data_6643 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human prolactin ; _BMRB_accession_number 6643 _BMRB_flat_file_name bmr6643.str _Entry_type original _Submission_date 2005-05-23 _Accession_date 2005-05-23 _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 Teilum Kaare . . 2 Hoch Jeffery C. . 3 Goffin Vincent . . 4 Kinet Sandrina . . 5 Martial Joseph A. . 6 Kragelund Birthe B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 874 "13C chemical shifts" 719 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-16 original author . stop_ _Original_release_date 2005-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Human Prolactin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16045928 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Teilum Kaare . . 2 Hoch Jeffery C. . 3 Goffin Vincent . . 4 Kinet Sandrina . . 5 Martial Joseph A. . 6 Kragelund Birthe B. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 351 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 810 _Page_last 823 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human prolactin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label . $hPRL stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hPRL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human prolactin' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; LPICPGGAARCQVTLRDLFD RAVVLSHYIHNLSSEMFSEF DKRYTHGRGFITKAINSCHT SSLATPEDKEQAQQMNQKDF LSLIVSILRSWNEPLYHLVT EVRGMQEAPEAILSKAVEIE EQTKRLLEGMELIVSQVHPE TKENEIYPVWSGLPSLQMAD EESRLSAYYNLLHCLRRDSH KIDNYLKLLKCRIIHNNNC ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 PRO 3 ILE 4 CYS 5 PRO 6 GLY 7 GLY 8 ALA 9 ALA 10 ARG 11 CYS 12 GLN 13 VAL 14 THR 15 LEU 16 ARG 17 ASP 18 LEU 19 PHE 20 ASP 21 ARG 22 ALA 23 VAL 24 VAL 25 LEU 26 SER 27 HIS 28 TYR 29 ILE 30 HIS 31 ASN 32 LEU 33 SER 34 SER 35 GLU 36 MET 37 PHE 38 SER 39 GLU 40 PHE 41 ASP 42 LYS 43 ARG 44 TYR 45 THR 46 HIS 47 GLY 48 ARG 49 GLY 50 PHE 51 ILE 52 THR 53 LYS 54 ALA 55 ILE 56 ASN 57 SER 58 CYS 59 HIS 60 THR 61 SER 62 SER 63 LEU 64 ALA 65 THR 66 PRO 67 GLU 68 ASP 69 LYS 70 GLU 71 GLN 72 ALA 73 GLN 74 GLN 75 MET 76 ASN 77 GLN 78 LYS 79 ASP 80 PHE 81 LEU 82 SER 83 LEU 84 ILE 85 VAL 86 SER 87 ILE 88 LEU 89 ARG 90 SER 91 TRP 92 ASN 93 GLU 94 PRO 95 LEU 96 TYR 97 HIS 98 LEU 99 VAL 100 THR 101 GLU 102 VAL 103 ARG 104 GLY 105 MET 106 GLN 107 GLU 108 ALA 109 PRO 110 GLU 111 ALA 112 ILE 113 LEU 114 SER 115 LYS 116 ALA 117 VAL 118 GLU 119 ILE 120 GLU 121 GLU 122 GLN 123 THR 124 LYS 125 ARG 126 LEU 127 LEU 128 GLU 129 GLY 130 MET 131 GLU 132 LEU 133 ILE 134 VAL 135 SER 136 GLN 137 VAL 138 HIS 139 PRO 140 GLU 141 THR 142 LYS 143 GLU 144 ASN 145 GLU 146 ILE 147 TYR 148 PRO 149 VAL 150 TRP 151 SER 152 GLY 153 LEU 154 PRO 155 SER 156 LEU 157 GLN 158 MET 159 ALA 160 ASP 161 GLU 162 GLU 163 SER 164 ARG 165 LEU 166 SER 167 ALA 168 TYR 169 TYR 170 ASN 171 LEU 172 LEU 173 HIS 174 CYS 175 LEU 176 ARG 177 ARG 178 ASP 179 SER 180 HIS 181 LYS 182 ILE 183 ASP 184 ASN 185 TYR 186 LEU 187 LYS 188 LEU 189 LEU 190 LYS 191 CYS 192 ARG 193 ILE 194 ILE 195 HIS 196 ASN 197 ASN 198 ASN 199 CYS 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 15773 hPrl 100.00 199 100.00 100.00 1.02e-145 BMRB 5599 hPrl 100.00 199 100.00 100.00 1.02e-145 PDB 1RW5 "Solution Structure Of Human Prolactin" 100.00 199 100.00 100.00 1.02e-145 PDB 2Q98 "X-Ray Structure Of A Prolactin Antagonist" 95.48 191 98.95 98.95 2.21e-135 PDB 3D48 "Crystal Structure Of A Prolactin Receptor Antagonist Bound To The Extracellular Domain Of The Prolactin Receptor" 93.97 188 99.47 99.47 9.03e-134 PDB 3MZG "Crystal Structure Of A Human Prolactin Receptor Antagonist In Complex With The Extracellular Domain Of The Human Prolactin Rece" 92.96 186 99.46 99.46 4.31e-132 PDB 3N06 "A Mutant Human Prolactin Receptor Antagonist H27a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" 92.96 186 98.92 98.92 5.45e-131 PDB 3N0P "A Mutant Human Prolactin Receptor Antagonist H30a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" 92.96 186 98.92 98.92 5.45e-131 PDB 3NCB "A Mutant Human Prolactin Receptor Antagonist H180a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" 92.96 186 98.92 98.92 5.45e-131 PDB 3NCC "A Human Prolactin Receptor Antagonist In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin Receptor" 92.96 186 99.46 99.46 4.31e-132 PDB 3NCE "A Mutant Human Prolactin Receptor Antagonist H27a In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin " 92.96 186 98.92 98.92 5.45e-131 PDB 3NCF "A Mutant Human Prolactin Receptor Antagonist H30a In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin " 92.96 186 98.92 98.92 5.45e-131 PDB 3NPZ "Prolactin Receptor (Prlr) Complexed With The Natural Hormone (Prl)" 100.00 199 100.00 100.00 1.02e-145 DBJ BAA00312 "prolactin PRL precursor [Homo sapiens]" 100.00 217 98.99 99.50 5.01e-144 DBJ BAI46568 "prolactin [synthetic construct]" 100.00 227 100.00 100.00 3.23e-145 EMBL CAA23829 "prolactin [Homo sapiens]" 100.00 227 100.00 100.00 3.23e-145 EMBL CAA25214 "prolactin [Homo sapiens]" 100.00 217 100.00 100.00 1.01e-145 EMBL CAA38264 "prolactin [Homo sapiens]" 100.00 220 100.00 100.00 1.11e-145 GB AAA18471 "prolactin [Macaca mulatta]" 100.00 227 97.99 99.50 1.12e-142 GB AAA60173 "prolactin, partial [Homo sapiens]" 100.00 217 99.50 99.50 1.66e-144 GB AAB70858 "preprolactin, partial [Homo sapiens]" 86.93 191 98.84 98.84 2.01e-122 GB AAH15850 "Prolactin [Homo sapiens]" 100.00 227 100.00 100.00 3.23e-145 GB AAH88370 "Prolactin [Homo sapiens]" 100.00 228 100.00 100.00 2.44e-145 PRF 1005222A prolactin 100.00 217 100.00 100.00 1.01e-145 REF NP_000939 "prolactin precursor [Homo sapiens]" 100.00 227 100.00 100.00 3.23e-145 REF NP_001040593 "prolactin precursor [Macaca mulatta]" 100.00 227 97.99 99.50 1.12e-142 REF NP_001157030 "prolactin precursor [Homo sapiens]" 100.00 227 100.00 100.00 3.23e-145 REF XP_002816520 "PREDICTED: prolactin [Pongo abelii]" 100.00 227 98.99 99.50 2.35e-143 REF XP_003263607 "PREDICTED: prolactin [Nomascus leucogenys]" 100.00 227 99.50 100.00 2.12e-144 SP P01236 "RecName: Full=Prolactin; Short=PRL; Flags: Precursor [Homo sapiens]" 100.00 227 100.00 100.00 3.23e-145 SP P55151 "RecName: Full=Prolactin; Short=PRL; Flags: Precursor [Macaca mulatta]" 100.00 227 97.99 99.50 1.12e-142 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hPRL 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 $hPRL '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 $hPRL 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_C13-NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name C13-NOESY-HSQC _Sample_label $sample_1 save_ save_N15-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name N15-NOESY-HSQC _Sample_label $sample_1 save_ save_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8 0.1 pH temperature 310 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 external direct . . . 1 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name . _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 LEU HA H 4.62 0.03 1 2 1 1 LEU HB2 H 1.60 0.03 2 3 1 1 LEU HG H 1.71 0.03 1 4 1 1 LEU HD1 H 0.95 0.03 2 5 1 1 LEU HD2 H 0.93 0.03 2 6 1 1 LEU CA C 52.90 0.40 1 7 1 1 LEU CB C 41.94 0.40 1 8 1 1 LEU CG C 27.17 0.40 1 9 1 1 LEU CD1 C 25.34 0.40 2 10 1 1 LEU CD2 C 23.69 0.40 2 11 2 2 PRO HA H 4.49 0.03 1 12 2 2 PRO HB2 H 1.92 0.03 2 13 2 2 PRO HB3 H 2.25 0.03 2 14 2 2 PRO HG2 H 2.03 0.03 2 15 2 2 PRO HD2 H 3.64 0.03 2 16 2 2 PRO HD3 H 3.83 0.03 2 17 2 2 PRO C C 176.33 0.40 1 18 2 2 PRO CA C 62.81 0.40 1 19 2 2 PRO CB C 31.88 0.40 1 20 2 2 PRO CG C 27.52 0.40 1 21 2 2 PRO CD C 50.53 0.40 1 22 3 3 ILE H H 8.12 0.03 1 23 3 3 ILE HA H 4.09 0.03 1 24 3 3 ILE HB H 1.83 0.03 1 25 3 3 ILE HG12 H 1.53 0.03 2 26 3 3 ILE HG13 H 1.17 0.03 2 27 3 3 ILE HG2 H 0.90 0.03 1 28 3 3 ILE HD1 H 0.86 0.03 1 29 3 3 ILE C C 175.91 0.40 1 30 3 3 ILE CA C 61.64 0.40 1 31 3 3 ILE CB C 38.76 0.40 1 32 3 3 ILE CG1 C 27.41 0.40 1 33 3 3 ILE CG2 C 17.66 0.40 1 34 3 3 ILE CD1 C 13.04 0.40 1 35 3 3 ILE N N 119.95 0.10 1 36 4 4 CYS HA H 5.03 0.03 1 37 4 4 CYS HB2 H 3.01 0.03 2 38 4 4 CYS HB3 H 3.13 0.03 2 39 4 4 CYS CA C 52.88 0.40 1 40 4 4 CYS CB C 41.20 0.40 1 41 5 5 PRO HA H 4.42 0.03 1 42 5 5 PRO HB2 H 1.98 0.03 2 43 5 5 PRO HB3 H 2.30 0.03 2 44 5 5 PRO HG2 H 2.02 0.03 2 45 5 5 PRO HG3 H 2.10 0.03 2 46 5 5 PRO HD2 H 3.72 0.03 2 47 5 5 PRO HD3 H 3.83 0.03 2 48 5 5 PRO CA C 63.65 0.40 1 49 5 5 PRO CB C 31.93 0.40 1 50 5 5 PRO CG C 27.50 0.40 1 51 5 5 PRO CD C 50.72 0.40 1 52 6 6 GLY HA2 H 4.00 0.03 2 53 6 6 GLY HA3 H 3.90 0.03 2 54 6 6 GLY CA C 45.59 0.40 1 55 7 7 GLY HA2 H 4.15 0.03 2 56 7 7 GLY HA3 H 3.81 0.03 2 57 7 7 GLY CA C 45.16 0.40 1 58 8 8 ALA HA H 4.23 0.03 1 59 8 8 ALA HB H 1.45 0.03 1 60 8 8 ALA CA C 53.04 0.40 1 61 8 8 ALA CB C 19.06 0.40 1 62 9 9 ALA HA H 4.38 0.03 1 63 9 9 ALA HB H 1.42 0.03 1 64 9 9 ALA CA C 52.52 0.40 1 65 9 9 ALA CB C 19.18 0.40 1 66 10 10 ARG HA H 4.42 0.03 1 67 10 10 ARG HB2 H 1.90 0.03 2 68 10 10 ARG HB3 H 1.77 0.03 2 69 10 10 ARG HG2 H 1.61 0.03 2 70 10 10 ARG HG3 H 1.59 0.03 2 71 10 10 ARG HD2 H 3.21 0.03 2 72 10 10 ARG CA C 55.72 0.40 1 73 10 10 ARG CB C 30.77 0.40 1 74 10 10 ARG CG C 27.11 0.40 1 75 10 10 ARG CD C 43.29 0.40 1 76 11 11 CYS HA H 4.75 0.03 1 77 11 11 CYS HB2 H 3.19 0.03 2 78 11 11 CYS HB3 H 3.28 0.03 2 79 11 11 CYS CA C 55.76 0.40 1 80 11 11 CYS CB C 40.83 0.40 1 81 12 12 GLN HA H 4.40 0.03 1 82 12 12 GLN HB2 H 2.02 0.03 2 83 12 12 GLN HB3 H 2.12 0.03 2 84 12 12 GLN HG2 H 2.36 0.03 2 85 12 12 GLN CA C 56.22 0.40 1 86 12 12 GLN CB C 29.31 0.40 1 87 12 12 GLN CG C 33.89 0.40 1 88 13 13 VAL HA H 4.35 0.03 1 89 13 13 VAL HB H 2.09 0.03 1 90 13 13 VAL HG1 H 0.97 0.03 2 91 13 13 VAL CA C 61.76 0.40 1 92 13 13 VAL CB C 33.33 0.40 1 93 13 13 VAL CG1 C 21.28 0.40 2 94 14 14 THR HB H 4.21 0.03 1 95 14 14 THR HG2 H 1.17 0.03 1 96 14 14 THR CB C 69.13 0.40 1 97 14 14 THR CG2 C 21.90 0.40 1 98 16 16 ARG H H 8.31 0.03 1 99 16 16 ARG HA H 3.92 0.03 1 100 16 16 ARG HB2 H 1.84 0.03 2 101 16 16 ARG HG2 H 1.66 0.03 2 102 16 16 ARG HD2 H 3.20 0.03 2 103 16 16 ARG C C 177.70 0.40 1 104 16 16 ARG CA C 60.15 0.40 1 105 16 16 ARG CB C 29.81 0.40 1 106 16 16 ARG CG C 27.26 0.40 1 107 16 16 ARG CD C 43.44 0.40 1 108 16 16 ARG N N 118.04 0.10 1 109 17 17 ASP H H 7.61 0.03 1 110 17 17 ASP HA H 4.44 0.03 1 111 17 17 ASP HB2 H 2.69 0.03 2 112 17 17 ASP HB3 H 2.94 0.03 2 113 17 17 ASP C C 179.19 0.40 1 114 17 17 ASP CA C 57.64 0.40 1 115 17 17 ASP CB C 40.56 0.40 1 116 17 17 ASP N N 118.97 0.10 1 117 18 18 LEU H H 8.15 0.03 1 118 18 18 LEU HA H 3.97 0.03 1 119 18 18 LEU HB2 H 1.98 0.03 2 120 18 18 LEU HG H 1.22 0.03 1 121 18 18 LEU C C 180.03 0.40 1 122 18 18 LEU CA C 58.18 0.40 1 123 18 18 LEU CB C 42.17 0.40 1 124 18 18 LEU N N 119.42 0.10 1 125 19 19 PHE H H 8.57 0.03 1 126 19 19 PHE HA H 4.08 0.03 1 127 19 19 PHE HB2 H 3.13 0.03 2 128 19 19 PHE HB3 H 2.91 0.03 2 129 19 19 PHE HD1 H 7.13 0.03 3 130 19 19 PHE HE1 H 7.25 0.03 3 131 19 19 PHE C C 177.92 0.40 1 132 19 19 PHE CA C 63.18 0.40 1 133 19 19 PHE CB C 39.26 0.40 1 134 19 19 PHE CD1 C 130.76 0.40 3 135 19 19 PHE CE1 C 130.93 0.40 3 136 19 19 PHE N N 118.87 0.10 1 137 20 20 ASP H H 8.44 0.03 1 138 20 20 ASP HA H 4.50 0.03 1 139 20 20 ASP HB2 H 2.70 0.03 2 140 20 20 ASP HB3 H 2.93 0.03 2 141 20 20 ASP C C 179.07 0.40 1 142 20 20 ASP CA C 57.66 0.40 1 143 20 20 ASP CB C 40.37 0.40 1 144 20 20 ASP N N 119.68 0.10 1 145 21 21 ARG H H 7.83 0.03 1 146 21 21 ARG HA H 4.44 0.03 1 147 21 21 ARG HB2 H 2.30 0.03 2 148 21 21 ARG HB3 H 1.92 0.03 2 149 21 21 ARG C C 178.49 0.40 1 150 21 21 ARG CA C 58.64 0.40 1 151 21 21 ARG CB C 30.32 0.40 1 152 21 21 ARG N N 117.89 0.10 1 153 22 22 ALA H H 8.17 0.03 1 154 22 22 ALA HA H 4.02 0.03 1 155 22 22 ALA HB H 1.40 0.03 1 156 22 22 ALA C C 178.71 0.40 1 157 22 22 ALA CA C 55.58 0.40 1 158 22 22 ALA CB C 18.28 0.40 1 159 22 22 ALA N N 122.06 0.10 1 160 23 23 VAL H H 8.04 0.03 1 161 23 23 VAL HA H 4.57 0.03 1 162 23 23 VAL HB H 2.36 0.03 1 163 23 23 VAL HG1 H 1.08 0.03 2 164 23 23 VAL HG2 H 1.18 0.03 2 165 23 23 VAL C C 179.22 0.40 1 166 23 23 VAL CA C 64.34 0.40 1 167 23 23 VAL CB C 31.59 0.40 1 168 23 23 VAL CG1 C 22.05 0.40 2 169 23 23 VAL CG2 C 22.03 0.40 2 170 23 23 VAL N N 113.23 0.10 1 171 24 24 VAL H H 7.45 0.03 1 172 24 24 VAL HA H 3.82 0.03 1 173 24 24 VAL HB H 2.21 0.03 1 174 24 24 VAL HG1 H 0.94 0.03 2 175 24 24 VAL HG2 H 1.08 0.03 2 176 24 24 VAL C C 179.19 0.40 1 177 24 24 VAL CA C 66.53 0.40 1 178 24 24 VAL CB C 31.50 0.40 1 179 24 24 VAL CG1 C 21.44 0.40 2 180 24 24 VAL CG2 C 23.05 0.40 2 181 24 24 VAL N N 122.26 0.10 1 182 25 25 LEU H H 7.87 0.03 1 183 25 25 LEU HA H 4.29 0.03 1 184 25 25 LEU HB2 H 1.53 0.03 2 185 25 25 LEU HB3 H 2.07 0.03 2 186 25 25 LEU HG H 1.83 0.03 1 187 25 25 LEU HD1 H 1.01 0.03 2 188 25 25 LEU HD2 H 0.93 0.03 2 189 25 25 LEU C C 178.99 0.40 1 190 25 25 LEU CA C 58.06 0.40 1 191 25 25 LEU CB C 43.20 0.40 1 192 25 25 LEU CG C 27.31 0.40 1 193 25 25 LEU CD1 C 24.15 0.40 2 194 25 25 LEU CD2 C 24.97 0.40 2 195 25 25 LEU N N 120.27 0.10 1 196 26 26 SER H H 9.37 0.03 1 197 26 26 SER HB2 H 3.90 0.03 2 198 26 26 SER C C 177.97 0.40 1 199 26 26 SER CA C 62.79 0.40 1 200 26 26 SER CB C 61.92 0.40 1 201 26 26 SER N N 116.18 0.10 1 202 27 27 HIS H H 7.96 0.03 1 203 27 27 HIS HA H 4.29 0.03 1 204 27 27 HIS HB2 H 3.60 0.03 2 205 27 27 HIS HB3 H 3.37 0.03 2 206 27 27 HIS HD2 H 7.10 0.03 1 207 27 27 HIS C C 177.48 0.40 1 208 27 27 HIS CA C 60.13 0.40 1 209 27 27 HIS CB C 30.37 0.40 1 210 27 27 HIS N N 125.85 0.10 1 211 28 28 TYR H H 7.97 0.03 1 212 28 28 TYR HA H 4.40 0.03 1 213 28 28 TYR HB2 H 3.33 0.03 2 214 28 28 TYR HB3 H 3.45 0.03 2 215 28 28 TYR HD1 H 7.10 0.03 3 216 28 28 TYR HE1 H 6.81 0.03 3 217 28 28 TYR C C 177.98 0.40 1 218 28 28 TYR CA C 60.31 0.40 1 219 28 28 TYR CB C 38.87 0.40 1 220 28 28 TYR CD1 C 132.43 0.40 3 221 28 28 TYR CE1 C 118.26 0.40 3 222 28 28 TYR N N 120.79 0.10 1 223 29 29 ILE H H 8.93 0.03 1 224 29 29 ILE HA H 3.34 0.03 1 225 29 29 ILE HB H 1.78 0.03 1 226 29 29 ILE HG2 H 0.76 0.03 1 227 29 29 ILE HD1 H 0.77 0.03 1 228 29 29 ILE C C 178.36 0.40 1 229 29 29 ILE CA C 66.26 0.40 1 230 29 29 ILE CB C 38.44 0.40 1 231 29 29 ILE CG2 C 17.04 0.40 1 232 29 29 ILE CD1 C 14.94 0.40 1 233 29 29 ILE N N 118.81 0.10 1 234 30 30 HIS H H 8.25 0.03 1 235 30 30 HIS HA H 4.47 0.03 1 236 30 30 HIS HB2 H 3.22 0.03 2 237 30 30 HIS HB3 H 2.93 0.03 2 238 30 30 HIS HD2 H 6.88 0.03 1 239 30 30 HIS C C 177.92 0.40 1 240 30 30 HIS CA C 59.00 0.40 1 241 30 30 HIS CB C 28.28 0.40 1 242 30 30 HIS N N 120.52 0.10 1 243 31 31 ASN H H 8.21 0.03 1 244 31 31 ASN HA H 4.07 0.03 1 245 31 31 ASN HB2 H 2.71 0.03 2 246 31 31 ASN C C 177.57 0.40 1 247 31 31 ASN CA C 57.00 0.40 1 248 31 31 ASN CB C 38.00 0.40 1 249 31 31 ASN N N 120.81 0.10 1 250 32 32 LEU H H 8.60 0.03 1 251 32 32 LEU HA H 3.92 0.03 1 252 32 32 LEU HB2 H 1.12 0.03 2 253 32 32 LEU HB3 H 1.66 0.03 2 254 32 32 LEU HG H 1.34 0.03 1 255 32 32 LEU HD1 H 0.42 0.03 1 256 32 32 LEU HD2 H 0.74 0.03 1 257 32 32 LEU C C 179.54 0.40 1 258 32 32 LEU CA C 58.15 0.40 1 259 32 32 LEU CB C 43.16 0.40 1 260 32 32 LEU CG C 26.96 0.40 1 261 32 32 LEU CD1 C 25.36 0.40 1 262 32 32 LEU CD2 C 23.46 0.40 1 263 32 32 LEU N N 120.48 0.10 1 264 33 33 SER H H 8.61 0.03 1 265 33 33 SER HA H 3.91 0.03 1 266 33 33 SER HB2 H 3.81 0.03 2 267 33 33 SER HB3 H 3.56 0.03 2 268 33 33 SER CA C 62.49 0.40 1 269 33 33 SER CB C 62.41 0.40 1 270 33 33 SER N N 116.03 0.10 1 271 34 34 SER H H 8.11 0.03 1 272 34 34 SER HB2 H 4.00 0.03 2 273 34 34 SER HB3 H 3.86 0.03 2 274 34 34 SER CA C 62.47 0.40 1 275 34 34 SER CB C 62.50 0.40 1 276 34 34 SER N N 120.68 0.10 1 277 35 35 GLU H H 8.32 0.03 1 278 35 35 GLU HA H 4.13 0.03 1 279 35 35 GLU HB2 H 2.23 0.03 2 280 35 35 GLU HB3 H 2.13 0.03 2 281 35 35 GLU HG2 H 2.47 0.03 2 282 35 35 GLU C C 179.09 0.40 1 283 35 35 GLU CA C 59.39 0.40 1 284 35 35 GLU CB C 29.78 0.40 1 285 35 35 GLU CG C 36.46 0.40 1 286 35 35 GLU N N 123.13 0.10 1 287 36 36 MET H H 8.85 0.03 1 288 36 36 MET HA H 3.92 0.03 1 289 36 36 MET HB2 H 2.03 0.03 2 290 36 36 MET HB3 H 2.26 0.03 2 291 36 36 MET HG2 H 2.50 0.03 2 292 36 36 MET HE H 1.92 0.03 1 293 36 36 MET C C 177.30 0.40 1 294 36 36 MET CA C 60.24 0.40 1 295 36 36 MET CB C 33.66 0.40 1 296 36 36 MET CG C 32.10 0.40 1 297 36 36 MET CE C 17.53 0.40 1 298 36 36 MET N N 119.27 0.10 1 299 37 37 PHE H H 8.04 0.03 1 300 37 37 PHE HA H 4.11 0.03 1 301 37 37 PHE HB2 H 3.21 0.03 2 302 37 37 PHE HB3 H 3.13 0.03 2 303 37 37 PHE HD1 H 7.06 0.03 3 304 37 37 PHE HE1 H 6.97 0.03 3 305 37 37 PHE C C 176.43 0.40 1 306 37 37 PHE CA C 62.21 0.40 1 307 37 37 PHE CB C 39.10 0.40 1 308 37 37 PHE CD1 C 131.16 0.40 3 309 37 37 PHE CE1 C 131.19 0.40 3 310 37 37 PHE N N 117.65 0.10 1 311 38 38 SER H H 8.24 0.03 1 312 38 38 SER HA H 4.15 0.03 1 313 38 38 SER HB2 H 4.08 0.03 2 314 38 38 SER C C 177.06 0.40 1 315 38 38 SER CA C 61.96 0.40 1 316 38 38 SER CB C 62.92 0.40 1 317 38 38 SER N N 114.09 0.10 1 318 39 39 GLU H H 8.39 0.03 1 319 39 39 GLU HA H 4.03 0.03 1 320 39 39 GLU HB2 H 2.15 0.03 2 321 39 39 GLU HB3 H 2.11 0.03 2 322 39 39 GLU HG2 H 2.37 0.03 2 323 39 39 GLU C C 178.70 0.40 1 324 39 39 GLU CA C 59.08 0.40 1 325 39 39 GLU CB C 29.68 0.40 1 326 39 39 GLU N N 120.68 0.10 1 327 40 40 PHE H H 8.37 0.03 1 328 40 40 PHE HA H 4.03 0.03 1 329 40 40 PHE HB2 H 3.25 0.03 2 330 40 40 PHE HB3 H 3.01 0.03 2 331 40 40 PHE C C 176.87 0.40 1 332 40 40 PHE CA C 62.44 0.40 1 333 40 40 PHE CB C 40.47 0.40 1 334 40 40 PHE N N 120.85 0.10 1 335 41 41 ASP H H 8.70 0.03 1 336 41 41 ASP HA H 4.89 0.03 1 337 41 41 ASP HB2 H 2.32 0.03 2 338 41 41 ASP HB3 H 2.60 0.03 2 339 41 41 ASP C C 178.71 0.40 1 340 41 41 ASP CA C 56.06 0.40 1 341 41 41 ASP CB C 42.33 0.40 1 342 41 41 ASP N N 119.65 0.10 1 343 42 42 LYS H H 8.05 0.03 1 344 42 42 LYS HA H 3.85 0.03 1 345 42 42 LYS HB2 H 1.79 0.03 2 346 42 42 LYS HB3 H 1.88 0.03 2 347 42 42 LYS HG2 H 1.40 0.03 2 348 42 42 LYS HG3 H 1.49 0.03 2 349 42 42 LYS HD2 H 1.61 0.03 2 350 42 42 LYS HE2 H 2.88 0.03 2 351 42 42 LYS C C 178.02 0.40 1 352 42 42 LYS CA C 59.20 0.40 1 353 42 42 LYS CB C 32.55 0.40 1 354 42 42 LYS CG C 24.86 0.40 1 355 42 42 LYS CD C 29.22 0.40 1 356 42 42 LYS CE C 41.73 0.40 1 357 42 42 LYS N N 116.57 0.10 1 358 43 43 ARG H H 7.36 0.03 1 359 43 43 ARG HA H 4.05 0.03 1 360 43 43 ARG HB2 H 1.42 0.03 2 361 43 43 ARG HB3 H 1.16 0.03 2 362 43 43 ARG HG2 H 0.95 0.03 2 363 43 43 ARG HG3 H 0.91 0.03 2 364 43 43 ARG HD2 H 2.93 0.03 2 365 43 43 ARG C C 177.40 0.40 1 366 43 43 ARG CA C 57.42 0.40 1 367 43 43 ARG CB C 30.89 0.40 1 368 43 43 ARG CG C 27.40 0.40 1 369 43 43 ARG CD C 42.44 0.40 1 370 43 43 ARG N N 115.86 0.10 1 371 44 44 TYR H H 8.11 0.03 1 372 44 44 TYR HA H 4.70 0.03 1 373 44 44 TYR HB2 H 2.12 0.03 2 374 44 44 TYR HB3 H 2.88 0.03 2 375 44 44 TYR HD1 H 6.62 0.03 3 376 44 44 TYR HE1 H 6.51 0.03 3 377 44 44 TYR C C 176.47 0.40 1 378 44 44 TYR CA C 59.73 0.40 1 379 44 44 TYR CB C 40.89 0.40 1 380 44 44 TYR CD1 C 133.81 0.40 3 381 44 44 TYR CE1 C 116.99 0.40 3 382 44 44 TYR N N 114.47 0.10 1 383 45 45 THR H H 7.74 0.03 1 384 45 45 THR HA H 4.34 0.03 1 385 45 45 THR HB H 4.29 0.03 1 386 45 45 THR HG2 H 1.18 0.03 1 387 45 45 THR CA C 62.93 0.40 1 388 45 45 THR CB C 69.23 0.40 1 389 45 45 THR CG2 C 23.38 0.40 1 390 45 45 THR N N 108.28 0.10 1 391 46 46 HIS HA H 4.32 0.03 1 392 46 46 HIS HB2 H 3.02 0.03 2 393 46 46 HIS HB3 H 3.08 0.03 2 394 46 46 HIS HD2 H 6.93 0.03 1 395 46 46 HIS CA C 58.39 0.40 1 396 46 46 HIS CB C 29.80 0.40 1 397 48 48 ARG HA H 4.31 0.03 1 398 48 48 ARG HB2 H 1.62 0.03 2 399 48 48 ARG HB3 H 1.48 0.03 2 400 48 48 ARG HG2 H 1.59 0.03 2 401 48 48 ARG HG3 H 1.51 0.03 2 402 48 48 ARG HD2 H 3.14 0.03 2 403 48 48 ARG CA C 55.76 0.40 1 404 48 48 ARG CB C 30.46 0.40 1 405 48 48 ARG CG C 27.40 0.40 1 406 48 48 ARG CD C 43.24 0.40 1 407 50 50 PHE HA H 4.56 0.03 1 408 50 50 PHE HB2 H 2.96 0.03 2 409 50 50 PHE HD1 H 7.12 0.03 3 410 50 50 PHE HE1 H 7.29 0.03 3 411 50 50 PHE HZ H 7.25 0.03 1 412 50 50 PHE CA C 57.48 0.40 1 413 50 50 PHE CB C 38.41 0.40 1 414 50 50 PHE CD1 C 131.68 0.40 3 415 50 50 PHE CE1 C 131.55 0.40 3 416 50 50 PHE CZ C 129.55 0.40 1 417 51 51 ILE HA H 4.07 0.03 1 418 51 51 ILE HB H 1.77 0.03 1 419 51 51 ILE HG12 H 1.26 0.03 2 420 51 51 ILE HG13 H 1.03 0.03 2 421 51 51 ILE HG2 H 0.72 0.03 1 422 51 51 ILE HD1 H 0.76 0.03 1 423 51 51 ILE CA C 61.50 0.40 1 424 51 51 ILE CB C 38.19 0.40 1 425 51 51 ILE CG1 C 27.49 0.40 1 426 51 51 ILE CG2 C 17.56 0.40 1 427 51 51 ILE CD1 C 13.03 0.40 1 428 53 53 LYS HA H 4.35 0.03 1 429 53 53 LYS HB2 H 1.90 0.03 2 430 53 53 LYS HB3 H 1.78 0.03 2 431 53 53 LYS HG2 H 1.38 0.03 2 432 53 53 LYS HG3 H 1.45 0.03 2 433 53 53 LYS HD2 H 1.66 0.03 2 434 53 53 LYS HE2 H 2.95 0.03 2 435 53 53 LYS CA C 56.40 0.40 1 436 53 53 LYS CB C 32.98 0.40 1 437 53 53 LYS CG C 24.88 0.40 1 438 53 53 LYS CD C 29.12 0.40 1 439 53 53 LYS CE C 41.95 0.40 1 440 54 54 ALA HA H 4.21 0.03 1 441 54 54 ALA HB H 1.44 0.03 1 442 54 54 ALA CA C 53.59 0.40 1 443 54 54 ALA CB C 18.99 0.40 1 444 55 55 ILE HA H 4.19 0.03 1 445 55 55 ILE HB H 1.83 0.03 1 446 55 55 ILE HG12 H 1.20 0.03 2 447 55 55 ILE HG13 H 1.44 0.03 2 448 55 55 ILE HG2 H 0.90 0.03 1 449 55 55 ILE HD1 H 0.83 0.03 1 450 55 55 ILE CA C 61.33 0.40 1 451 55 55 ILE CB C 38.60 0.40 1 452 55 55 ILE CG1 C 27.25 0.40 1 453 55 55 ILE CG2 C 17.67 0.40 1 454 55 55 ILE CD1 C 13.07 0.40 1 455 56 56 ASN HA H 4.85 0.03 1 456 56 56 ASN HB2 H 2.76 0.03 2 457 56 56 ASN HB3 H 2.91 0.03 2 458 56 56 ASN CA C 53.35 0.40 1 459 56 56 ASN CB C 39.15 0.40 1 460 57 57 SER HA H 4.62 0.03 1 461 57 57 SER HB2 H 3.90 0.03 2 462 57 57 SER CA C 57.94 0.40 1 463 57 57 SER CB C 63.84 0.40 1 464 60 60 THR H H 7.40 0.03 1 465 60 60 THR HA H 3.99 0.03 1 466 60 60 THR HB H 4.46 0.03 1 467 60 60 THR HG2 H 0.63 0.03 1 468 60 60 THR CA C 61.97 0.40 1 469 60 60 THR CB C 68.15 0.40 1 470 60 60 THR CG2 C 21.88 0.40 1 471 60 60 THR N N 107.91 0.10 1 472 61 61 SER H H 7.91 0.03 1 473 61 61 SER CA C 61.49 0.40 1 474 61 61 SER CB C 63.21 0.40 1 475 61 61 SER N N 117.96 0.10 1 476 62 62 SER HA H 4.35 0.03 1 477 62 62 SER HB2 H 3.87 0.03 2 478 62 62 SER HB3 H 3.98 0.03 2 479 62 62 SER C C 174.87 0.40 1 480 62 62 SER CA C 59.07 0.40 1 481 62 62 SER CB C 62.78 0.40 1 482 63 63 LEU H H 7.50 0.03 1 483 63 63 LEU HA H 4.37 0.03 1 484 63 63 LEU HB2 H 1.37 0.03 2 485 63 63 LEU HB3 H 1.85 0.03 2 486 63 63 LEU HG H 1.59 0.03 1 487 63 63 LEU HD1 H 0.89 0.03 2 488 63 63 LEU HD2 H 0.90 0.03 2 489 63 63 LEU C C 176.15 0.40 1 490 63 63 LEU CA C 54.34 0.40 1 491 63 63 LEU CB C 42.56 0.40 1 492 63 63 LEU CG C 27.08 0.40 1 493 63 63 LEU CD1 C 25.98 0.40 2 494 63 63 LEU CD2 C 23.35 0.40 2 495 63 63 LEU N N 122.79 0.10 1 496 64 64 ALA H H 8.34 0.03 1 497 64 64 ALA HA H 4.43 0.03 1 498 64 64 ALA HB H 1.32 0.03 1 499 64 64 ALA C C 176.85 0.40 1 500 64 64 ALA CA C 51.92 0.40 1 501 64 64 ALA CB C 17.63 0.40 1 502 64 64 ALA N N 126.60 0.10 1 503 65 65 THR H H 8.02 0.03 1 504 65 65 THR HA H 4.56 0.03 1 505 65 65 THR HB H 4.63 0.03 1 506 65 65 THR HG2 H 1.28 0.03 1 507 65 65 THR C C 173.22 0.40 1 508 65 65 THR CA C 57.85 0.40 1 509 65 65 THR CB C 68.55 0.40 1 510 65 65 THR CG2 C 22.44 0.40 1 511 65 65 THR N N 112.79 0.10 1 512 66 66 PRO HA H 4.48 0.03 1 513 66 66 PRO HB2 H 1.81 0.03 2 514 66 66 PRO HG2 H 1.80 0.03 2 515 66 66 PRO HG3 H 1.57 0.03 2 516 66 66 PRO HD2 H 3.38 0.03 2 517 66 66 PRO HD3 H 3.47 0.03 2 518 66 66 PRO CA C 62.69 0.40 1 519 66 66 PRO CB C 31.41 0.40 1 520 66 66 PRO CG C 27.57 0.40 1 521 66 66 PRO CD C 50.04 0.40 1 522 68 68 ASP H H 7.60 0.03 1 523 68 68 ASP HA H 4.71 0.03 1 524 68 68 ASP HB2 H 2.81 0.03 2 525 68 68 ASP HB3 H 2.98 0.03 2 526 68 68 ASP C C 176.42 0.40 1 527 68 68 ASP CA C 52.90 0.40 1 528 68 68 ASP CB C 42.70 0.40 1 529 68 68 ASP N N 116.35 0.10 1 530 69 69 LYS HA H 4.03 0.03 1 531 69 69 LYS HB2 H 1.85 0.03 2 532 69 69 LYS HB3 H 1.93 0.03 2 533 69 69 LYS HG2 H 1.49 0.03 2 534 69 69 LYS HG3 H 1.42 0.03 2 535 69 69 LYS HD2 H 1.72 0.03 2 536 69 69 LYS CA C 59.21 0.40 1 537 69 69 LYS CB C 32.59 0.40 1 538 69 69 LYS CG C 24.82 0.40 1 539 69 69 LYS CD C 29.29 0.40 1 540 70 70 GLU H H 8.33 0.03 1 541 70 70 GLU C C 179.22 0.40 1 542 70 70 GLU CA C 59.66 0.40 1 543 70 70 GLU CB C 29.02 0.40 1 544 70 70 GLU N N 120.47 0.10 1 545 71 71 GLN H H 8.54 0.03 1 546 71 71 GLN HA H 4.03 0.03 1 547 71 71 GLN HB2 H 2.03 0.03 2 548 71 71 GLN HG2 H 2.74 0.03 2 549 71 71 GLN HG3 H 2.40 0.03 2 550 71 71 GLN C C 179.17 0.40 1 551 71 71 GLN CA C 58.48 0.40 1 552 71 71 GLN CB C 28.98 0.40 1 553 71 71 GLN CG C 34.18 0.40 1 554 71 71 GLN N N 118.39 0.10 1 555 72 72 ALA H H 7.93 0.03 1 556 72 72 ALA HA H 3.72 0.03 1 557 72 72 ALA HB H 1.41 0.03 1 558 72 72 ALA C C 178.74 0.40 1 559 72 72 ALA CA C 54.63 0.40 1 560 72 72 ALA CB C 18.41 0.40 1 561 72 72 ALA N N 121.59 0.10 1 562 73 73 GLN H H 8.07 0.03 1 563 73 73 GLN HA H 4.14 0.03 1 564 73 73 GLN HB2 H 2.13 0.03 2 565 73 73 GLN HG2 H 2.50 0.03 2 566 73 73 GLN HG3 H 2.47 0.03 2 567 73 73 GLN HE21 H 7.57 0.03 2 568 73 73 GLN HE22 H 6.82 0.03 2 569 73 73 GLN C C 176.71 0.40 1 570 73 73 GLN CA C 57.90 0.40 1 571 73 73 GLN CB C 28.77 0.40 1 572 73 73 GLN CG C 34.06 0.40 1 573 73 73 GLN CD C 180.35 0.40 1 574 73 73 GLN N N 115.55 0.10 1 575 73 73 GLN NE2 N 111.74 0.10 1 576 74 74 GLN H H 7.36 0.03 1 577 74 74 GLN HA H 4.22 0.03 1 578 74 74 GLN HB2 H 1.98 0.03 2 579 74 74 GLN HB3 H 2.21 0.03 2 580 74 74 GLN HG2 H 2.44 0.03 2 581 74 74 GLN HG3 H 2.51 0.03 2 582 74 74 GLN HE21 H 6.75 0.03 2 583 74 74 GLN HE22 H 7.39 0.03 2 584 74 74 GLN CA C 55.79 0.40 1 585 74 74 GLN CB C 29.34 0.40 1 586 74 74 GLN CG C 33.90 0.40 1 587 74 74 GLN CD C 180.35 0.40 1 588 74 74 GLN N N 114.82 0.10 1 589 74 74 GLN NE2 N 111.09 0.10 1 590 75 75 MET H H 7.25 0.03 1 591 75 75 MET HA H 4.24 0.03 1 592 75 75 MET HB2 H 1.82 0.03 2 593 75 75 MET HB3 H 1.73 0.03 2 594 75 75 MET HG2 H 2.35 0.03 2 595 75 75 MET HG3 H 2.41 0.03 2 596 75 75 MET HE H 1.75 0.03 1 597 75 75 MET C C 175.90 0.40 1 598 75 75 MET CA C 56.01 0.40 1 599 75 75 MET CB C 33.29 0.40 1 600 75 75 MET CG C 32.28 0.40 1 601 75 75 MET CE C 16.88 0.40 1 602 75 75 MET N N 120.01 0.10 1 603 76 76 ASN HA H 4.61 0.03 1 604 76 76 ASN HB2 H 2.87 0.03 2 605 76 76 ASN HB3 H 3.04 0.03 2 606 76 76 ASN CA C 53.51 0.40 1 607 76 76 ASN CB C 39.30 0.40 1 608 78 78 LYS H H 8.19 0.03 1 609 78 78 LYS HA H 3.74 0.03 1 610 78 78 LYS HB2 H 1.56 0.03 2 611 78 78 LYS HG2 H 1.12 0.03 2 612 78 78 LYS HD2 H 1.48 0.03 2 613 78 78 LYS HD3 H 1.46 0.03 2 614 78 78 LYS HE2 H 2.86 0.03 2 615 78 78 LYS C C 178.49 0.40 1 616 78 78 LYS CA C 60.03 0.40 1 617 78 78 LYS CB C 31.54 0.40 1 618 78 78 LYS CG C 24.56 0.40 1 619 78 78 LYS CD C 29.15 0.40 1 620 78 78 LYS CE C 41.69 0.40 1 621 78 78 LYS N N 119.98 0.10 1 622 79 79 ASP H H 7.86 0.03 1 623 79 79 ASP HA H 4.39 0.03 1 624 79 79 ASP HB2 H 2.65 0.03 2 625 79 79 ASP C C 178.80 0.40 1 626 79 79 ASP CA C 56.93 0.40 1 627 79 79 ASP CB C 40.34 0.40 1 628 79 79 ASP N N 119.81 0.10 1 629 80 80 PHE H H 8.33 0.03 1 630 80 80 PHE HA H 4.47 0.03 1 631 80 80 PHE HB2 H 3.18 0.03 2 632 80 80 PHE HD1 H 7.12 0.03 3 633 80 80 PHE HE1 H 6.73 0.03 3 634 80 80 PHE HZ H 6.90 0.03 1 635 80 80 PHE C C 178.03 0.40 1 636 80 80 PHE CA C 59.32 0.40 1 637 80 80 PHE CB C 39.51 0.40 1 638 80 80 PHE CD1 C 130.66 0.40 3 639 80 80 PHE CE1 C 130.70 0.40 3 640 80 80 PHE CZ C 128.90 0.40 1 641 80 80 PHE N N 121.60 0.10 1 642 81 81 LEU H H 8.34 0.03 1 643 81 81 LEU HA H 3.92 0.03 1 644 81 81 LEU HB2 H 1.60 0.03 2 645 81 81 LEU HB3 H 2.05 0.03 2 646 81 81 LEU HG H 1.02 0.03 1 647 81 81 LEU C C 178.39 0.40 1 648 81 81 LEU CA C 58.65 0.40 1 649 81 81 LEU CB C 41.74 0.40 1 650 81 81 LEU CG C 25.87 0.40 1 651 81 81 LEU N N 118.35 0.10 1 652 82 82 SER H H 8.12 0.03 1 653 82 82 SER HA H 4.20 0.03 1 654 82 82 SER HB2 H 4.03 0.03 2 655 82 82 SER C C 176.80 0.40 1 656 82 82 SER CA C 62.07 0.40 1 657 82 82 SER CB C 62.87 0.40 1 658 82 82 SER N N 112.82 0.10 1 659 83 83 LEU H H 7.97 0.03 1 660 83 83 LEU HA H 4.25 0.03 1 661 83 83 LEU HB2 H 1.90 0.03 2 662 83 83 LEU HB3 H 2.09 0.03 2 663 83 83 LEU HG H 1.76 0.03 1 664 83 83 LEU HD1 H 0.93 0.03 2 665 83 83 LEU HD2 H 0.98 0.03 2 666 83 83 LEU C C 178.19 0.40 1 667 83 83 LEU CA C 58.25 0.40 1 668 83 83 LEU CB C 42.09 0.40 1 669 83 83 LEU CG C 27.09 0.40 1 670 83 83 LEU CD1 C 25.93 0.40 2 671 83 83 LEU CD2 C 24.81 0.40 2 672 83 83 LEU N N 123.61 0.10 1 673 84 84 ILE H H 7.85 0.03 1 674 84 84 ILE HA H 3.57 0.03 1 675 84 84 ILE HB H 2.10 0.03 1 676 84 84 ILE HG2 H 1.03 0.03 1 677 84 84 ILE HD1 H 0.78 0.03 1 678 84 84 ILE C C 177.56 0.40 1 679 84 84 ILE CA C 66.22 0.40 1 680 84 84 ILE CB C 38.55 0.40 1 681 84 84 ILE CG2 C 17.71 0.40 1 682 84 84 ILE CD1 C 14.74 0.40 1 683 84 84 ILE N N 117.97 0.10 1 684 85 85 VAL H H 7.86 0.03 1 685 85 85 VAL HA H 3.47 0.03 1 686 85 85 VAL HB H 2.24 0.03 1 687 85 85 VAL HG1 H 0.97 0.03 2 688 85 85 VAL C C 177.29 0.40 1 689 85 85 VAL CA C 67.76 0.40 1 690 85 85 VAL CB C 31.63 0.40 1 691 85 85 VAL CG1 C 21.50 0.40 2 692 85 85 VAL N N 117.42 0.10 1 693 86 86 SER H H 8.50 0.03 1 694 86 86 SER HA H 4.26 0.03 1 695 86 86 SER HB2 H 4.00 0.03 2 696 86 86 SER C C 176.66 0.40 1 697 86 86 SER CA C 63.17 0.40 1 698 86 86 SER CB C 63.28 0.40 1 699 86 86 SER N N 115.95 0.10 1 700 87 87 ILE H H 8.42 0.03 1 701 87 87 ILE HA H 3.58 0.03 1 702 87 87 ILE HB H 2.07 0.03 1 703 87 87 ILE HG2 H 1.09 0.03 1 704 87 87 ILE HD1 H 0.96 0.03 1 705 87 87 ILE C C 178.89 0.40 1 706 87 87 ILE CA C 66.40 0.40 1 707 87 87 ILE CB C 38.38 0.40 1 708 87 87 ILE CG2 C 18.02 0.40 1 709 87 87 ILE CD1 C 13.47 0.40 1 710 87 87 ILE N N 121.31 0.10 1 711 88 88 LEU H H 8.12 0.03 1 712 88 88 LEU HA H 4.07 0.03 1 713 88 88 LEU HB2 H 2.12 0.03 2 714 88 88 LEU HG H 1.36 0.03 1 715 88 88 LEU HD1 H 0.80 0.03 2 716 88 88 LEU C C 179.73 0.40 1 717 88 88 LEU CA C 58.95 0.40 1 718 88 88 LEU CB C 43.42 0.40 1 719 88 88 LEU N N 119.18 0.10 1 720 89 89 ARG H H 8.99 0.03 1 721 89 89 ARG HA H 3.85 0.03 1 722 89 89 ARG HB2 H 1.47 0.03 2 723 89 89 ARG HG2 H 1.44 0.03 2 724 89 89 ARG HD2 H 3.04 0.03 2 725 89 89 ARG C C 179.61 0.40 1 726 89 89 ARG CA C 59.48 0.40 1 727 89 89 ARG CB C 29.59 0.40 1 728 89 89 ARG CG C 28.93 0.40 1 729 89 89 ARG CD C 43.44 0.40 1 730 89 89 ARG N N 117.93 0.10 1 731 90 90 SER H H 7.89 0.03 1 732 90 90 SER HA H 4.29 0.03 1 733 90 90 SER HB2 H 4.23 0.03 2 734 90 90 SER HB3 H 3.95 0.03 2 735 90 90 SER C C 175.64 0.40 1 736 90 90 SER CA C 61.02 0.40 1 737 90 90 SER CB C 63.41 0.40 1 738 90 90 SER N N 114.11 0.10 1 739 91 91 TRP H H 7.76 0.03 1 740 91 91 TRP HA H 4.58 0.03 1 741 91 91 TRP HB2 H 3.52 0.03 2 742 91 91 TRP HB3 H 3.10 0.03 2 743 91 91 TRP HE3 H 6.69 0.03 1 744 91 91 TRP HZ2 H 7.20 0.03 1 745 91 91 TRP HZ3 H 7.62 0.03 1 746 91 91 TRP HH2 H 7.48 0.03 1 747 91 91 TRP C C 176.48 0.40 1 748 91 91 TRP CA C 59.40 0.40 1 749 91 91 TRP CB C 29.98 0.40 1 750 91 91 TRP CE3 C 120.10 0.40 1 751 91 91 TRP CZ2 C 113.64 0.40 1 752 91 91 TRP CZ3 C 120.58 0.40 1 753 91 91 TRP CH2 C 124.42 0.40 1 754 91 91 TRP N N 121.45 0.10 1 755 92 92 ASN H H 7.35 0.03 1 756 92 92 ASN HA H 4.55 0.03 1 757 92 92 ASN HB2 H 2.92 0.03 2 758 92 92 ASN C C 177.10 0.40 1 759 92 92 ASN CA C 57.76 0.40 1 760 92 92 ASN CB C 38.92 0.40 1 761 92 92 ASN N N 119.58 0.10 1 762 93 93 GLU H H 9.17 0.03 1 763 93 93 GLU HA H 4.47 0.03 1 764 93 93 GLU HB2 H 2.32 0.03 2 765 93 93 GLU HG2 H 2.57 0.03 2 766 93 93 GLU HG3 H 2.51 0.03 2 767 93 93 GLU C C 175.64 0.40 1 768 93 93 GLU CA C 61.10 0.40 1 769 93 93 GLU CB C 27.42 0.40 1 770 93 93 GLU CG C 37.57 0.40 1 771 93 93 GLU N N 119.13 0.10 1 772 94 94 PRO HA H 3.34 0.03 1 773 94 94 PRO HB2 H 1.43 0.03 2 774 94 94 PRO HG2 H 0.69 0.03 2 775 94 94 PRO HG3 H 1.65 0.03 2 776 94 94 PRO HD2 H 3.61 0.03 2 777 94 94 PRO HD3 H 3.20 0.03 2 778 94 94 PRO C C 178.16 0.40 1 779 94 94 PRO CA C 66.15 0.40 1 780 94 94 PRO CB C 29.77 0.40 1 781 94 94 PRO CG C 27.60 0.40 1 782 94 94 PRO CD C 49.08 0.40 1 783 95 95 LEU H H 7.80 0.03 1 784 95 95 LEU HA H 4.20 0.03 1 785 95 95 LEU HB2 H 2.37 0.03 2 786 95 95 LEU HB3 H 1.25 0.03 2 787 95 95 LEU HG H 2.40 0.03 1 788 95 95 LEU HD1 H 0.96 0.03 2 789 95 95 LEU HD2 H 0.86 0.03 2 790 95 95 LEU C C 178.15 0.40 1 791 95 95 LEU CA C 58.50 0.40 1 792 95 95 LEU CB C 41.67 0.40 1 793 95 95 LEU CG C 27.77 0.40 1 794 95 95 LEU CD1 C 26.83 0.40 2 795 95 95 LEU CD2 C 23.00 0.40 2 796 95 95 LEU N N 113.66 0.10 1 797 96 96 TYR H H 7.81 0.03 1 798 96 96 TYR HA H 4.24 0.03 1 799 96 96 TYR HB2 H 3.23 0.03 2 800 96 96 TYR HB3 H 3.19 0.03 2 801 96 96 TYR HD1 H 6.69 0.03 3 802 96 96 TYR HE1 H 6.68 0.03 3 803 96 96 TYR C C 179.27 0.40 1 804 96 96 TYR CA C 61.25 0.40 1 805 96 96 TYR CB C 37.75 0.40 1 806 96 96 TYR CD1 C 133.14 0.40 3 807 96 96 TYR CE1 C 118.08 0.40 3 808 96 96 TYR N N 120.03 0.10 1 809 97 97 HIS H H 8.22 0.03 1 810 97 97 HIS HA H 4.20 0.03 1 811 97 97 HIS HB2 H 3.16 0.03 2 812 97 97 HIS HD2 H 7.26 0.03 1 813 97 97 HIS C C 177.02 0.40 1 814 97 97 HIS CA C 60.12 0.40 1 815 97 97 HIS CB C 30.65 0.40 1 816 97 97 HIS N N 119.74 0.10 1 817 98 98 LEU H H 8.82 0.03 1 818 98 98 LEU HA H 3.97 0.03 1 819 98 98 LEU HB2 H 2.11 0.03 2 820 98 98 LEU HG H 1.51 0.03 1 821 98 98 LEU HD1 H 0.92 0.03 2 822 98 98 LEU HD2 H 0.86 0.03 2 823 98 98 LEU C C 177.60 0.40 1 824 98 98 LEU CA C 58.86 0.40 1 825 98 98 LEU CB C 41.98 0.40 1 826 98 98 LEU CG C 26.86 0.40 1 827 98 98 LEU CD1 C 23.63 0.40 2 828 98 98 LEU CD2 C 25.74 0.40 2 829 98 98 LEU N N 121.67 0.10 1 830 99 99 VAL H H 7.81 0.03 1 831 99 99 VAL HA H 3.25 0.03 1 832 99 99 VAL HB H 2.06 0.03 1 833 99 99 VAL HG1 H 0.99 0.03 2 834 99 99 VAL HG2 H 0.86 0.03 2 835 99 99 VAL C C 177.33 0.40 1 836 99 99 VAL CA C 67.41 0.40 1 837 99 99 VAL CB C 32.00 0.40 1 838 99 99 VAL CG1 C 23.74 0.40 2 839 99 99 VAL CG2 C 21.99 0.40 2 840 99 99 VAL N N 116.39 0.10 1 841 100 100 THR H H 7.62 0.03 1 842 100 100 THR HA H 3.62 0.03 1 843 100 100 THR HB H 4.12 0.03 1 844 100 100 THR HG2 H 1.10 0.03 1 845 100 100 THR C C 177.54 0.40 1 846 100 100 THR CA C 66.79 0.40 1 847 100 100 THR CB C 68.64 0.40 1 848 100 100 THR CG2 C 21.60 0.40 1 849 100 100 THR N N 113.53 0.10 1 850 101 101 GLU HA H 4.00 0.03 1 851 101 101 GLU HB2 H 2.13 0.03 2 852 101 101 GLU HG2 H 3.13 0.03 2 853 101 101 GLU CA C 58.91 0.40 1 854 102 102 VAL H H 8.50 0.03 1 855 102 102 VAL HA H 3.90 0.03 1 856 102 102 VAL HB H 2.21 0.03 1 857 102 102 VAL HG1 H 0.95 0.03 2 858 102 102 VAL HG2 H 1.08 0.03 2 859 102 102 VAL CA C 66.09 0.40 1 860 102 102 VAL CB C 31.01 0.40 1 861 102 102 VAL CG1 C 22.41 0.40 2 862 102 102 VAL CG2 C 23.13 0.40 2 863 102 102 VAL N N 119.89 0.10 1 864 103 103 ARG H H 8.24 0.03 1 865 103 103 ARG HA H 3.95 0.03 1 866 103 103 ARG HB2 H 1.94 0.03 2 867 103 103 ARG HB3 H 1.83 0.03 2 868 103 103 ARG HG2 H 1.69 0.03 2 869 103 103 ARG HG3 H 1.82 0.03 2 870 103 103 ARG HD2 H 3.20 0.03 2 871 103 103 ARG HD3 H 3.15 0.03 2 872 103 103 ARG C C 177.61 0.40 1 873 103 103 ARG CA C 59.31 0.40 1 874 103 103 ARG CB C 30.10 0.40 1 875 103 103 ARG CG C 28.47 0.40 1 876 103 103 ARG CD C 43.62 0.40 1 877 103 103 ARG N N 118.92 0.10 1 878 104 104 GLY H H 7.45 0.03 1 879 104 104 GLY HA2 H 4.21 0.03 2 880 104 104 GLY HA3 H 3.79 0.03 2 881 104 104 GLY C C 174.39 0.40 1 882 104 104 GLY CA C 45.09 0.40 1 883 104 104 GLY N N 103.52 0.10 1 884 105 105 MET H H 7.51 0.03 1 885 105 105 MET HA H 4.35 0.03 1 886 105 105 MET HB2 H 2.15 0.03 2 887 105 105 MET HB3 H 2.20 0.03 2 888 105 105 MET HG2 H 2.93 0.03 2 889 105 105 MET HG3 H 2.59 0.03 2 890 105 105 MET HE H 1.86 0.03 1 891 105 105 MET C C 176.30 0.40 1 892 105 105 MET CA C 56.29 0.40 1 893 105 105 MET CB C 33.46 0.40 1 894 105 105 MET CG C 32.58 0.40 1 895 105 105 MET CE C 16.83 0.40 1 896 105 105 MET N N 121.46 0.10 1 897 107 107 GLU HA H 4.20 0.03 1 898 107 107 GLU C C 175.59 0.40 1 899 108 108 ALA H H 7.79 0.03 1 900 108 108 ALA HA H 4.49 0.03 1 901 108 108 ALA HB H 1.42 0.03 1 902 108 108 ALA C C 176.16 0.40 1 903 108 108 ALA CA C 50.92 0.40 1 904 108 108 ALA CB C 18.53 0.40 1 905 108 108 ALA N N 124.27 0.10 1 906 109 109 PRO HA H 4.57 0.03 1 907 109 109 PRO HB2 H 2.00 0.03 2 908 109 109 PRO HB3 H 2.37 0.03 2 909 109 109 PRO HG2 H 2.13 0.03 2 910 109 109 PRO HD2 H 4.03 0.03 2 911 109 109 PRO HD3 H 3.61 0.03 2 912 109 109 PRO C C 175.93 0.40 1 913 109 109 PRO CA C 62.55 0.40 1 914 109 109 PRO CB C 31.55 0.40 1 915 109 109 PRO CG C 28.11 0.40 1 916 109 109 PRO CD C 50.63 0.40 1 917 111 111 ALA HA H 4.22 0.03 1 918 111 111 ALA HB H 1.40 0.03 1 919 111 111 ALA CA C 54.63 0.40 1 920 111 111 ALA CB C 19.00 0.40 1 921 112 112 ILE H H 7.26 0.03 1 922 112 112 ILE HA H 3.91 0.03 1 923 112 112 ILE HB H 2.02 0.03 1 924 112 112 ILE HG12 H 1.76 0.03 2 925 112 112 ILE HG13 H 1.29 0.03 2 926 112 112 ILE HG2 H 1.04 0.03 1 927 112 112 ILE HD1 H 1.06 0.03 1 928 112 112 ILE C C 176.43 0.40 1 929 112 112 ILE CA C 63.95 0.40 1 930 112 112 ILE CB C 38.14 0.40 1 931 112 112 ILE CG1 C 29.30 0.40 1 932 112 112 ILE CG2 C 17.01 0.40 1 933 112 112 ILE CD1 C 13.27 0.40 1 934 112 112 ILE N N 113.89 0.10 1 935 113 113 LEU H H 7.87 0.03 1 936 113 113 LEU HA H 4.00 0.03 1 937 113 113 LEU HB2 H 1.44 0.03 2 938 113 113 LEU HB3 H 1.88 0.03 2 939 113 113 LEU HG H 1.67 0.03 1 940 113 113 LEU HD1 H 0.93 0.03 2 941 113 113 LEU HD2 H 0.95 0.03 2 942 113 113 LEU C C 177.66 0.40 1 943 113 113 LEU CA C 58.68 0.40 1 944 113 113 LEU CB C 41.64 0.40 1 945 113 113 LEU CG C 27.16 0.40 1 946 113 113 LEU CD1 C 24.00 0.40 2 947 113 113 LEU CD2 C 25.82 0.40 2 948 113 113 LEU N N 120.40 0.10 1 949 114 114 SER H H 8.49 0.03 1 950 114 114 SER HA H 4.10 0.03 1 951 114 114 SER HB2 H 3.97 0.03 2 952 114 114 SER C C 177.85 0.40 1 953 114 114 SER CA C 61.66 0.40 1 954 114 114 SER CB C 62.57 0.40 1 955 114 114 SER N N 111.09 0.10 1 956 115 115 LYS H H 7.21 0.03 1 957 115 115 LYS HA H 4.19 0.03 1 958 115 115 LYS HB2 H 1.75 0.03 2 959 115 115 LYS HB3 H 1.99 0.03 2 960 115 115 LYS HG2 H 1.52 0.03 2 961 115 115 LYS HD2 H 1.52 0.03 2 962 115 115 LYS HE2 H 2.98 0.03 2 963 115 115 LYS C C 176.95 0.40 1 964 115 115 LYS CA C 59.37 0.40 1 965 115 115 LYS CB C 33.06 0.40 1 966 115 115 LYS CG C 26.66 0.40 1 967 115 115 LYS CD C 28.89 0.40 1 968 115 115 LYS CE C 42.19 0.40 1 969 115 115 LYS N N 120.72 0.10 1 970 116 116 ALA H H 8.32 0.03 1 971 116 116 ALA HA H 3.84 0.03 1 972 116 116 ALA HB H 1.49 0.03 1 973 116 116 ALA C C 178.67 0.40 1 974 116 116 ALA CA C 55.80 0.40 1 975 116 116 ALA CB C 17.60 0.40 1 976 116 116 ALA N N 123.10 0.10 1 977 117 117 VAL H H 8.25 0.03 1 978 117 117 VAL HA H 3.72 0.03 1 979 117 117 VAL HB H 2.16 0.03 1 980 117 117 VAL HG1 H 1.02 0.03 2 981 117 117 VAL HG2 H 1.13 0.03 2 982 117 117 VAL C C 178.95 0.40 1 983 117 117 VAL CA C 66.00 0.40 1 984 117 117 VAL CB C 32.40 0.40 1 985 117 117 VAL CG1 C 21.04 0.40 2 986 117 117 VAL CG2 C 23.34 0.40 2 987 117 117 VAL N N 116.67 0.10 1 988 118 118 GLU H H 7.52 0.03 1 989 118 118 GLU HA H 4.42 0.03 1 990 118 118 GLU HB2 H 2.11 0.03 2 991 118 118 GLU HB3 H 2.21 0.03 2 992 118 118 GLU HG2 H 2.36 0.03 2 993 118 118 GLU C C 178.86 0.40 1 994 118 118 GLU CA C 59.29 0.40 1 995 118 118 GLU CB C 29.99 0.40 1 996 118 118 GLU CG C 36.13 0.40 1 997 118 118 GLU N N 120.41 0.10 1 998 119 119 ILE H H 8.94 0.03 1 999 119 119 ILE HA H 3.48 0.03 1 1000 119 119 ILE HB H 1.79 0.03 1 1001 119 119 ILE HG12 H 1.81 0.03 2 1002 119 119 ILE HG13 H 0.77 0.03 2 1003 119 119 ILE HG2 H 0.87 0.03 1 1004 119 119 ILE HD1 H 0.67 0.03 1 1005 119 119 ILE C C 178.57 0.40 1 1006 119 119 ILE CA C 66.47 0.40 1 1007 119 119 ILE CB C 38.15 0.40 1 1008 119 119 ILE CG1 C 31.55 0.40 1 1009 119 119 ILE CG2 C 18.23 0.40 1 1010 119 119 ILE CD1 C 14.52 0.40 1 1011 119 119 ILE N N 120.16 0.10 1 1012 120 120 GLU H H 8.42 0.03 1 1013 120 120 GLU HA H 3.88 0.03 1 1014 120 120 GLU HB2 H 2.41 0.03 2 1015 120 120 GLU C C 177.88 0.40 1 1016 120 120 GLU CA C 61.08 0.40 1 1017 120 120 GLU CB C 29.10 0.40 1 1018 120 120 GLU N N 124.31 0.10 1 1019 121 121 GLU H H 7.73 0.03 1 1020 121 121 GLU HA H 4.12 0.03 1 1021 121 121 GLU HB2 H 2.26 0.03 2 1022 121 121 GLU HB3 H 2.10 0.03 2 1023 121 121 GLU HG2 H 2.33 0.03 2 1024 121 121 GLU C C 179.57 0.40 1 1025 121 121 GLU CA C 59.39 0.40 1 1026 121 121 GLU CB C 29.88 0.40 1 1027 121 121 GLU N N 117.88 0.10 1 1028 122 122 GLN H H 9.02 0.03 1 1029 122 122 GLN HA H 4.36 0.03 1 1030 122 122 GLN HB2 H 2.26 0.03 2 1031 122 122 GLN C C 179.10 0.40 1 1032 122 122 GLN CA C 58.03 0.40 1 1033 122 122 GLN CB C 27.73 0.40 1 1034 122 122 GLN N N 116.15 0.10 1 1035 123 123 THR H H 8.54 0.03 1 1036 123 123 THR HA H 4.14 0.03 1 1037 123 123 THR HB H 3.80 0.03 1 1038 123 123 THR HG2 H 1.12 0.03 1 1039 123 123 THR CA C 67.95 0.40 1 1040 123 123 THR CB C 67.95 0.40 1 1041 123 123 THR CG2 C 21.30 0.40 1 1042 123 123 THR N N 116.28 0.10 1 1043 124 124 LYS H H 7.25 0.03 1 1044 124 124 LYS HA H 4.00 0.03 1 1045 124 124 LYS HB2 H 2.12 0.03 2 1046 124 124 LYS HB3 H 1.91 0.03 2 1047 124 124 LYS HG2 H 1.82 0.03 2 1048 124 124 LYS HG3 H 1.48 0.03 2 1049 124 124 LYS HD2 H 1.73 0.03 2 1050 124 124 LYS HE2 H 2.98 0.03 2 1051 124 124 LYS C C 179.69 0.40 1 1052 124 124 LYS CA C 60.17 0.40 1 1053 124 124 LYS CB C 31.99 0.40 1 1054 124 124 LYS CG C 25.81 0.40 1 1055 124 124 LYS CD C 29.31 0.40 1 1056 124 124 LYS CE C 42.08 0.40 1 1057 124 124 LYS N N 121.27 0.10 1 1058 125 125 ARG H H 7.73 0.03 1 1059 125 125 ARG HA H 4.21 0.03 1 1060 125 125 ARG HB2 H 1.86 0.03 2 1061 125 125 ARG HD2 H 2.59 0.03 2 1062 125 125 ARG HD3 H 3.26 0.03 2 1063 125 125 ARG C C 179.68 0.40 1 1064 125 125 ARG CA C 58.65 0.40 1 1065 125 125 ARG CB C 30.35 0.40 1 1066 125 125 ARG CG C 26.97 0.40 1 1067 125 125 ARG CD C 43.35 0.40 1 1068 125 125 ARG N N 118.98 0.10 1 1069 126 126 LEU H H 8.80 0.03 1 1070 126 126 LEU HA H 4.19 0.03 1 1071 126 126 LEU HB2 H 1.44 0.03 2 1072 126 126 LEU HB3 H 2.04 0.03 2 1073 126 126 LEU HG H 0.84 0.03 1 1074 126 126 LEU HD1 H 1.09 0.03 2 1075 126 126 LEU C C 178.20 0.40 1 1076 126 126 LEU CA C 57.86 0.40 1 1077 126 126 LEU CB C 40.72 0.40 1 1078 126 126 LEU CG C 27.08 0.40 1 1079 126 126 LEU CD1 C 23.03 0.40 2 1080 126 126 LEU N N 123.18 0.10 1 1081 127 127 LEU H H 8.52 0.03 1 1082 127 127 LEU HA H 3.98 0.03 1 1083 127 127 LEU HB2 H 1.58 0.03 2 1084 127 127 LEU HB3 H 2.07 0.03 2 1085 127 127 LEU HG H 1.67 0.03 1 1086 127 127 LEU HD1 H 1.04 0.03 2 1087 127 127 LEU HD2 H 0.98 0.03 2 1088 127 127 LEU C C 177.78 0.40 1 1089 127 127 LEU CA C 58.78 0.40 1 1090 127 127 LEU CB C 41.27 0.40 1 1091 127 127 LEU CG C 27.37 0.40 1 1092 127 127 LEU CD1 C 23.99 0.40 2 1093 127 127 LEU CD2 C 26.38 0.40 2 1094 127 127 LEU N N 121.27 0.10 1 1095 128 128 GLU H H 8.00 0.03 1 1096 128 128 GLU HA H 4.12 0.03 1 1097 128 128 GLU HB2 H 2.21 0.03 2 1098 128 128 GLU HB3 H 2.09 0.03 2 1099 128 128 GLU C C 179.98 0.40 1 1100 128 128 GLU CA C 59.56 0.40 1 1101 128 128 GLU CB C 29.80 0.40 1 1102 128 128 GLU N N 118.55 0.10 1 1103 129 129 GLY H H 8.03 0.03 1 1104 129 129 GLY HA2 H 3.82 0.03 2 1105 129 129 GLY C C 175.86 0.40 1 1106 129 129 GLY CA C 47.22 0.40 1 1107 129 129 GLY N N 106.43 0.10 1 1108 130 130 MET H H 8.81 0.03 1 1109 130 130 MET HA H 4.43 0.03 1 1110 130 130 MET HB2 H 2.34 0.03 2 1111 130 130 MET HB3 H 1.82 0.03 2 1112 130 130 MET HG2 H 2.44 0.03 2 1113 130 130 MET HE H 1.73 0.03 1 1114 130 130 MET C C 179.09 0.40 1 1115 130 130 MET CA C 55.66 0.40 1 1116 130 130 MET CB C 29.43 0.40 1 1117 130 130 MET CG C 30.60 0.40 1 1118 130 130 MET CE C 15.05 0.40 1 1119 130 130 MET N N 119.83 0.10 1 1120 131 131 GLU H H 8.70 0.03 1 1121 131 131 GLU HA H 4.00 0.03 1 1122 131 131 GLU HB2 H 2.27 0.03 2 1123 131 131 GLU HB3 H 2.02 0.03 2 1124 131 131 GLU HG2 H 2.61 0.03 2 1125 131 131 GLU HG3 H 2.13 0.03 2 1126 131 131 GLU C C 180.10 0.40 1 1127 131 131 GLU CA C 60.19 0.40 1 1128 131 131 GLU CB C 29.33 0.40 1 1129 131 131 GLU CG C 37.59 0.40 1 1130 131 131 GLU N N 119.96 0.10 1 1131 132 132 LEU H H 7.64 0.03 1 1132 132 132 LEU HA H 4.20 0.03 1 1133 132 132 LEU HB3 H 1.95 0.03 2 1134 132 132 LEU HG H 1.81 0.03 1 1135 132 132 LEU HD1 H 0.76 0.03 2 1136 132 132 LEU HD2 H 0.86 0.03 2 1137 132 132 LEU C C 179.96 0.40 1 1138 132 132 LEU CA C 57.96 0.40 1 1139 132 132 LEU CB C 41.93 0.40 1 1140 132 132 LEU CG C 27.09 0.40 1 1141 132 132 LEU CD1 C 25.74 0.40 2 1142 132 132 LEU CD2 C 23.49 0.40 2 1143 132 132 LEU N N 120.79 0.10 1 1144 133 133 ILE H H 7.97 0.03 1 1145 133 133 ILE HA H 3.37 0.03 1 1146 133 133 ILE HB H 1.99 0.03 1 1147 133 133 ILE HG12 H 0.43 0.03 2 1148 133 133 ILE HG13 H 1.78 0.03 2 1149 133 133 ILE HG2 H 0.68 0.03 1 1150 133 133 ILE HD1 H 0.06 0.03 1 1151 133 133 ILE CA C 66.68 0.40 1 1152 133 133 ILE CB C 38.19 0.40 1 1153 133 133 ILE CG1 C 31.06 0.40 1 1154 133 133 ILE CG2 C 17.50 0.40 1 1155 133 133 ILE CD1 C 11.76 0.40 1 1156 133 133 ILE N N 120.94 0.10 1 1157 134 134 VAL H H 8.77 0.03 1 1158 134 134 VAL HA H 3.46 0.03 1 1159 134 134 VAL HB H 2.22 0.03 1 1160 134 134 VAL HG1 H 1.11 0.03 2 1161 134 134 VAL HG2 H 1.03 0.03 2 1162 134 134 VAL C C 177.61 0.40 1 1163 134 134 VAL CA C 67.82 0.40 1 1164 134 134 VAL CB C 31.59 0.40 1 1165 134 134 VAL CG1 C 23.89 0.40 2 1166 134 134 VAL CG2 C 22.03 0.40 2 1167 134 134 VAL N N 119.61 0.10 1 1168 135 135 SER H H 7.82 0.03 1 1169 135 135 SER HA H 4.17 0.03 1 1170 135 135 SER HB2 H 4.03 0.03 2 1171 135 135 SER C C 174.86 0.40 1 1172 135 135 SER CA C 61.57 0.40 1 1173 135 135 SER CB C 63.34 0.40 1 1174 135 135 SER N N 112.56 0.10 1 1175 136 136 GLN H H 7.48 0.03 1 1176 136 136 GLN HA H 4.30 0.03 1 1177 136 136 GLN HB2 H 2.21 0.03 2 1178 136 136 GLN HB3 H 2.08 0.03 2 1179 136 136 GLN HG2 H 2.34 0.03 2 1180 136 136 GLN HG3 H 2.42 0.03 2 1181 136 136 GLN C C 177.24 0.40 1 1182 136 136 GLN CA C 57.41 0.40 1 1183 136 136 GLN CB C 29.91 0.40 1 1184 136 136 GLN N N 117.08 0.10 1 1185 137 137 VAL H H 8.01 0.03 1 1186 137 137 VAL HA H 4.05 0.03 1 1187 137 137 VAL HB H 1.86 0.03 1 1188 137 137 VAL HG1 H 0.79 0.03 2 1189 137 137 VAL HG2 H 1.02 0.03 2 1190 137 137 VAL C C 175.47 0.40 1 1191 137 137 VAL CA C 63.93 0.40 1 1192 137 137 VAL CB C 33.44 0.40 1 1193 137 137 VAL CG1 C 22.27 0.40 2 1194 137 137 VAL CG2 C 22.43 0.40 2 1195 137 137 VAL N N 116.22 0.10 1 1196 138 138 HIS H H 8.60 0.03 1 1197 138 138 HIS HA H 5.18 0.03 1 1198 138 138 HIS HB2 H 2.90 0.03 2 1199 138 138 HIS HD2 H 6.77 0.03 1 1200 138 138 HIS C C 172.34 0.40 1 1201 138 138 HIS CA C 53.99 0.40 1 1202 138 138 HIS CB C 30.62 0.40 1 1203 138 138 HIS N N 118.02 0.10 1 1204 139 139 PRO HA H 4.44 0.03 1 1205 139 139 PRO HB2 H 2.02 0.03 2 1206 139 139 PRO HB3 H 2.50 0.03 2 1207 139 139 PRO HG2 H 2.05 0.03 2 1208 139 139 PRO HG3 H 1.99 0.03 2 1209 139 139 PRO HD2 H 3.67 0.03 2 1210 139 139 PRO HD3 H 3.30 0.03 2 1211 139 139 PRO CA C 64.49 0.40 1 1212 139 139 PRO CB C 31.85 0.40 1 1213 139 139 PRO CG C 27.19 0.40 1 1214 139 139 PRO CD C 50.34 0.40 1 1215 141 141 THR H H 7.97 0.03 1 1216 141 141 THR HA H 4.19 0.03 1 1217 141 141 THR HB H 4.13 0.03 1 1218 141 141 THR HG2 H 1.23 0.03 1 1219 141 141 THR CA C 63.04 0.40 1 1220 141 141 THR CB C 69.52 0.40 1 1221 141 141 THR CG2 C 21.67 0.40 1 1222 141 141 THR N N 116.80 0.10 1 1223 142 142 LYS H H 8.24 0.03 1 1224 142 142 LYS HA H 4.41 0.03 1 1225 142 142 LYS HB2 H 1.78 0.03 2 1226 142 142 LYS HB3 H 1.88 0.03 2 1227 142 142 LYS HG2 H 1.47 0.03 2 1228 142 142 LYS HD2 H 1.71 0.03 2 1229 142 142 LYS HE2 H 3.01 0.03 2 1230 142 142 LYS CA C 55.98 0.40 1 1231 142 142 LYS CB C 33.08 0.40 1 1232 142 142 LYS CG C 24.63 0.40 1 1233 142 142 LYS CD C 29.00 0.40 1 1234 142 142 LYS CE C 41.93 0.40 1 1235 142 142 LYS N N 124.98 0.10 1 1236 143 143 GLU HA H 4.28 0.03 1 1237 143 143 GLU HB2 H 1.96 0.03 2 1238 143 143 GLU HB3 H 2.08 0.03 2 1239 143 143 GLU HG2 H 2.28 0.03 2 1240 143 143 GLU CA C 56.68 0.40 1 1241 143 143 GLU CB C 30.30 0.40 1 1242 143 143 GLU CG C 36.37 0.40 1 1243 144 144 ASN HA H 4.71 0.03 1 1244 144 144 ASN HB2 H 2.77 0.03 2 1245 144 144 ASN HB3 H 2.83 0.03 2 1246 144 144 ASN CA C 53.07 0.40 1 1247 144 144 ASN CB C 38.84 0.40 1 1248 145 145 GLU HA H 4.35 0.03 1 1249 145 145 GLU HB2 H 1.94 0.03 2 1250 145 145 GLU HB3 H 2.08 0.03 2 1251 145 145 GLU HG2 H 2.31 0.03 2 1252 145 145 GLU HG3 H 2.24 0.03 2 1253 145 145 GLU C C 176.02 0.40 1 1254 145 145 GLU CA C 56.52 0.40 1 1255 145 145 GLU CB C 30.44 0.40 1 1256 145 145 GLU CG C 36.52 0.40 1 1257 146 146 ILE H H 8.01 0.03 1 1258 146 146 ILE HA H 4.13 0.03 1 1259 146 146 ILE HB H 1.81 0.03 1 1260 146 146 ILE HG12 H 1.14 0.03 2 1261 146 146 ILE HG13 H 1.41 0.03 2 1262 146 146 ILE HG2 H 0.81 0.03 1 1263 146 146 ILE HD1 H 0.81 0.03 1 1264 146 146 ILE C C 174.87 0.40 1 1265 146 146 ILE CA C 60.81 0.40 1 1266 146 146 ILE CB C 38.81 0.40 1 1267 146 146 ILE CG1 C 27.12 0.40 1 1268 146 146 ILE CG2 C 17.50 0.40 1 1269 146 146 ILE CD1 C 12.81 0.40 1 1270 146 146 ILE N N 121.51 0.10 1 1271 147 147 TYR H H 7.47 0.03 1 1272 147 147 TYR HA H 4.97 0.03 1 1273 147 147 TYR HB2 H 3.10 0.03 2 1274 147 147 TYR HD1 H 7.01 0.03 3 1275 147 147 TYR HE1 H 6.86 0.03 3 1276 147 147 TYR C C 172.79 0.40 1 1277 147 147 TYR CA C 54.58 0.40 1 1278 147 147 TYR CB C 37.91 0.40 1 1279 147 147 TYR CD1 C 134.29 0.40 3 1280 147 147 TYR CE1 C 117.96 0.40 3 1281 147 147 TYR N N 122.84 0.10 1 1282 148 148 PRO HA H 4.46 0.03 1 1283 148 148 PRO HB2 H 1.97 0.03 2 1284 148 148 PRO HB3 H 2.32 0.03 2 1285 148 148 PRO HG2 H 2.03 0.03 2 1286 148 148 PRO HG3 H 1.96 0.03 2 1287 148 148 PRO HD2 H 3.78 0.03 2 1288 148 148 PRO CA C 62.93 0.40 1 1289 148 148 PRO CB C 32.11 0.40 1 1290 148 148 PRO CG C 28.05 0.40 1 1291 148 148 PRO CD C 50.34 0.40 1 1292 149 149 VAL H H 8.16 0.03 1 1293 149 149 VAL HA H 4.26 0.03 1 1294 149 149 VAL HB H 2.02 0.03 1 1295 149 149 VAL HG1 H 0.95 0.03 2 1296 149 149 VAL C C 175.98 0.40 1 1297 149 149 VAL CA C 61.89 0.40 1 1298 149 149 VAL CB C 33.45 0.40 1 1299 149 149 VAL CG1 C 21.12 0.40 2 1300 149 149 VAL N N 122.11 0.10 1 1301 150 150 TRP H H 8.81 0.03 1 1302 150 150 TRP HE3 H 7.50 0.03 1 1303 150 150 TRP HZ2 H 7.15 0.03 1 1304 150 150 TRP HZ3 H 6.97 0.03 1 1305 150 150 TRP HH2 H 6.86 0.03 1 1306 150 150 TRP C C 175.91 0.40 1 1307 150 150 TRP CA C 57.21 0.40 1 1308 150 150 TRP CE3 C 120.73 0.40 1 1309 150 150 TRP CZ2 C 113.90 0.40 1 1310 150 150 TRP CZ3 C 122.52 0.40 1 1311 150 150 TRP CH2 C 124.04 0.40 1 1312 150 150 TRP N N 127.83 0.10 1 1313 151 151 SER HA H 4.36 0.03 1 1314 151 151 SER HB2 H 3.69 0.03 2 1315 151 151 SER HB3 H 3.77 0.03 2 1316 151 151 SER CA C 57.45 0.40 1 1317 151 151 SER CB C 63.16 0.40 1 1318 153 153 LEU HA H 4.11 0.03 1 1319 153 153 LEU HB2 H 1.57 0.03 2 1320 153 153 LEU HB3 H 1.78 0.03 2 1321 153 153 LEU HG H 1.72 0.03 1 1322 153 153 LEU HD1 H 0.79 0.03 2 1323 153 153 LEU HD2 H 0.35 0.03 2 1324 153 153 LEU CA C 56.35 0.40 1 1325 153 153 LEU CB C 41.78 0.40 1 1326 153 153 LEU CG C 26.99 0.40 1 1327 153 153 LEU CD1 C 24.73 0.40 2 1328 153 153 LEU CD2 C 21.66 0.40 2 1329 156 156 LEU HA H 3.92 0.03 1 1330 156 156 LEU HB2 H 1.03 0.03 2 1331 156 156 LEU HB3 H 1.46 0.03 2 1332 156 156 LEU HG H 1.25 0.03 1 1333 156 156 LEU HD1 H 0.81 0.03 2 1334 156 156 LEU HD2 H 0.57 0.03 2 1335 156 156 LEU CA C 58.17 0.40 1 1336 156 156 LEU CB C 39.33 0.40 1 1337 156 156 LEU CG C 26.93 0.40 1 1338 156 156 LEU CD1 C 23.35 0.40 2 1339 156 156 LEU CD2 C 24.82 0.40 2 1340 158 158 MET HA H 4.33 0.03 1 1341 158 158 MET HB2 H 2.01 0.03 2 1342 158 158 MET HB3 H 2.16 0.03 2 1343 158 158 MET HG2 H 2.80 0.03 2 1344 158 158 MET HG3 H 2.73 0.03 2 1345 158 158 MET HE H 2.13 0.03 1 1346 158 158 MET CA C 56.03 0.40 1 1347 158 158 MET CB C 33.35 0.40 1 1348 158 158 MET CG C 32.55 0.40 1 1349 158 158 MET CE C 17.26 0.40 1 1350 159 159 ALA HA H 4.20 0.03 1 1351 159 159 ALA HB H 1.48 0.03 1 1352 159 159 ALA C C 178.01 0.40 1 1353 159 159 ALA CA C 53.54 0.40 1 1354 159 159 ALA CB C 19.12 0.40 1 1355 160 160 ASP H H 7.84 0.03 1 1356 160 160 ASP HA H 4.63 0.03 1 1357 160 160 ASP HB2 H 2.83 0.03 2 1358 160 160 ASP HB3 H 2.67 0.03 2 1359 160 160 ASP C C 175.67 0.40 1 1360 160 160 ASP CA C 53.81 0.40 1 1361 160 160 ASP CB C 42.33 0.40 1 1362 160 160 ASP N N 117.42 0.10 1 1363 161 161 GLU C C 177.74 0.40 1 1364 162 162 GLU H H 8.58 0.03 1 1365 162 162 GLU HA H 3.80 0.03 1 1366 162 162 GLU HB2 H 2.00 0.03 2 1367 162 162 GLU HG2 H 2.23 0.03 2 1368 162 162 GLU HG3 H 2.08 0.03 2 1369 162 162 GLU C C 179.40 0.40 1 1370 162 162 GLU CA C 60.37 0.40 1 1371 162 162 GLU CB C 29.16 0.40 1 1372 162 162 GLU CG C 36.82 0.40 1 1373 162 162 GLU N N 118.23 0.10 1 1374 163 163 SER H H 8.09 0.03 1 1375 163 163 SER HA H 3.99 0.03 1 1376 163 163 SER C C 176.94 0.40 1 1377 163 163 SER CA C 62.13 0.40 1 1378 163 163 SER CB C 62.77 0.40 1 1379 163 163 SER N N 116.13 0.10 1 1380 164 164 ARG H H 8.34 0.03 1 1381 164 164 ARG HA H 4.25 0.03 1 1382 164 164 ARG HB2 H 2.09 0.03 2 1383 164 164 ARG HB3 H 1.91 0.03 2 1384 164 164 ARG HG2 H 1.57 0.03 2 1385 164 164 ARG HG3 H 1.96 0.03 2 1386 164 164 ARG HD2 H 3.50 0.03 2 1387 164 164 ARG HD3 H 3.42 0.03 2 1388 164 164 ARG C C 178.27 0.40 1 1389 164 164 ARG CA C 59.79 0.40 1 1390 164 164 ARG CB C 30.81 0.40 1 1391 164 164 ARG CG C 28.15 0.40 1 1392 164 164 ARG CD C 43.75 0.40 1 1393 164 164 ARG N N 124.21 0.10 1 1394 165 165 LEU H H 8.77 0.03 1 1395 165 165 LEU HA H 4.32 0.03 1 1396 165 165 LEU HB2 H 1.42 0.03 2 1397 165 165 LEU HG H 2.01 0.03 1 1398 165 165 LEU HD1 H 0.99 0.03 2 1399 165 165 LEU HD2 H 0.73 0.03 2 1400 165 165 LEU C C 179.77 0.40 1 1401 165 165 LEU CA C 58.55 0.40 1 1402 165 165 LEU CB C 41.81 0.40 1 1403 165 165 LEU CG C 27.22 0.40 1 1404 165 165 LEU CD1 C 25.80 0.40 2 1405 165 165 LEU CD2 C 22.38 0.40 2 1406 165 165 LEU N N 117.79 0.10 1 1407 166 166 SER H H 8.05 0.03 1 1408 166 166 SER HA H 4.14 0.03 1 1409 166 166 SER HB2 H 3.97 0.03 2 1410 166 166 SER HB3 H 4.04 0.03 2 1411 166 166 SER CA C 61.88 0.40 1 1412 166 166 SER CB C 62.72 0.40 1 1413 166 166 SER N N 113.77 0.10 1 1414 167 167 ALA H H 7.90 0.03 1 1415 167 167 ALA HA H 4.33 0.03 1 1416 167 167 ALA HB H 1.57 0.03 1 1417 167 167 ALA C C 181.65 0.40 1 1418 167 167 ALA CA C 55.42 0.40 1 1419 167 167 ALA CB C 18.53 0.40 1 1420 167 167 ALA N N 125.15 0.10 1 1421 168 168 TYR H H 8.48 0.03 1 1422 168 168 TYR HA H 3.95 0.03 1 1423 168 168 TYR HB2 H 3.11 0.03 2 1424 168 168 TYR HD1 H 7.01 0.03 3 1425 168 168 TYR HE1 H 6.72 0.03 3 1426 168 168 TYR C C 177.20 0.40 1 1427 168 168 TYR CA C 62.67 0.40 1 1428 168 168 TYR CB C 39.62 0.40 1 1429 168 168 TYR CD1 C 131.99 0.40 3 1430 168 168 TYR CE1 C 117.89 0.40 3 1431 168 168 TYR N N 119.69 0.10 1 1432 169 169 TYR H H 8.75 0.03 1 1433 169 169 TYR HA H 3.78 0.03 1 1434 169 169 TYR HB2 H 3.27 0.03 2 1435 169 169 TYR HB3 H 3.48 0.03 2 1436 169 169 TYR HD1 H 7.26 0.03 3 1437 169 169 TYR HE1 H 6.88 0.03 3 1438 169 169 TYR C C 177.26 0.40 1 1439 169 169 TYR CA C 62.73 0.40 1 1440 169 169 TYR CB C 39.08 0.40 1 1441 169 169 TYR CD1 C 133.57 0.40 3 1442 169 169 TYR CE1 C 118.55 0.40 3 1443 169 169 TYR N N 120.20 0.10 1 1444 170 170 ASN H H 8.51 0.03 1 1445 170 170 ASN HA H 4.54 0.03 1 1446 170 170 ASN HB2 H 3.05 0.03 2 1447 170 170 ASN HB3 H 3.14 0.03 2 1448 170 170 ASN C C 177.31 0.40 1 1449 170 170 ASN CA C 57.08 0.40 1 1450 170 170 ASN CB C 39.39 0.40 1 1451 170 170 ASN N N 116.03 0.10 1 1452 171 171 LEU H H 8.12 0.03 1 1453 171 171 LEU HA H 4.34 0.03 1 1454 171 171 LEU HB2 H 1.99 0.03 2 1455 171 171 LEU HB3 H 1.89 0.03 2 1456 171 171 LEU HG H 0.92 0.03 1 1457 171 171 LEU HD1 H 1.00 0.03 2 1458 171 171 LEU C C 178.80 0.40 1 1459 171 171 LEU CA C 59.04 0.40 1 1460 171 171 LEU CB C 42.70 0.40 1 1461 171 171 LEU CG C 26.19 0.40 1 1462 171 171 LEU CD1 C 25.25 0.40 2 1463 171 171 LEU N N 121.71 0.10 1 1464 172 172 LEU H H 8.54 0.03 1 1465 172 172 LEU HA H 4.03 0.03 1 1466 172 172 LEU HB2 H 1.91 0.03 2 1467 172 172 LEU HB3 H 1.54 0.03 2 1468 172 172 LEU HG H 1.90 0.03 1 1469 172 172 LEU HD1 H 0.50 0.03 2 1470 172 172 LEU HD2 H 0.79 0.03 2 1471 172 172 LEU C C 179.94 0.40 1 1472 172 172 LEU CA C 57.93 0.40 1 1473 172 172 LEU CB C 41.82 0.40 1 1474 172 172 LEU CG C 27.51 0.40 1 1475 172 172 LEU CD1 C 25.45 0.40 2 1476 172 172 LEU CD2 C 23.62 0.40 2 1477 172 172 LEU N N 117.94 0.10 1 1478 173 173 HIS H H 8.95 0.03 1 1479 173 173 HIS HA H 3.55 0.03 1 1480 173 173 HIS HB2 H 3.32 0.03 2 1481 173 173 HIS HB3 H 2.91 0.03 2 1482 173 173 HIS CA C 60.57 0.40 1 1483 173 173 HIS CB C 30.51 0.40 1 1484 173 173 HIS N N 122.99 0.10 1 1485 174 174 CYS H H 8.63 0.03 1 1486 174 174 CYS HA H 4.25 0.03 1 1487 174 174 CYS HB2 H 3.46 0.03 2 1488 174 174 CYS HB3 H 3.71 0.03 2 1489 174 174 CYS C C 175.84 0.40 1 1490 174 174 CYS CA C 59.43 0.40 1 1491 174 174 CYS CB C 39.26 0.40 1 1492 174 174 CYS N N 119.68 0.10 1 1493 175 175 LEU H H 8.70 0.03 1 1494 175 175 LEU HA H 3.27 0.03 1 1495 175 175 LEU HB2 H 0.96 0.03 2 1496 175 175 LEU HB3 H 1.66 0.03 2 1497 175 175 LEU HG H 1.10 0.03 1 1498 175 175 LEU HD1 H 0.61 0.03 1 1499 175 175 LEU HD2 H -0.32 0.03 1 1500 175 175 LEU C C 179.07 0.40 1 1501 175 175 LEU CA C 57.79 0.40 1 1502 175 175 LEU CB C 40.70 0.40 1 1503 175 175 LEU CG C 26.38 0.40 1 1504 175 175 LEU CD1 C 25.86 0.40 1 1505 175 175 LEU CD2 C 19.45 0.40 1 1506 175 175 LEU N N 123.82 0.10 1 1507 176 176 ARG H H 7.92 0.03 1 1508 176 176 ARG HA H 3.95 0.03 1 1509 176 176 ARG HB2 H 1.82 0.03 2 1510 176 176 ARG HG2 H 1.56 0.03 2 1511 176 176 ARG HG3 H 1.53 0.03 2 1512 176 176 ARG HD2 H 2.74 0.03 2 1513 176 176 ARG HD3 H 3.13 0.03 2 1514 176 176 ARG C C 177.62 0.40 1 1515 176 176 ARG CA C 59.50 0.40 1 1516 176 176 ARG CB C 29.70 0.40 1 1517 176 176 ARG CG C 26.64 0.40 1 1518 176 176 ARG CD C 43.76 0.40 1 1519 176 176 ARG N N 122.09 0.10 1 1520 177 177 ARG H H 7.83 0.03 1 1521 177 177 ARG HA H 3.97 0.03 1 1522 177 177 ARG HB2 H 1.78 0.03 2 1523 177 177 ARG HG2 H 1.43 0.03 2 1524 177 177 ARG HD2 H 3.27 0.03 2 1525 177 177 ARG C C 179.46 0.40 1 1526 177 177 ARG CA C 59.11 0.40 1 1527 177 177 ARG CB C 30.27 0.40 1 1528 177 177 ARG CG C 26.78 0.40 1 1529 177 177 ARG CD C 43.48 0.40 1 1530 177 177 ARG N N 119.29 0.10 1 1531 178 178 ASP H H 8.98 0.03 1 1532 178 178 ASP HA H 4.49 0.03 1 1533 178 178 ASP HB2 H 2.78 0.03 2 1534 178 178 ASP C C 178.57 0.40 1 1535 178 178 ASP CA C 57.59 0.40 1 1536 178 178 ASP CB C 38.83 0.40 1 1537 178 178 ASP N N 121.76 0.10 1 1538 179 179 SER H H 8.67 0.03 1 1539 179 179 SER HA H 3.95 0.03 1 1540 179 179 SER CA C 62.31 0.40 1 1541 179 179 SER N N 115.94 0.10 1 1542 180 180 HIS H H 7.72 0.03 1 1543 180 180 HIS HA H 3.46 0.03 1 1544 180 180 HIS HB2 H 2.93 0.03 2 1545 180 180 HIS HB3 H 3.25 0.03 2 1546 180 180 HIS HD2 H 6.69 0.03 1 1547 180 180 HIS C C 176.97 0.40 1 1548 180 180 HIS CA C 59.40 0.40 1 1549 180 180 HIS CB C 30.44 0.40 1 1550 180 180 HIS N N 125.50 0.10 1 1551 181 181 LYS H H 7.69 0.03 1 1552 181 181 LYS HA H 3.44 0.03 1 1553 181 181 LYS HB2 H 1.43 0.03 2 1554 181 181 LYS HB3 H 1.88 0.03 2 1555 181 181 LYS HG2 H 1.28 0.03 2 1556 181 181 LYS HG3 H 1.55 0.03 2 1557 181 181 LYS HD2 H 1.72 0.03 2 1558 181 181 LYS HE2 H 2.94 0.03 2 1559 181 181 LYS C C 177.10 0.40 1 1560 181 181 LYS CA C 59.79 0.40 1 1561 181 181 LYS CB C 32.14 0.40 1 1562 181 181 LYS CG C 25.39 0.40 1 1563 181 181 LYS CD C 29.69 0.40 1 1564 181 181 LYS CE C 41.86 0.40 1 1565 181 181 LYS N N 118.71 0.10 1 1566 182 182 ILE H H 8.16 0.03 1 1567 182 182 ILE HA H 3.42 0.03 1 1568 182 182 ILE HB H 1.91 0.03 1 1569 182 182 ILE HG12 H 1.73 0.03 2 1570 182 182 ILE HG13 H 1.30 0.03 2 1571 182 182 ILE HG2 H 0.95 0.03 1 1572 182 182 ILE HD1 H 0.85 0.03 1 1573 182 182 ILE C C 176.74 0.40 1 1574 182 182 ILE CA C 65.25 0.40 1 1575 182 182 ILE CB C 37.56 0.40 1 1576 182 182 ILE CG1 C 28.86 0.40 1 1577 182 182 ILE CG2 C 17.89 0.40 1 1578 182 182 ILE CD1 C 13.06 0.40 1 1579 182 182 ILE N N 115.73 0.10 1 1580 183 183 ASP H H 7.38 0.03 1 1581 183 183 ASP HA H 4.45 0.03 1 1582 183 183 ASP HB2 H 2.57 0.03 2 1583 183 183 ASP HB3 H 2.52 0.03 2 1584 183 183 ASP C C 177.42 0.40 1 1585 183 183 ASP CA C 57.79 0.40 1 1586 183 183 ASP CB C 42.35 0.40 1 1587 183 183 ASP N N 118.43 0.10 1 1588 184 184 ASN H H 7.85 0.03 1 1589 184 184 ASN HA H 4.24 0.03 1 1590 184 184 ASN HB2 H 2.59 0.03 2 1591 184 184 ASN HB3 H 2.55 0.03 2 1592 184 184 ASN C C 178.84 0.40 1 1593 184 184 ASN CA C 56.35 0.40 1 1594 184 184 ASN CB C 38.28 0.40 1 1595 184 184 ASN N N 115.90 0.10 1 1596 185 185 TYR H H 9.08 0.03 1 1597 185 185 TYR HA H 4.53 0.03 1 1598 185 185 TYR HB2 H 2.99 0.03 2 1599 185 185 TYR HB3 H 3.19 0.03 2 1600 185 185 TYR HD1 H 6.87 0.03 3 1601 185 185 TYR HE1 H 6.73 0.03 3 1602 185 185 TYR C C 178.37 0.40 1 1603 185 185 TYR CA C 57.38 0.40 1 1604 185 185 TYR CB C 37.20 0.40 1 1605 185 185 TYR CD1 C 130.87 0.40 3 1606 185 185 TYR CE1 C 117.77 0.40 3 1607 185 185 TYR N N 119.45 0.10 1 1608 186 186 LEU H H 8.92 0.03 1 1609 186 186 LEU HA H 4.08 0.03 1 1610 186 186 LEU HB2 H 1.52 0.03 2 1611 186 186 LEU HB3 H 2.22 0.03 2 1612 186 186 LEU HG H 1.89 0.03 1 1613 186 186 LEU HD1 H 1.00 0.03 2 1614 186 186 LEU HD2 H 1.00 0.03 2 1615 186 186 LEU C C 179.19 0.40 1 1616 186 186 LEU CA C 58.46 0.40 1 1617 186 186 LEU CB C 41.90 0.40 1 1618 186 186 LEU CG C 27.92 0.40 1 1619 186 186 LEU CD1 C 24.06 0.40 2 1620 186 186 LEU CD2 C 25.98 0.40 2 1621 186 186 LEU N N 120.92 0.10 1 1622 187 187 LYS H H 7.92 0.03 1 1623 187 187 LYS HA H 3.90 0.03 1 1624 187 187 LYS HB2 H 1.90 0.03 2 1625 187 187 LYS C C 179.85 0.40 1 1626 187 187 LYS CA C 60.86 0.40 1 1627 187 187 LYS CB C 32.38 0.40 1 1628 187 187 LYS N N 118.98 0.10 1 1629 188 188 LEU H H 7.78 0.03 1 1630 188 188 LEU HA H 4.21 0.03 1 1631 188 188 LEU HB2 H 1.75 0.03 2 1632 188 188 LEU HB3 H 1.94 0.03 2 1633 188 188 LEU HG H 0.97 0.03 1 1634 188 188 LEU HD1 H 0.86 0.03 2 1635 188 188 LEU C C 179.75 0.40 1 1636 188 188 LEU CA C 58.02 0.40 1 1637 188 188 LEU CB C 41.84 0.40 1 1638 188 188 LEU CG C 25.26 0.40 1 1639 188 188 LEU CD1 C 24.68 0.40 2 1640 188 188 LEU N N 121.20 0.10 1 1641 189 189 LEU H H 8.70 0.03 1 1642 189 189 LEU HA H 4.08 0.03 1 1643 189 189 LEU HB2 H 1.52 0.03 2 1644 189 189 LEU HB3 H 1.87 0.03 2 1645 189 189 LEU HG H 1.57 0.03 1 1646 189 189 LEU HD1 H 0.87 0.03 2 1647 189 189 LEU HD2 H 0.69 0.03 2 1648 189 189 LEU C C 178.00 0.40 1 1649 189 189 LEU CA C 57.98 0.40 1 1650 189 189 LEU CB C 42.19 0.40 1 1651 189 189 LEU CG C 27.09 0.40 1 1652 189 189 LEU CD1 C 24.18 0.40 2 1653 189 189 LEU CD2 C 25.19 0.40 2 1654 189 189 LEU N N 120.99 0.10 1 1655 190 190 LYS H H 8.61 0.03 1 1656 190 190 LYS HA H 3.91 0.03 1 1657 190 190 LYS HB2 H 1.76 0.03 2 1658 190 190 LYS HG2 H 1.32 0.03 2 1659 190 190 LYS HD2 H 1.77 0.03 2 1660 190 190 LYS HE2 H 3.11 0.03 2 1661 190 190 LYS HE3 H 2.95 0.03 2 1662 190 190 LYS C C 178.10 0.40 1 1663 190 190 LYS CA C 60.19 0.40 1 1664 190 190 LYS CB C 32.76 0.40 1 1665 190 190 LYS CG C 26.16 0.40 1 1666 190 190 LYS CD C 30.18 0.40 1 1667 190 190 LYS CE C 41.82 0.40 1 1668 190 190 LYS N N 120.43 0.10 1 1669 191 191 CYS H H 7.71 0.03 1 1670 191 191 CYS HA H 4.22 0.03 1 1671 191 191 CYS HB2 H 3.37 0.03 2 1672 191 191 CYS HB3 H 3.46 0.03 2 1673 191 191 CYS CA C 60.20 0.40 1 1674 191 191 CYS CB C 41.88 0.40 1 1675 191 191 CYS N N 116.68 0.10 1 1676 192 192 ARG H H 8.08 0.03 1 1677 192 192 ARG HA H 4.02 0.03 1 1678 192 192 ARG HB2 H 1.98 0.03 2 1679 192 192 ARG C C 177.79 0.40 1 1680 192 192 ARG CA C 59.60 0.40 1 1681 192 192 ARG CB C 31.53 0.40 1 1682 192 192 ARG N N 118.81 0.10 1 1683 193 193 ILE H H 8.31 0.03 1 1684 193 193 ILE HA H 3.88 0.03 1 1685 193 193 ILE HB H 1.48 0.03 1 1686 193 193 ILE HG12 H 1.62 0.03 2 1687 193 193 ILE HG2 H 0.84 0.03 1 1688 193 193 ILE HD1 H 0.85 0.03 1 1689 193 193 ILE C C 176.79 0.40 1 1690 193 193 ILE CA C 63.90 0.40 1 1691 193 193 ILE CB C 38.41 0.40 1 1692 193 193 ILE CG1 C 29.08 0.40 1 1693 193 193 ILE CG2 C 17.34 0.40 1 1694 193 193 ILE CD1 C 13.56 0.40 1 1695 193 193 ILE N N 116.32 0.10 1 1696 194 194 ILE H H 7.86 0.03 1 1697 194 194 ILE HA H 4.00 0.03 1 1698 194 194 ILE HB H 1.80 0.03 1 1699 194 194 ILE HG12 H 1.67 0.03 2 1700 194 194 ILE HG13 H 1.05 0.03 2 1701 194 194 ILE HG2 H 0.42 0.03 1 1702 194 194 ILE HD1 H 0.63 0.03 1 1703 194 194 ILE C C 176.91 0.40 1 1704 194 194 ILE CA C 60.36 0.40 1 1705 194 194 ILE CB C 35.94 0.40 1 1706 194 194 ILE CG1 C 27.32 0.40 1 1707 194 194 ILE CG2 C 17.07 0.40 1 1708 194 194 ILE CD1 C 10.09 0.40 1 1709 194 194 ILE N N 117.06 0.10 1 1710 196 196 ASN HA H 4.55 0.03 1 1711 196 196 ASN HB2 H 2.69 0.03 2 1712 196 196 ASN HB3 H 3.09 0.03 2 1713 196 196 ASN CA C 54.44 0.40 1 1714 196 196 ASN CB C 37.72 0.40 1 1715 197 197 ASN HA H 4.49 0.03 1 1716 197 197 ASN HB2 H 2.93 0.03 2 1717 197 197 ASN HB3 H 3.03 0.03 2 1718 197 197 ASN CA C 54.15 0.40 1 1719 197 197 ASN CB C 38.63 0.40 1 1720 198 198 ASN HA H 4.91 0.03 1 1721 198 198 ASN HB2 H 2.78 0.03 2 1722 198 198 ASN HB3 H 2.95 0.03 2 1723 198 198 ASN C C 173.85 0.40 1 1724 198 198 ASN CA C 52.96 0.40 1 1725 198 198 ASN CB C 38.13 0.40 1 1726 199 199 CYS H H 7.75 0.03 1 1727 199 199 CYS HA H 4.30 0.03 1 1728 199 199 CYS HB2 H 3.26 0.03 2 1729 199 199 CYS HB3 H 3.20 0.03 2 1730 199 199 CYS C C 178.44 0.40 1 1731 199 199 CYS CA C 56.55 0.40 1 1732 199 199 CYS CB C 45.10 0.40 1 1733 199 199 CYS N N 123.05 0.10 1 stop_ save_