000 1 1076 . 105 GLU HB2 H 2.071 0.000 1 1077 . 105 GLU HB3 H 2.122 0.000 1 1078 . 105 GLU CG C 35.955 0.000 1 1079 . 105 GLU HG2 H 2.312 0.000 1 1080 . 105 GLU HG3 H 2.312 0.000 1 1081 . 105 GLU C C 177.630 0.000 1 1082 . 106 GLU N N 120.431 0.072 1 1083 . 106 GLU H H 8.077 0.018 1 1084 . 106 GLU CA C 57.365 0.000 1 1085 . 106 GLU HA H 4.153 0.000 1 1086 . 106 GLU CB C 29.849 0.000 1 1087 . 106 GLU HB2 H 2.065 0.000 1 1088 . 106 GLU HB3 H 2.065 0.000 1 1089 . 106 GLU CG C 36.111 0.000 1 1090 . 106 GLU HG2 H 2.258 0.000 1 1091 . 106 GLU HG3 H 2.408 0.000 1 1092 . 106 GLU C C 177.440 0.000 1 1093 . 107 ARG N N 120.181 0.072 1 1094 . 107 ARG H H 8.021 0.013 1 1095 . 107 ARG CA C 56.584 0.000 1 1096 . 107 ARG HA H 4.256 0.000 1 1097 . 107 ARG CB C 30.199 0.000 1 1098 . 107 ARG HB2 H 1.853 0.000 1 1099 . 107 ARG HB3 H 1.912 0.000 1 1100 . 107 ARG CG C 27.214 0.000 1 1101 . 107 ARG HG2 H 1.658 0.000 1 1102 . 107 ARG HG3 H 1.728 0.000 1 1103 . 107 ARG CD C 43.309 0.000 1 1104 . 107 ARG HD2 H 3.225 0.000 1 1105 . 107 ARG HD3 H 3.225 0.000 1 1106 . 107 ARG C C 177.030 0.000 1 1107 . 108 LYS N N 121.181 0.072 1 1108 . 108 LYS H H 8.043 0.010 1 1109 . 108 LYS CA C 56.740 0.000 1 1110 . 108 LYS HA H 4.255 0.000 1 1111 . 108 LYS CB C 32.674 0.000 1 1112 . 108 LYS HB2 H 1.815 0.000 1 1113 . 108 LYS HB3 H 1.897 0.000 1 1114 . 108 LYS CG C 24.705 0.000 1 1115 . 108 LYS HG2 H 1.438 0.000 1 1116 . 108 LYS HG3 H 1.525 0.000 1 1117 . 108 LYS CD C 28.924 0.000 1 1118 . 108 LYS HD2 H 1.692 0.000 1 1119 . 108 LYS HD3 H 1.692 0.000 1 1120 . 108 LYS CE C 42.049 0.000 1 1121 . 108 LYS HE2 H 2.992 0.000 1 1122 . 108 LYS HE3 H 2.992 0.000 1 1123 . 108 LYS C C 176.980 0.000 1 1124 . 109 GLN N N 119.806 0.053 1 1125 . 109 GLN H H 8.197 0.015 1 1126 . 109 GLN CA C 55.647 0.000 1 1127 . 109 GLN HA H 4.319 0.000 1 1128 . 109 GLN CB C 29.236 0.000 1 1129 . 109 GLN HB2 H 2.031 0.000 1 1130 . 109 GLN HB3 H 2.143 0.000 1 1131 . 109 GLN CG C 33.611 0.000 1 1132 . 109 GLN HG2 H 2.414 0.000 1 1133 . 109 GLN HG3 H 2.414 0.000 1 1134 . 109 GLN C C 175.730 0.000 1 1135 . 110 ASN N N 119.431 0.072 1 1136 . 110 ASN H H 8.326 0.015 1 1137 . 110 ASN CA C 53.281 0.000 1 1138 . 110 ASN HA H 4.764 0.000 1 1139 . 110 ASN CB C 38.768 0.000 1 1140 . 110 ASN HB2 H 2.760 0.000 1 1141 . 110 ASN HB3 H 2.854 0.000 1 1142 . 110 ASN C C 177.374 0.000 1 1143 . 111 LYS N N 121.806 0.053 1 1144 . 111 LYS H H 8.223 0.015 1 1145 . 111 LYS CA C 55.959 0.000 1 1146 . 111 LYS HA H 4.360 0.000 1 1147 . 111 LYS CB C 33.126 0.000 1 1148 . 111 LYS HB2 H 1.776 0.000 1 1149 . 111 LYS HB3 H 1.847 0.000 1 1150 . 111 LYS CG C 24.561 0.000 1 1151 . 111 LYS HG2 H 1.383 0.000 1 1152 . 111 LYS HG3 H 1.424 0.000 1 1153 . 111 LYS CD C 28.611 0.000 1 1154 . 111 LYS HD2 H 1.711 0.000 1 1155 . 111 LYS HD3 H 1.853 0.000 1 1156 . 111 LYS C C 176.140 0.000 1 1157 . 112 VAL N N 122.681 0.072 1 1158 . 112 VAL H H 8.271 0.013 1 1159 . 112 VAL CA C 62.053 0.000 1 1160 . 112 VAL HA H 4.147 0.000 1 1161 . 112 VAL CB C 32.662 0.000 1 1162 . 112 VAL HB H 2.097 0.000 1 1163 . 112 VAL CG1 C 20.159 0.000 1 1164 . 112 VAL HG1 H 0.941 0.000 1 1165 . 112 VAL CG2 C 21.315 0.000 1 1166 . 112 VAL HG2 H 0.937 0.000 1 1167 . 112 VAL C C 175.250 0.000 1 1168 . 113 GLU N N 129.657 0.068 1 1169 . 113 GLU H H 8.035 0.014 1 1170 . 113 GLU CA C 57.522 0.000 1 1171 . 113 GLU HA H 4.160 0.000 1 1172 . 113 GLU CB C 31.096 0.000 1 1173 . 113 GLU HB2 H 1.906 0.000 1 1174 . 113 GLU HB3 H 2.036 0.000 1 1175 . 113 GLU CG C 36.268 0.000 1 1176 . 113 GLU HG2 H 2.225 0.000 1 1177 . 113 GLU HG3 H 2.225 0.000 1 stop_ save_