data_6315 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for TcUBP1 (GQ) (backbone + side chains) ; _BMRB_accession_number 6315 _BMRB_flat_file_name bmr6315.str _Entry_type original _Submission_date 2004-09-09 _Accession_date 2004-09-09 _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 Volpon Laurent . . 2 D'orso Ivan . . 3 Gehring Kalle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 619 "13C chemical shifts" 486 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-05-03 original author . stop_ _Original_release_date 2005-05-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structural study of TcUBP1, a single RRM domain protein from Trypanosoma cruzi: contribution of a beta hairpin to RNA binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15751947 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volpon Laurent . . 2 D'orso Ivan . . 3 Young Christopher R. . 4 Frasch Alberto C. . 5 Gehring Kalle . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3708 _Page_last 3717 _Year 2005 _Details . loop_ _Keyword TcUBP1 'a U-rich RNA binding protein in Trypanosoma cruzi' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system_TcUBP1 _Saveframe_category molecular_system _Mol_system_name TcUBP1 _Abbreviation_common TcUBP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TcUBP1 $TcUBP1 stop_ _System_molecular_weight 15413.4 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'mRNA destabilization factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TcUBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TcUBP1 _Abbreviation_common TcUBP1 _Molecular_mass 15413.4 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; MSQIPLVSQYDPYGQTAQLQ QLQQQQQQHIPPTQMNPEPD VLRNLMVNYIPTTVDEVQLR QLFERYGPIESVKIVCDRET RQSRGYGFVKFQSGSSAQQA IAGLNGFNILNKRLKVALAA SGHQRPGIAGAVGDGNGYL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLN 4 ILE 5 PRO 6 LEU 7 VAL 8 SER 9 GLN 10 TYR 11 ASP 12 PRO 13 TYR 14 GLY 15 GLN 16 THR 17 ALA 18 GLN 19 LEU 20 GLN 21 GLN 22 LEU 23 GLN 24 GLN 25 GLN 26 GLN 27 GLN 28 GLN 29 HIS 30 ILE 31 PRO 32 PRO 33 THR 34 GLN 35 MET 36 ASN 37 PRO 38 GLU 39 PRO 40 ASP 41 VAL 42 LEU 43 ARG 44 ASN 45 LEU 46 MET 47 VAL 48 ASN 49 TYR 50 ILE 51 PRO 52 THR 53 THR 54 VAL 55 ASP 56 GLU 57 VAL 58 GLN 59 LEU 60 ARG 61 GLN 62 LEU 63 PHE 64 GLU 65 ARG 66 TYR 67 GLY 68 PRO 69 ILE 70 GLU 71 SER 72 VAL 73 LYS 74 ILE 75 VAL 76 CYS 77 ASP 78 ARG 79 GLU 80 THR 81 ARG 82 GLN 83 SER 84 ARG 85 GLY 86 TYR 87 GLY 88 PHE 89 VAL 90 LYS 91 PHE 92 GLN 93 SER 94 GLY 95 SER 96 SER 97 ALA 98 GLN 99 GLN 100 ALA 101 ILE 102 ALA 103 GLY 104 LEU 105 ASN 106 GLY 107 PHE 108 ASN 109 ILE 110 LEU 111 ASN 112 LYS 113 ARG 114 LEU 115 LYS 116 VAL 117 ALA 118 LEU 119 ALA 120 ALA 121 SER 122 GLY 123 HIS 124 GLN 125 ARG 126 PRO 127 GLY 128 ILE 129 ALA 130 GLY 131 ALA 132 VAL 133 GLY 134 ASP 135 GLY 136 ASN 137 GLY 138 TYR 139 LEU 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 PDB 1U6F "Nmr Solution Structure Of Tcubp1, A Single Rbd-Unit From Trypanosoma Cruzi" 100.00 139 100.00 100.00 4.51e-95 GB AAK53819 "RNA-binding protein UBP1 [Trypanosoma cruzi]" 100.00 224 100.00 100.00 1.99e-94 GB AAM74138 "U-rich RNA-binding protein UBP-2 [Trypanosoma cruzi]" 65.47 166 97.80 98.90 1.90e-56 GB AAP42139 "RNA-binding protein UBP-1 [Trypanosoma cruzi]" 100.00 224 100.00 100.00 1.99e-94 GB EAN98684 "U-rich RNA-binding protein UBP-2 [Trypanosoma cruzi]" 65.47 166 97.80 98.90 1.18e-56 GB EAN98700 "RNA-binding protein, putative [Trypanosoma cruzi]" 100.00 224 99.28 99.28 1.01e-93 REF XP_820535 "U-rich RNA-binding protein UBP-2 [Trypanosoma cruzi strain CL Brener]" 65.47 166 97.80 98.90 1.18e-56 REF XP_820551 "RNA-binding protein [Trypanosoma cruzi strain CL Brener]" 100.00 224 99.28 99.28 1.01e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TcUBP1 'Trypanosoma cruzi' 5693 Eukaryota . Trypanosoma cruzi 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 $TcUBP1 'recombinant technology' 'Escherichia coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; In M9 minimal medium containing 0.5 g of 15N-NH4Cl and/or 2 g of 13C6-Glucose per liter of media + 100 mg/ml of ampicilin. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TcUBP1 1.5 mM 1.4 1.6 '[U-13C; U-15N]' Tris 50 mM . . . NaCl 50 mM . . . DTT 1 mM . . . NaN3 1 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.1 pH temperature 298 0.1 K pressure 1 0 atm 'ionic strength' 0.05 0.005 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label water H 1 protons ppm 4.772925 external indirect . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 $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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name TcUBP1 _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 MET HA H 4.49 0.02 1 2 . 1 MET HB2 H 1.95 0.02 2 3 . 1 MET HB3 H 2.05 0.02 2 4 . 1 MET HG2 H 2.53 0.02 2 5 . 1 MET C C 176.00 0.1 1 6 . 1 MET CA C 55.09 0.1 1 7 . 1 MET CB C 32.31 0.1 1 8 . 1 MET CG C 31.69 0.1 1 9 . 2 SER H H 8.22 0.02 1 10 . 2 SER HA H 4.29 0.02 1 11 . 2 SER HB2 H 3.78 0.02 2 12 . 2 SER C C 175.05 0.1 1 13 . 2 SER CA C 57.59 0.1 1 14 . 2 SER CB C 63.25 0.1 1 15 . 2 SER N N 115.81 0.1 1 16 . 3 GLN H H 8.29 0.02 1 17 . 3 GLN HA H 4.48 0.02 1 18 . 3 GLN HB2 H 1.82 0.02 2 19 . 3 GLN HB3 H 1.94 0.02 2 20 . 3 GLN HG2 H 2.23 0.02 2 21 . 3 GLN C C 175.65 0.1 1 22 . 3 GLN CA C 55.15 0.1 1 23 . 3 GLN CB C 28.93 0.1 1 24 . 3 GLN CG C 33.30 0.1 1 25 . 3 GLN N N 121.29 0.1 1 26 . 4 ILE H H 8.04 0.02 1 27 . 4 ILE HA H 4.42 0.02 1 28 . 4 ILE HB H 1.78 0.02 1 29 . 4 ILE HG12 H 1.08 0.02 2 30 . 4 ILE HG13 H 1.41 0.02 2 31 . 4 ILE HG2 H 0.83 0.02 1 32 . 4 ILE CA C 58.31 0.1 1 33 . 4 ILE CB C 38.06 0.1 1 34 . 4 ILE N N 122.69 0.1 1 35 . 5 PRO HA H 4.33 0.02 1 36 . 5 PRO HB2 H 1.82 0.02 2 37 . 5 PRO HB3 H 1.94 0.02 2 38 . 5 PRO HG2 H 2.19 0.02 2 39 . 5 PRO HD2 H 3.61 0.02 2 40 . 5 PRO HD3 H 3.79 0.02 2 41 . 5 PRO C C 176.17 0.1 1 42 . 5 PRO CA C 62.57 0.1 1 43 . 5 PRO CB C 31.56 0.1 1 44 . 5 PRO CG C 26.80 0.1 1 45 . 5 PRO CD C 50.46 0.1 1 46 . 6 LEU H H 8.19 0.02 1 47 . 6 LEU HA H 5.01 0.02 1 48 . 6 LEU HB2 H 1.55 0.02 2 49 . 6 LEU HD1 H 0.83 0.02 2 50 . 6 LEU C C 176.62 0.1 1 51 . 6 LEU CA C 54.81 0.1 1 52 . 6 LEU CB C 41.86 0.1 1 53 . 6 LEU CG C 26.43 0.1 1 54 . 6 LEU CD1 C 23.41 0.1 2 55 . 6 LEU CD2 C 24.15 0.1 2 56 . 6 LEU N N 121.87 0.1 1 57 . 7 VAL H H 7.98 0.02 1 58 . 7 VAL HA H 4.08 0.02 1 59 . 7 VAL HB H 2.00 0.02 1 60 . 7 VAL HG1 H 0.85 0.02 1 61 . 7 VAL HG2 H 0.85 0.02 1 62 . 7 VAL C C 175.88 0.1 1 63 . 7 VAL CA C 61.52 0.1 1 64 . 7 VAL CB C 32.24 0.1 1 65 . 7 VAL CG1 C 20.29 0.1 2 66 . 7 VAL N N 119.66 0.1 1 67 . 8 SER H H 8.23 0.02 1 68 . 8 SER HA H 4.36 0.02 1 69 . 8 SER HB2 H 3.77 0.02 2 70 . 8 SER C C 175.06 0.1 1 71 . 8 SER CA C 57.42 0.1 1 72 . 8 SER CB C 63.38 0.1 1 73 . 8 SER N N 118.17 0.1 1 74 . 9 GLN H H 8.27 0.02 1 75 . 9 GLN HA H 4.48 0.02 1 76 . 9 GLN HB2 H 1.90 0.02 2 77 . 9 GLN HG2 H 2.25 0.02 2 78 . 9 GLN C C 175.52 0.1 1 79 . 9 GLN CA C 55.41 0.1 1 80 . 9 GLN CB C 28.77 0.1 1 81 . 9 GLN CG C 33.14 0.1 1 82 . 9 GLN N N 121.24 0.1 1 83 . 10 TYR H H 8.06 0.02 1 84 . 10 TYR HA H 4.51 0.02 1 85 . 10 TYR HB2 H 2.84 0.02 2 86 . 10 TYR HB3 H 3.03 0.02 2 87 . 10 TYR C C 175.19 0.1 1 88 . 10 TYR CA C 57.13 0.1 1 89 . 10 TYR CB C 38.30 0.1 1 90 . 10 TYR N N 120.29 0.1 1 91 . 11 ASP H H 8.06 0.02 1 92 . 11 ASP HA H 4.38 0.02 1 93 . 11 ASP HB2 H 2.60 0.02 2 94 . 11 ASP HB3 H 2.64 0.02 2 95 . 11 ASP CA C 50.93 0.1 1 96 . 11 ASP CB C 41.28 0.1 1 97 . 11 ASP N N 123.30 0.1 1 98 . 12 PRO HA H 4.12 0.02 1 99 . 12 PRO HB2 H 1.39 0.02 2 100 . 12 PRO HB3 H 1.50 0.02 2 101 . 12 PRO HG2 H 1.76 0.02 2 102 . 12 PRO HG3 H 2.02 0.02 2 103 . 12 PRO HD2 H 3.40 0.02 2 104 . 12 PRO HD3 H 3.61 0.02 2 105 . 12 PRO C C 176.40 0.1 1 106 . 12 PRO CA C 63.23 0.1 1 107 . 12 PRO CB C 31.26 0.1 1 108 . 12 PRO CG C 26.32 0.1 1 109 . 12 PRO CD C 50.06 0.1 1 110 . 13 TYR H H 8.04 0.02 1 111 . 13 TYR HA H 4.51 0.02 1 112 . 13 TYR HB2 H 2.83 0.02 2 113 . 13 TYR HB3 H 3.15 0.02 2 114 . 13 TYR C C 176.27 0.1 1 115 . 13 TYR CA C 57.21 0.1 1 116 . 13 TYR CB C 37.46 0.1 1 117 . 13 TYR N N 116.90 0.1 1 118 . 14 GLY H H 7.80 0.02 1 119 . 14 GLY HA2 H 3.83 0.02 2 120 . 14 GLY HA3 H 3.89 0.02 2 121 . 14 GLY C C 175.16 0.1 1 122 . 14 GLY CA C 45.33 0.1 1 123 . 14 GLY N N 108.07 0.1 1 124 . 15 GLN H H 8.25 0.02 1 125 . 15 GLN HA H 4.64 0.02 1 126 . 15 GLN HB2 H 1.94 0.02 2 127 . 15 GLN HB3 H 2.16 0.02 2 128 . 15 GLN C C 176.29 0.1 1 129 . 15 GLN CA C 55.89 0.1 1 130 . 15 GLN CB C 28.73 0.1 1 131 . 15 GLN CG C 33.49 0.1 1 132 . 15 GLN N N 118.72 0.1 1 133 . 16 THR H H 8.16 0.02 1 134 . 16 THR HA H 4.17 0.02 1 135 . 16 THR HB H 4.17 0.02 1 136 . 16 THR HG2 H 1.15 0.02 1 137 . 16 THR C C 175.36 0.1 1 138 . 16 THR CA C 62.31 0.1 1 139 . 16 THR CB C 68.99 0.1 1 140 . 16 THR CG2 C 21.19 0.1 1 141 . 16 THR N N 113.90 0.1 1 142 . 17 ALA H H 8.18 0.02 1 143 . 17 ALA HA H 4.18 0.02 1 144 . 17 ALA HB H 1.32 0.02 1 145 . 17 ALA C C 177.07 0.1 1 146 . 17 ALA CA C 52.88 0.1 1 147 . 17 ALA CB C 18.30 0.1 1 148 . 17 ALA N N 124.71 0.1 1 149 . 18 GLN H H 8.13 0.02 1 150 . 18 GLN HA H 4.16 0.02 1 151 . 18 GLN HB2 H 2.31 0.02 2 152 . 18 GLN C C 176.26 0.1 1 153 . 18 GLN CA C 56.26 0.1 1 154 . 18 GLN CB C 28.34 0.1 1 155 . 18 GLN CG C 33.28 0.1 1 156 . 18 GLN N N 117.61 0.1 1 157 . 19 LEU H H 8.12 0.02 1 158 . 19 LEU HA H 4.18 0.02 1 159 . 19 LEU HB2 H 1.58 0.02 2 160 . 19 LEU HD1 H 0.82 0.02 2 161 . 19 LEU C C 176.87 0.1 1 162 . 19 LEU CA C 55.59 0.1 1 163 . 19 LEU CB C 41.54 0.1 1 164 . 19 LEU CG C 26.45 0.1 1 165 . 19 LEU CD1 C 23.11 0.1 2 166 . 19 LEU CD2 C 24.14 0.1 2 167 . 19 LEU N N 119.40 0.1 1 168 . 20 GLN H H 8.18 0.02 1 169 . 20 GLN HA H 4.21 0.02 1 170 . 20 GLN HB2 H 2.31 0.02 2 171 . 20 GLN C C 175.97 0.1 1 172 . 20 GLN CA C 55.66 0.1 1 173 . 20 GLN CB C 28.66 0.1 1 174 . 20 GLN CG C 33.28 0.1 1 175 . 20 GLN N N 118.90 0.1 1 176 . 21 GLN H H 8.18 0.02 1 177 . 21 GLN HA H 4.18 0.02 1 178 . 21 GLN HB2 H 2.30 0.02 2 179 . 21 GLN C C 176.25 0.1 1 180 . 21 GLN CA C 56.18 0.1 1 181 . 21 GLN CB C 28.48 0.1 1 182 . 21 GLN CG C 33.32 0.1 1 183 . 21 GLN N N 118.90 0.1 1 184 . 22 LEU H H 8.01 0.02 1 185 . 22 LEU HA H 4.18 0.02 1 186 . 22 LEU HB2 H 1.58 0.02 2 187 . 22 LEU HD1 H 0.82 0.02 2 188 . 22 LEU C C 176.20 0.1 1 189 . 22 LEU CA C 55.59 0.1 1 190 . 22 LEU CB C 41.54 0.1 1 191 . 22 LEU CG C 26.45 0.1 1 192 . 22 LEU CD1 C 23.11 0.1 2 193 . 22 LEU CD2 C 24.14 0.1 2 194 . 22 LEU N N 121.10 0.1 1 195 . 23 GLN H H 8.18 0.02 1 196 . 23 GLN HA H 4.17 0.02 1 197 . 23 GLN HB2 H 1.92 0.02 2 198 . 23 GLN HB3 H 2.07 0.02 2 199 . 23 GLN HG2 H 2.27 0.02 2 200 . 23 GLN C C 176.90 0.1 1 201 . 23 GLN CA C 56.33 0.1 1 202 . 23 GLN CB C 28.57 0.1 1 203 . 23 GLN CG C 33.31 0.1 1 204 . 23 GLN N N 118.90 0.1 1 205 . 24 GLN H H 8.15 0.02 1 206 . 24 GLN HA H 4.17 0.02 1 207 . 24 GLN HB2 H 1.92 0.02 2 208 . 24 GLN HB3 H 2.07 0.02 2 209 . 24 GLN HG2 H 2.27 0.02 2 210 . 24 GLN C C 176.90 0.1 1 211 . 24 GLN CA C 56.33 0.1 1 212 . 24 GLN CB C 28.57 0.1 1 213 . 24 GLN CG C 33.31 0.1 1 214 . 24 GLN N N 118.94 0.1 1 215 . 25 GLN H H 8.15 0.02 1 216 . 25 GLN HA H 4.17 0.02 1 217 . 25 GLN HB2 H 1.92 0.02 2 218 . 25 GLN HB3 H 2.07 0.02 2 219 . 25 GLN HG2 H 2.27 0.02 2 220 . 25 GLN C C 176.90 0.1 1 221 . 25 GLN CA C 56.33 0.1 1 222 . 25 GLN CB C 28.57 0.1 1 223 . 25 GLN CG C 33.31 0.1 1 224 . 25 GLN N N 118.94 0.1 1 225 . 26 GLN H H 8.15 0.02 1 226 . 26 GLN HA H 4.17 0.02 1 227 . 26 GLN HB2 H 1.92 0.02 2 228 . 26 GLN HB3 H 2.07 0.02 2 229 . 26 GLN HG2 H 2.27 0.02 2 230 . 26 GLN C C 176.90 0.1 1 231 . 26 GLN CA C 56.33 0.1 1 232 . 26 GLN CB C 28.57 0.1 1 233 . 26 GLN CG C 33.31 0.1 1 234 . 26 GLN N N 118.94 0.1 1 235 . 27 GLN H H 8.15 0.02 1 236 . 27 GLN HA H 4.17 0.02 1 237 . 27 GLN HB2 H 1.92 0.02 2 238 . 27 GLN HB3 H 2.07 0.02 2 239 . 27 GLN HG2 H 2.27 0.02 2 240 . 27 GLN C C 176.90 0.1 1 241 . 27 GLN CA C 56.33 0.1 1 242 . 27 GLN CB C 28.57 0.1 1 243 . 27 GLN CG C 33.31 0.1 1 244 . 27 GLN N N 118.94 0.1 1 245 . 28 GLN H H 8.24 0.02 1 246 . 28 GLN HA H 4.21 0.02 1 247 . 28 GLN HB2 H 2.31 0.02 2 248 . 28 GLN C C 175.97 0.1 1 249 . 28 GLN CA C 56.20 0.1 1 250 . 28 GLN CB C 28.43 0.1 1 251 . 28 GLN N N 119.65 0.1 1 252 . 29 HIS H H 8.24 0.02 1 253 . 29 HIS HA H 4.28 0.02 1 254 . 29 HIS HB2 H 2.27 0.02 2 255 . 29 HIS C C 174.97 0.1 1 256 . 29 HIS CA C 55.18 0.1 1 257 . 29 HIS CB C 29.10 0.1 1 258 . 29 HIS N N 119.65 0.1 1 259 . 30 ILE H H 7.74 0.02 1 260 . 30 ILE HA H 4.09 0.02 1 261 . 30 ILE HB H 1.07 0.02 1 262 . 30 ILE CA C 57.61 0.1 1 263 . 30 ILE CB C 39.88 0.1 1 264 . 30 ILE N N 119.81 0.1 1 265 . 32 PRO HA H 4.43 0.02 1 266 . 32 PRO HB2 H 1.92 0.02 2 267 . 32 PRO HB3 H 1.96 0.02 2 268 . 32 PRO HG2 H 2.25 0.02 2 269 . 32 PRO HD2 H 3.65 0.02 2 270 . 32 PRO HD3 H 3.77 0.02 2 271 . 32 PRO C C 176.48 0.1 1 272 . 32 PRO CA C 62.61 0.1 1 273 . 32 PRO CB C 31.53 0.1 1 274 . 32 PRO CG C 26.91 0.1 1 275 . 32 PRO CD C 50.34 0.1 1 276 . 33 THR H H 7.95 0.02 1 277 . 33 THR HA H 4.19 0.02 1 278 . 33 THR HB H 4.14 0.02 1 279 . 33 THR HG2 H 1.15 0.02 1 280 . 33 THR C C 175.15 0.1 1 281 . 33 THR CA C 61.35 0.1 1 282 . 33 THR CB C 69.11 0.1 1 283 . 33 THR CG2 C 21.33 0.1 1 284 . 33 THR N N 112.38 0.1 1 285 . 34 GLN H H 8.23 0.02 1 286 . 34 GLN HA H 4.30 0.02 1 287 . 34 GLN HB2 H 1.88 0.02 2 288 . 34 GLN HB3 H 2.02 0.02 2 289 . 34 GLN HG2 H 2.26 0.02 2 290 . 34 GLN C C 175.63 0.1 1 291 . 34 GLN CA C 55.23 0.1 1 292 . 34 GLN CB C 29.02 0.1 1 293 . 34 GLN CG C 33.26 0.1 1 294 . 34 GLN N N 121.46 0.1 1 295 . 35 MET H H 8.23 0.02 1 296 . 35 MET HA H 4.34 0.02 1 297 . 35 MET HB2 H 1.90 0.02 2 298 . 35 MET HG2 H 2.45 0.02 2 299 . 35 MET C C 175.62 0.1 1 300 . 35 MET CA C 54.98 0.1 1 301 . 35 MET CB C 32.39 0.1 1 302 . 35 MET CG C 31.35 0.1 1 303 . 35 MET N N 120.99 0.1 1 304 . 36 ASN H H 8.39 0.02 1 305 . 36 ASN HA H 4.87 0.02 1 306 . 36 ASN HB2 H 2.60 0.02 2 307 . 36 ASN HB3 H 2.79 0.02 2 308 . 36 ASN CA C 50.61 0.1 1 309 . 36 ASN CB C 38.78 0.1 1 310 . 36 ASN N N 120.86 0.1 1 311 . 37 PRO HA H 4.38 0.02 1 312 . 37 PRO HB2 H 1.90 0.02 2 313 . 37 PRO HB3 H 1.93 0.02 2 314 . 37 PRO HG2 H 2.20 0.02 2 315 . 37 PRO HD2 H 3.78 0.02 2 316 . 37 PRO HD3 H 3.82 0.02 2 317 . 37 PRO C C 176.37 0.1 1 318 . 37 PRO CA C 62.74 0.1 1 319 . 37 PRO CB C 31.68 0.1 1 320 . 37 PRO CG C 26.76 0.1 1 321 . 37 PRO CD C 50.53 0.1 1 322 . 38 GLU H H 8.47 0.02 1 323 . 38 GLU HA H 4.54 0.02 1 324 . 38 GLU HB2 H 1.83 0.02 2 325 . 38 GLU HB3 H 1.94 0.02 2 326 . 38 GLU HG2 H 2.20 0.02 2 327 . 38 GLU HG3 H 2.37 0.02 2 328 . 38 GLU CA C 53.84 0.1 1 329 . 38 GLU CB C 30.10 0.1 1 330 . 38 GLU N N 121.24 0.1 1 331 . 39 PRO HA H 4.36 0.02 1 332 . 39 PRO HD2 H 3.51 0.02 2 333 . 39 PRO HD3 H 3.60 0.02 2 334 . 39 PRO C C 176.73 0.1 1 335 . 39 PRO CA C 62.97 0.1 1 336 . 39 PRO CB C 32.21 0.1 1 337 . 39 PRO CD C 49.98 0.1 1 338 . 40 ASP H H 8.65 0.02 1 339 . 40 ASP HA H 3.70 0.02 1 340 . 40 ASP C C 177.06 0.1 1 341 . 40 ASP CA C 56.83 0.1 1 342 . 40 ASP CB C 40.11 0.1 1 343 . 40 ASP N N 122.49 0.1 1 344 . 41 VAL H H 7.75 0.02 1 345 . 41 VAL HA H 4.03 0.02 1 346 . 41 VAL HB H 2.13 0.02 1 347 . 41 VAL HG1 H 0.93 0.02 1 348 . 41 VAL HG2 H 0.93 0.02 1 349 . 41 VAL C C 176.56 0.1 1 350 . 41 VAL CA C 63.37 0.1 1 351 . 41 VAL CB C 31.21 0.1 1 352 . 41 VAL CG1 C 20.40 0.1 2 353 . 41 VAL N N 111.81 0.1 1 354 . 42 LEU H H 7.45 0.02 1 355 . 42 LEU HA H 4.41 0.02 1 356 . 42 LEU HB2 H 1.68 0.02 2 357 . 42 LEU HG H 1.55 0.02 1 358 . 42 LEU HD1 H 0.81 0.02 2 359 . 42 LEU HD2 H 0.91 0.02 2 360 . 42 LEU C C 176.11 0.1 1 361 . 42 LEU CA C 54.59 0.1 1 362 . 42 LEU CB C 41.43 0.1 1 363 . 42 LEU CG C 25.34 0.1 1 364 . 42 LEU CD1 C 21.87 0.1 2 365 . 42 LEU N N 116.92 0.1 1 366 . 43 ARG H H 7.54 0.02 1 367 . 43 ARG HA H 4.53 0.02 1 368 . 43 ARG HB2 H 1.79 0.02 2 369 . 43 ARG HG2 H 1.40 0.02 2 370 . 43 ARG C C 174.37 0.1 1 371 . 43 ARG CA C 54.59 0.1 1 372 . 43 ARG CB C 30.65 0.1 1 373 . 43 ARG CG C 26.10 0.1 1 374 . 43 ARG CD C 43.14 0.1 1 375 . 43 ARG N N 111.40 0.1 1 376 . 44 ASN H H 7.09 0.02 1 377 . 44 ASN HA H 5.24 0.02 1 378 . 44 ASN HB2 H 2.33 0.02 2 379 . 44 ASN HB3 H 2.94 0.02 2 380 . 44 ASN HD21 H 5.91 0.02 2 381 . 44 ASN HD22 H 7.31 0.02 2 382 . 44 ASN C C 174.93 0.1 1 383 . 44 ASN CA C 51.98 0.1 1 384 . 44 ASN CB C 39.83 0.1 1 385 . 44 ASN N N 117.66 0.1 1 386 . 45 LEU H H 9.53 0.02 1 387 . 45 LEU HA H 4.87 0.02 1 388 . 45 LEU HB2 H 1.96 0.02 1 389 . 45 LEU HB3 H 1.96 0.02 1 390 . 45 LEU HG H 1.93 0.02 1 391 . 45 LEU HD1 H 0.71 0.02 2 392 . 45 LEU HD2 H 1.09 0.02 2 393 . 45 LEU C C 175.92 0.1 1 394 . 45 LEU CA C 53.30 0.1 1 395 . 45 LEU CB C 42.80 0.1 1 396 . 45 LEU CG C 29.36 0.1 1 397 . 45 LEU CD1 C 26.75 0.1 2 398 . 45 LEU CD2 C 23.60 0.1 2 399 . 45 LEU N N 127.08 0.1 1 400 . 46 MET H H 9.09 0.02 1 401 . 46 MET HA H 4.68 0.02 1 402 . 46 MET HB2 H 1.68 0.02 2 403 . 46 MET HB3 H 1.93 0.02 2 404 . 46 MET HG2 H 2.18 0.02 2 405 . 46 MET HE H 1.88 0.02 1 406 . 46 MET C C 174.95 0.1 1 407 . 46 MET CA C 54.17 0.1 1 408 . 46 MET CB C 34.35 0.1 1 409 . 46 MET CG C 31.59 0.1 1 410 . 46 MET N N 120.58 0.1 1 411 . 47 VAL H H 8.63 0.02 1 412 . 47 VAL HA H 4.94 0.02 1 413 . 47 VAL HB H 1.54 0.02 1 414 . 47 VAL HG1 H 0.59 0.02 2 415 . 47 VAL HG2 H 0.85 0.02 2 416 . 47 VAL C C 176.21 0.1 1 417 . 47 VAL CA C 59.77 0.1 1 418 . 47 VAL CB C 32.99 0.1 1 419 . 47 VAL CG1 C 21.52 0.1 2 420 . 47 VAL N N 127.62 0.1 1 421 . 48 ASN H H 9.27 0.02 1 422 . 48 ASN HA H 5.14 0.02 1 423 . 48 ASN HB2 H 1.95 0.02 2 424 . 48 ASN HB3 H 2.05 0.02 2 425 . 48 ASN HD21 H 6.22 0.02 2 426 . 48 ASN HD22 H 7.06 0.02 2 427 . 48 ASN C C 174.46 0.1 1 428 . 48 ASN CA C 50.29 0.1 1 429 . 48 ASN CB C 41.77 0.1 1 430 . 48 ASN N N 123.67 0.1 1 431 . 49 TYR H H 8.26 0.02 1 432 . 49 TYR HA H 4.22 0.02 1 433 . 49 TYR HB2 H 2.94 0.02 2 434 . 49 TYR HB3 H 3.71 0.02 2 435 . 49 TYR HD1 H 7.15 0.02 3 436 . 49 TYR HE1 H 6.72 0.02 3 437 . 49 TYR C C 174.64 0.1 1 438 . 49 TYR CA C 57.33 0.1 1 439 . 49 TYR CB C 33.59 0.1 1 440 . 49 TYR N N 114.69 0.1 1 441 . 50 ILE H H 7.84 0.02 1 442 . 50 ILE HA H 3.78 0.02 1 443 . 50 ILE HB H 1.16 0.02 1 444 . 50 ILE HG12 H 0.85 0.02 2 445 . 50 ILE HG13 H 1.10 0.02 2 446 . 50 ILE HG2 H 0.42 0.02 1 447 . 50 ILE HD1 H 0.41 0.02 1 448 . 50 ILE CA C 58.69 0.1 1 449 . 50 ILE CB C 39.63 0.1 1 450 . 50 ILE CG1 C 27.70 0.1 1 451 . 50 ILE CD1 C 14.00 0.1 1 452 . 50 ILE N N 114.46 0.1 1 453 . 52 THR HA H 4.37 0.02 1 454 . 52 THR HB H 3.90 0.02 1 455 . 52 THR HG2 H 1.26 0.02 1 456 . 52 THR C C 175.12 0.1 1 457 . 52 THR CA C 64.53 0.1 1 458 . 52 THR CB C 68.18 0.1 1 459 . 52 THR CG2 C 21.65 0.1 1 460 . 53 THR H H 7.02 0.02 1 461 . 53 THR HA H 4.20 0.02 1 462 . 53 THR HB H 4.00 0.02 1 463 . 53 THR HG2 H 1.16 0.02 1 464 . 53 THR C C 175.29 0.1 1 465 . 53 THR CA C 61.18 0.1 1 466 . 53 THR CB C 68.06 0.1 1 467 . 53 THR CG2 C 21.51 0.1 1 468 . 53 THR N N 105.88 0.1 1 469 . 54 VAL H H 7.22 0.02 1 470 . 54 VAL HA H 3.93 0.02 1 471 . 54 VAL HB H 2.00 0.02 1 472 . 54 VAL HG1 H 0.76 0.02 2 473 . 54 VAL HG2 H 0.79 0.02 2 474 . 54 VAL C C 175.02 0.1 1 475 . 54 VAL CA C 62.36 0.1 1 476 . 54 VAL CB C 30.67 0.1 1 477 . 54 VAL CG1 C 21.15 0.1 2 478 . 54 VAL CG2 C 25.25 0.1 2 479 . 54 VAL N N 122.70 0.1 1 480 . 55 ASP H H 7.61 0.02 1 481 . 55 ASP HA H 4.73 0.02 1 482 . 55 ASP HB2 H 2.62 0.02 2 483 . 55 ASP HB3 H 3.18 0.02 2 484 . 55 ASP C C 175.96 0.1 1 485 . 55 ASP CA C 51.17 0.1 1 486 . 55 ASP CB C 41.96 0.1 1 487 . 55 ASP N N 126.42 0.1 1 488 . 56 GLU H H 8.61 0.02 1 489 . 56 GLU HA H 3.53 0.02 1 490 . 56 GLU HB2 H 2.08 0.02 2 491 . 56 GLU HG2 H 2.30 0.02 2 492 . 56 GLU HG3 H 2.42 0.02 2 493 . 56 GLU C C 177.22 0.1 1 494 . 56 GLU CA C 59.83 0.1 1 495 . 56 GLU CB C 28.74 0.1 1 496 . 56 GLU CG C 37.35 0.1 1 497 . 56 GLU N N 115.76 0.1 1 498 . 57 VAL H H 7.53 0.02 1 499 . 57 VAL HA H 3.54 0.02 1 500 . 57 VAL HB H 2.21 0.02 1 501 . 57 VAL HG1 H 0.86 0.02 2 502 . 57 VAL HG2 H 0.90 0.02 2 503 . 57 VAL CA C 66.06 0.1 1 504 . 57 VAL CB C 31.01 0.1 1 505 . 57 VAL N N 120.09 0.1 1 506 . 58 GLN CA C 58.23 0.1 1 507 . 58 GLN CB C 29.03 0.1 1 508 . 59 LEU H H 8.48 0.02 1 509 . 59 LEU HA H 3.96 0.02 1 510 . 59 LEU HB2 H 2.55 0.02 2 511 . 59 LEU HG H 2.30 0.02 1 512 . 59 LEU HD1 H 0.86 0.02 1 513 . 59 LEU HD2 H 0.86 0.02 1 514 . 59 LEU C C 177.12 0.1 1 515 . 59 LEU CA C 57.78 0.1 1 516 . 59 LEU CB C 42.00 0.1 1 517 . 59 LEU CD1 C 23.77 0.1 2 518 . 59 LEU N N 119.13 0.1 1 519 . 60 ARG H H 8.16 0.02 1 520 . 60 ARG HA H 3.57 0.02 1 521 . 60 ARG HB2 H 1.82 0.02 2 522 . 60 ARG HB3 H 2.00 0.02 2 523 . 60 ARG HG2 H 1.28 0.02 2 524 . 60 ARG HG3 H 1.48 0.02 2 525 . 60 ARG HD2 H 2.89 0.02 2 526 . 60 ARG C C 176.53 0.1 1 527 . 60 ARG CA C 59.91 0.1 1 528 . 60 ARG CB C 29.69 0.1 1 529 . 60 ARG CG C 28.42 0.1 1 530 . 60 ARG N N 117.35 0.1 1 531 . 61 GLN H H 7.94 0.02 1 532 . 61 GLN HA H 3.97 0.02 1 533 . 61 GLN HB2 H 2.04 0.02 2 534 . 61 GLN HB3 H 2.11 0.02 2 535 . 61 GLN HG2 H 2.35 0.02 2 536 . 61 GLN HG3 H 2.55 0.02 2 537 . 61 GLN HE21 H 6.22 0.02 2 538 . 61 GLN HE22 H 7.10 0.02 2 539 . 61 GLN C C 177.12 0.1 1 540 . 61 GLN CA C 58.35 0.1 1 541 . 61 GLN CB C 27.70 0.1 1 542 . 61 GLN CG C 33.86 0.1 1 543 . 61 GLN N N 115.29 0.1 1 544 . 62 LEU H H 7.56 0.02 1 545 . 62 LEU HA H 4.01 0.02 1 546 . 62 LEU HB2 H 1.65 0.02 2 547 . 62 LEU HB3 H 1.71 0.02 2 548 . 62 LEU HG H 1.43 0.02 1 549 . 62 LEU HD1 H 0.60 0.02 2 550 . 62 LEU HD2 H 0.63 0.02 2 551 . 62 LEU C C 176.73 0.1 1 552 . 62 LEU CA C 57.04 0.1 1 553 . 62 LEU CB C 42.14 0.1 1 554 . 62 LEU CG C 25.66 0.1 1 555 . 62 LEU CD1 C 23.00 0.1 2 556 . 62 LEU CD2 C 24.54 0.1 2 557 . 62 LEU N N 117.57 0.1 1 558 . 63 PHE H H 7.67 0.02 1 559 . 63 PHE HA H 4.24 0.02 1 560 . 63 PHE HB2 H 2.74 0.02 2 561 . 63 PHE HB3 H 3.07 0.02 2 562 . 63 PHE HD1 H 7.50 0.02 3 563 . 63 PHE HE1 H 7.50 0.02 3 564 . 63 PHE HZ H 7.33 0.02 1 565 . 63 PHE C C 176.85 0.1 1 566 . 63 PHE CA C 60.76 0.1 1 567 . 63 PHE CB C 39.66 0.1 1 568 . 63 PHE N N 113.60 0.1 1 569 . 64 GLU H H 8.80 0.02 1 570 . 64 GLU HA H 4.49 0.02 1 571 . 64 GLU HB2 H 2.04 0.02 2 572 . 64 GLU HB3 H 2.09 0.02 2 573 . 64 GLU HG2 H 2.36 0.02 2 574 . 64 GLU HG3 H 2.42 0.02 2 575 . 64 GLU C C 176.64 0.1 1 576 . 64 GLU CA C 57.93 0.1 1 577 . 64 GLU CB C 28.26 0.1 1 578 . 64 GLU CG C 36.26 0.1 1 579 . 64 GLU N N 119.14 0.1 1 580 . 65 ARG H H 7.04 0.02 1 581 . 65 ARG HA H 3.95 0.02 1 582 . 65 ARG HB2 H 1.29 0.02 2 583 . 65 ARG HB3 H 1.48 0.02 2 584 . 65 ARG HG2 H 0.85 0.02 2 585 . 65 ARG HG3 H 1.09 0.02 2 586 . 65 ARG HD2 H 2.80 0.02 2 587 . 65 ARG C C 176.41 0.1 1 588 . 65 ARG CA C 57.28 0.1 1 589 . 65 ARG CB C 28.83 0.1 1 590 . 65 ARG CG C 25.60 0.1 1 591 . 65 ARG CD C 43.18 0.1 1 592 . 65 ARG N N 117.22 0.1 1 593 . 66 TYR H H 7.75 0.02 1 594 . 66 TYR HA H 4.23 0.02 1 595 . 66 TYR HB2 H 2.71 0.02 2 596 . 66 TYR HB3 H 3.13 0.02 2 597 . 66 TYR HD1 H 7.08 0.02 3 598 . 66 TYR HE1 H 6.49 0.02 3 599 . 66 TYR C C 175.30 0.1 1 600 . 66 TYR CA C 59.13 0.1 1 601 . 66 TYR CB C 37.66 0.1 1 602 . 66 TYR N N 114.60 0.1 1 603 . 67 GLY H H 7.51 0.02 1 604 . 67 GLY HA2 H 3.91 0.02 2 605 . 67 GLY HA3 H 4.62 0.02 2 606 . 67 GLY CA C 44.12 0.1 1 607 . 67 GLY N N 108.13 0.1 1 608 . 68 PRO HA H 4.50 0.02 1 609 . 68 PRO HB2 H 2.02 0.02 2 610 . 68 PRO HB3 H 2.23 0.02 2 611 . 68 PRO HG2 H 1.74 0.02 2 612 . 68 PRO HG3 H 1.94 0.02 2 613 . 68 PRO HD2 H 3.58 0.02 2 614 . 68 PRO C C 176.87 0.1 1 615 . 68 PRO CA C 62.97 0.1 1 616 . 68 PRO CB C 31.70 0.1 1 617 . 68 PRO CG C 26.88 0.1 1 618 . 69 ILE H H 8.91 0.02 1 619 . 69 ILE HA H 3.88 0.02 1 620 . 69 ILE HB H 1.47 0.02 1 621 . 69 ILE HG12 H 0.76 0.02 2 622 . 69 ILE HG2 H 0.38 0.02 1 623 . 69 ILE HD1 H 0.36 0.02 1 624 . 69 ILE C C 175.75 0.1 1 625 . 69 ILE CA C 60.40 0.1 1 626 . 69 ILE CB C 40.51 0.1 1 627 . 69 ILE CG2 C 18.07 0.1 1 628 . 69 ILE CD1 C 13.95 0.1 1 629 . 69 ILE N N 125.29 0.1 1 630 . 70 GLU H H 9.04 0.02 1 631 . 70 GLU HA H 4.25 0.02 1 632 . 70 GLU HB2 H 1.59 0.02 2 633 . 70 GLU HG2 H 1.95 0.02 2 634 . 70 GLU HG3 H 2.11 0.02 2 635 . 70 GLU C C 175.93 0.1 1 636 . 70 GLU CA C 57.51 0.1 1 637 . 70 GLU CB C 30.67 0.1 1 638 . 70 GLU CG C 35.52 0.1 1 639 . 70 GLU N N 126.48 0.1 1 640 . 71 SER H H 7.55 0.02 1 641 . 71 SER HA H 4.49 0.02 1 642 . 71 SER HB2 H 3.63 0.02 2 643 . 71 SER HB3 H 3.66 0.02 2 644 . 71 SER C C 173.76 0.1 1 645 . 71 SER CA C 57.03 0.1 1 646 . 71 SER CB C 64.81 0.1 1 647 . 71 SER N N 109.93 0.1 1 648 . 72 VAL H H 8.21 0.02 1 649 . 72 VAL HA H 4.63 0.02 1 650 . 72 VAL HB H 1.80 0.02 1 651 . 72 VAL HG1 H 0.71 0.02 1 652 . 72 VAL HG2 H 0.71 0.02 1 653 . 72 VAL C C 174.66 0.1 1 654 . 72 VAL CA C 60.23 0.1 1 655 . 72 VAL CB C 34.42 0.1 1 656 . 72 VAL CG1 C 21.18 0.1 2 657 . 72 VAL CG2 C 19.26 0.1 2 658 . 72 VAL N N 118.80 0.1 1 659 . 73 LYS H H 8.51 0.02 1 660 . 73 LYS HA H 4.65 0.02 1 661 . 73 LYS HB2 H 1.68 0.02 2 662 . 73 LYS HG2 H 1.22 0.02 2 663 . 73 LYS HE2 H 2.85 0.02 2 664 . 73 LYS C C 175.33 0.1 1 665 . 73 LYS CA C 54.19 0.1 1 666 . 73 LYS CB C 36.09 0.1 1 667 . 73 LYS CG C 23.92 0.1 1 668 . 73 LYS CD C 28.34 0.1 1 669 . 73 LYS N N 123.42 0.1 1 670 . 74 ILE H H 9.06 0.02 1 671 . 74 ILE HA H 4.06 0.02 1 672 . 74 ILE HB H 1.58 0.02 1 673 . 74 ILE HG12 H 1.25 0.02 2 674 . 74 ILE HG2 H 0.68 0.02 1 675 . 74 ILE HD1 H 0.59 0.02 1 676 . 74 ILE C C 175.87 0.1 1 677 . 74 ILE CA C 60.08 0.1 1 678 . 74 ILE CB C 38.47 0.1 1 679 . 74 ILE CG1 C 25.26 0.1 1 680 . 74 ILE CG2 C 16.28 0.1 1 681 . 74 ILE CD1 C 12.28 0.1 1 682 . 74 ILE N N 125.35 0.1 1 683 . 75 VAL H H 8.27 0.02 1 684 . 75 VAL HA H 3.60 0.02 1 685 . 75 VAL HG1 H 0.72 0.02 2 686 . 75 VAL HG2 H 0.90 0.02 2 687 . 75 VAL C C 175.14 0.1 1 688 . 75 VAL CA C 63.46 0.1 1 689 . 75 VAL CB C 28.85 0.1 1 690 . 75 VAL CG1 C 21.38 0.1 2 691 . 75 VAL N N 128.95 0.1 1 692 . 76 CYS H H 8.22 0.02 1 693 . 76 CYS HA H 5.00 0.02 1 694 . 76 CYS HB2 H 2.21 0.02 2 695 . 76 CYS HB3 H 2.51 0.02 2 696 . 76 CYS C C 175.01 0.1 1 697 . 76 CYS CA C 55.64 0.1 1 698 . 76 CYS CB C 30.76 0.1 1 699 . 76 CYS N N 121.87 0.1 1 700 . 77 ASP H H 8.50 0.02 1 701 . 77 ASP HA H 4.44 0.02 1 702 . 77 ASP HB2 H 2.50 0.02 2 703 . 77 ASP HB3 H 2.89 0.02 2 704 . 77 ASP C C 176.73 0.1 1 705 . 77 ASP CA C 54.00 0.1 1 706 . 77 ASP CB C 42.71 0.1 1 707 . 77 ASP N N 122.34 0.1 1 708 . 78 ARG H H 8.83 0.02 1 709 . 78 ARG HA H 3.91 0.02 1 710 . 78 ARG HB2 H 1.80 0.02 2 711 . 78 ARG HG2 H 1.62 0.02 2 712 . 78 ARG HD2 H 3.15 0.02 2 713 . 78 ARG C C 176.43 0.1 1 714 . 78 ARG CA C 58.39 0.1 1 715 . 78 ARG CB C 29.74 0.1 1 716 . 78 ARG CG C 26.72 0.1 1 717 . 78 ARG CD C 42.69 0.1 1 718 . 78 ARG N N 125.95 0.1 1 719 . 79 GLU H H 8.48 0.02 1 720 . 79 GLU HA H 4.21 0.02 1 721 . 79 GLU HB2 H 2.07 0.02 2 722 . 79 GLU HG2 H 2.13 0.02 2 723 . 79 GLU C C 177.07 0.1 1 724 . 79 GLU CA C 58.02 0.1 1 725 . 79 GLU CB C 29.87 0.1 1 726 . 79 GLU CG C 36.09 0.1 1 727 . 79 GLU N N 116.16 0.1 1 728 . 80 THR H H 8.31 0.02 1 729 . 80 THR HA H 4.25 0.02 1 730 . 80 THR HB H 3.88 0.02 1 731 . 80 THR HG2 H 1.18 0.02 1 732 . 80 THR C C 175.91 0.1 1 733 . 80 THR CA C 61.49 0.1 1 734 . 80 THR CB C 70.24 0.1 1 735 . 80 THR CG2 C 20.25 0.1 1 736 . 80 THR N N 106.93 0.1 1 737 . 81 ARG H H 7.85 0.02 1 738 . 81 ARG HA H 3.90 0.02 1 739 . 81 ARG HB2 H 2.48 0.02 2 740 . 81 ARG HB3 H 2.90 0.02 2 741 . 81 ARG HG2 H 1.42 0.02 2 742 . 81 ARG HG3 H 1.51 0.02 2 743 . 81 ARG HD2 H 3.10 0.02 2 744 . 81 ARG C C 175.43 0.1 1 745 . 81 ARG CA C 57.02 0.1 1 746 . 81 ARG CB C 26.49 0.1 1 747 . 81 ARG CG C 26.77 0.1 1 748 . 81 ARG CD C 42.05 0.1 1 749 . 81 ARG N N 113.91 0.1 1 750 . 82 GLN H H 7.63 0.02 1 751 . 82 GLN HA H 4.27 0.02 1 752 . 82 GLN HB2 H 1.81 0.02 2 753 . 82 GLN HB3 H 2.04 0.02 2 754 . 82 GLN HG2 H 2.30 0.02 2 755 . 82 GLN C C 176.03 0.1 1 756 . 82 GLN CA C 54.74 0.1 1 757 . 82 GLN CB C 29.61 0.1 1 758 . 82 GLN CG C 33.22 0.1 1 759 . 82 GLN N N 116.89 0.1 1 760 . 83 SER H H 8.76 0.02 1 761 . 83 SER HA H 4.44 0.02 1 762 . 83 SER HB2 H 3.69 0.02 2 763 . 83 SER HB3 H 3.99 0.02 2 764 . 83 SER C C 174.61 0.1 1 765 . 83 SER CA C 58.04 0.1 1 766 . 83 SER CB C 63.80 0.1 1 767 . 83 SER N N 117.22 0.1 1 768 . 84 ARG H H 9.29 0.02 1 769 . 84 ARG HA H 4.40 0.02 1 770 . 84 ARG HB2 H 1.55 0.02 2 771 . 84 ARG HG2 H 1.27 0.02 2 772 . 84 ARG HD2 H 3.13 0.02 2 773 . 84 ARG C C 176.69 0.1 1 774 . 84 ARG CA C 55.18 0.1 1 775 . 84 ARG CB C 29.86 0.1 1 776 . 84 ARG CD C 42.50 0.1 1 777 . 84 ARG N N 123.68 0.1 1 778 . 85 GLY H H 9.19 0.02 1 779 . 85 GLY HA2 H 3.67 0.02 2 780 . 85 GLY HA3 H 4.09 0.02 2 781 . 85 GLY C C 174.09 0.1 1 782 . 85 GLY CA C 45.53 0.1 1 783 . 85 GLY N N 106.66 0.1 1 784 . 86 TYR H H 7.07 0.02 1 785 . 86 TYR HA H 5.24 0.02 1 786 . 86 TYR HB2 H 2.89 0.02 2 787 . 86 TYR HB3 H 3.07 0.02 2 788 . 86 TYR HD1 H 7.51 0.02 3 789 . 86 TYR HE1 H 6.54 0.02 3 790 . 86 TYR C C 174.16 0.1 1 791 . 86 TYR CA C 54.34 0.1 1 792 . 86 TYR CB C 40.10 0.1 1 793 . 86 TYR N N 111.22 0.1 1 794 . 87 GLY H H 8.59 0.02 1 795 . 87 GLY HA2 H 3.80 0.02 2 796 . 87 GLY HA3 H 4.00 0.02 2 797 . 87 GLY C C 172.84 0.1 1 798 . 87 GLY CA C 45.04 0.1 1 799 . 87 GLY N N 104.81 0.1 1 800 . 88 PHE H H 8.99 0.02 1 801 . 88 PHE HA H 5.70 0.02 1 802 . 88 PHE HB2 H 2.40 0.02 2 803 . 88 PHE HB3 H 3.09 0.02 2 804 . 88 PHE HD1 H 7.16 0.02 3 805 . 88 PHE HE1 H 6.90 0.02 3 806 . 88 PHE HZ H 7.17 0.02 1 807 . 88 PHE C C 175.67 0.1 1 808 . 88 PHE CA C 55.61 0.1 1 809 . 88 PHE CB C 43.07 0.1 1 810 . 88 PHE N N 115.28 0.1 1 811 . 89 VAL H H 8.54 0.02 1 812 . 89 VAL HA H 4.09 0.02 1 813 . 89 VAL HB H 1.14 0.02 1 814 . 89 VAL HG1 H -0.21 0.02 2 815 . 89 VAL HG2 H -0.07 0.02 2 816 . 89 VAL C C 174.23 0.1 1 817 . 89 VAL CA C 60.91 0.1 1 818 . 89 VAL CB C 34.67 0.1 1 819 . 89 VAL CG1 C 19.39 0.1 2 820 . 89 VAL CG2 C 20.40 0.1 2 821 . 89 VAL N N 121.53 0.1 1 822 . 90 LYS H H 8.80 0.02 1 823 . 90 LYS HA H 5.37 0.02 1 824 . 90 LYS HB2 H 1.58 0.02 2 825 . 90 LYS HB3 H 1.75 0.02 2 826 . 90 LYS HG2 H 0.95 0.02 2 827 . 90 LYS HG3 H 1.16 0.02 2 828 . 90 LYS HD2 H 1.40 0.02 2 829 . 90 LYS HE2 H 2.58 0.02 2 830 . 90 LYS HE3 H 2.65 0.02 2 831 . 90 LYS C C 176.25 0.1 1 832 . 90 LYS CA C 53.92 0.1 1 833 . 90 LYS CB C 33.32 0.1 1 834 . 90 LYS CG C 24.75 0.1 1 835 . 90 LYS CD C 29.20 0.1 1 836 . 90 LYS CE C 40.85 0.1 1 837 . 90 LYS N N 127.77 0.1 1 838 . 91 PHE H H 8.50 0.02 1 839 . 91 PHE HA H 4.53 0.02 1 840 . 91 PHE HB2 H 2.74 0.02 2 841 . 91 PHE HB3 H 3.64 0.02 2 842 . 91 PHE HD1 H 7.66 0.02 3 843 . 91 PHE HE1 H 7.32 0.02 3 844 . 91 PHE C C 175.64 0.1 1 845 . 91 PHE CA C 59.23 0.1 1 846 . 91 PHE CB C 41.59 0.1 1 847 . 91 PHE N N 125.45 0.1 1 848 . 92 GLN H H 8.29 0.02 1 849 . 92 GLN HA H 4.10 0.02 1 850 . 92 GLN HB2 H 1.87 0.02 2 851 . 92 GLN HG2 H 2.22 0.02 2 852 . 92 GLN C C 175.70 0.1 1 853 . 92 GLN CA C 58.57 0.1 1 854 . 92 GLN CB C 28.33 0.1 1 855 . 92 GLN CG C 33.54 0.1 1 856 . 92 GLN N N 117.41 0.1 1 857 . 93 SER H H 8.35 0.02 1 858 . 93 SER HA H 4.92 0.02 1 859 . 93 SER HB2 H 3.85 0.02 2 860 . 93 SER HB3 H 3.96 0.02 2 861 . 93 SER CA C 55.42 0.1 1 862 . 93 SER CB C 65.63 0.1 1 863 . 93 SER N N 109.92 0.1 1 864 . 94 GLY H H 10.09 0.02 1 865 . 94 GLY HA2 H 3.73 0.02 2 866 . 94 GLY HA3 H 3.76 0.02 2 867 . 94 GLY CA C 43.10 0.1 1 868 . 94 GLY N N 114.44 0.1 1 869 . 95 SER C C 176.76 0.1 1 870 . 96 SER H H 7.25 0.02 1 871 . 96 SER HA H 3.95 0.02 1 872 . 96 SER HB2 H 3.51 0.02 2 873 . 96 SER HB3 H 3.53 0.02 2 874 . 96 SER C C 175.09 0.1 1 875 . 96 SER CA C 61.26 0.1 1 876 . 96 SER CB C 62.70 0.1 1 877 . 96 SER N N 117.62 0.1 1 878 . 97 ALA H H 6.89 0.02 1 879 . 97 ALA HA H 3.51 0.02 1 880 . 97 ALA HB H 1.51 0.02 1 881 . 97 ALA C C 177.18 0.1 1 882 . 97 ALA CA C 54.67 0.1 1 883 . 97 ALA CB C 17.26 0.1 1 884 . 97 ALA N N 120.67 0.1 1 885 . 98 GLN H H 7.93 0.02 1 886 . 98 GLN HA H 3.80 0.02 1 887 . 98 GLN HB2 H 2.06 0.02 2 888 . 98 GLN HG2 H 2.41 0.02 2 889 . 98 GLN HE21 H 6.67 0.02 2 890 . 98 GLN HE22 H 7.64 0.02 2 891 . 98 GLN C C 177.69 0.1 1 892 . 98 GLN CA C 58.19 0.1 1 893 . 98 GLN CB C 27.50 0.1 1 894 . 98 GLN N N 113.99 0.1 1 895 . 99 GLN H H 7.57 0.02 1 896 . 99 GLN HA H 3.89 0.02 1 897 . 99 GLN HB2 H 2.11 0.02 2 898 . 99 GLN HG2 H 2.36 0.02 2 899 . 99 GLN HG3 H 2.55 0.02 2 900 . 99 GLN C C 176.92 0.1 1 901 . 99 GLN CA C 57.96 0.1 1 902 . 99 GLN CB C 27.71 0.1 1 903 . 99 GLN CG C 33.48 0.1 1 904 . 99 GLN N N 118.21 0.1 1 905 . 100 ALA H H 7.90 0.02 1 906 . 100 ALA HA H 2.55 0.02 1 907 . 100 ALA HB H 1.23 0.02 1 908 . 100 ALA C C 177.50 0.1 1 909 . 100 ALA CA C 53.71 0.1 1 910 . 100 ALA CB C 18.74 0.1 1 911 . 100 ALA N N 122.40 0.1 1 912 . 101 ILE H H 7.73 0.02 1 913 . 101 ILE HA H 3.19 0.02 1 914 . 101 ILE HB H 1.67 0.02 1 915 . 101 ILE HG2 H 0.84 0.02 1 916 . 101 ILE HD1 H 0.48 0.02 1 917 . 101 ILE C C 176.74 0.1 1 918 . 101 ILE CA C 65.83 0.1 1 919 . 101 ILE CB C 38.08 0.1 1 920 . 101 ILE CG1 C 26.14 0.1 1 921 . 101 ILE CG2 C 16.53 0.1 2 922 . 101 ILE N N 117.73 0.1 1 923 . 102 ALA H H 7.08 0.02 1 924 . 102 ALA HA H 4.00 0.02 1 925 . 102 ALA HB H 1.34 0.02 1 926 . 102 ALA C C 178.09 0.1 1 927 . 102 ALA CA C 54.03 0.1 1 928 . 102 ALA CB C 17.39 0.1 1 929 . 102 ALA N N 117.66 0.1 1 930 . 103 GLY H H 7.96 0.02 1 931 . 103 GLY HA2 H 3.60 0.02 2 932 . 103 GLY HA3 H 3.98 0.02 2 933 . 103 GLY C C 175.73 0.1 1 934 . 103 GLY CA C 45.55 0.1 1 935 . 103 GLY N N 101.96 0.1 1 936 . 104 LEU H H 8.22 0.02 1 937 . 104 LEU HA H 4.57 0.02 1 938 . 104 LEU HB2 H 1.47 0.02 2 939 . 104 LEU HB3 H 1.01 0.02 2 940 . 104 LEU HG H 1.04 0.02 1 941 . 104 LEU HD1 H -0.34 0.02 2 942 . 104 LEU HD2 H 0.065 0.02 2 943 . 104 LEU C C 176.72 0.1 1 944 . 104 LEU CA C 54.20 0.1 1 945 . 104 LEU CB C 43.00 0.1 1 946 . 104 LEU CD1 C 24.07 0.1 2 947 . 104 LEU CD2 C 22.12 0.1 2 948 . 104 LEU N N 116.88 0.1 1 949 . 105 ASN H H 7.97 0.02 1 950 . 105 ASN HA H 4.48 0.02 1 951 . 105 ASN HB2 H 3.02 0.02 2 952 . 105 ASN C C 176.30 0.1 1 953 . 105 ASN CA C 56.10 0.1 1 954 . 105 ASN CB C 38.03 0.1 1 955 . 105 ASN N N 117.47 0.1 1 956 . 106 GLY H H 9.16 0.02 1 957 . 106 GLY HA2 H 3.55 0.02 2 958 . 106 GLY HA3 H 4.24 0.02 2 959 . 106 GLY C C 174.55 0.1 1 960 . 106 GLY CA C 45.14 0.1 1 961 . 106 GLY N N 117.86 0.1 1 962 . 107 PHE H H 7.90 0.02 1 963 . 107 PHE HA H 4.18 0.02 1 964 . 107 PHE HB2 H 2.84 0.02 2 965 . 107 PHE HB3 H 3.24 0.02 2 966 . 107 PHE HD1 H 7.17 0.02 3 967 . 107 PHE HE1 H 6.95 0.02 3 968 . 107 PHE HZ H 7.20 0.02 1 969 . 107 PHE C C 175.20 0.1 1 970 . 107 PHE CA C 58.75 0.1 1 971 . 107 PHE CB C 41.05 0.1 1 972 . 107 PHE N N 122.01 0.1 1 973 . 108 ASN H H 7.78 0.02 1 974 . 108 ASN HA H 5.03 0.02 1 975 . 108 ASN HB2 H 2.34 0.02 2 976 . 108 ASN HB3 H 2.42 0.02 2 977 . 108 ASN C C 174.63 0.1 1 978 . 108 ASN CA C 52.40 0.1 1 979 . 108 ASN CB C 38.82 0.1 1 980 . 108 ASN N N 124.77 0.1 1 981 . 109 ILE H H 8.64 0.02 1 982 . 109 ILE HA H 4.14 0.02 1 983 . 109 ILE HB H 1.72 0.02 1 984 . 109 ILE HG12 H 1.53 0.02 2 985 . 109 ILE HG2 H 0.95 0.02 1 986 . 109 ILE HD1 H 0.95 0.02 1 987 . 109 ILE C C 174.58 0.1 1 988 . 109 ILE CA C 58.54 0.1 1 989 . 109 ILE CB C 39.91 0.1 1 990 . 109 ILE CG1 C 27.71 0.1 1 991 . 109 ILE CG2 C 14.12 0.1 1 992 . 109 ILE CD1 C 13.45 0.1 1 993 . 109 ILE N N 123.44 0.1 1 994 . 110 LEU H H 8.98 0.02 1 995 . 110 LEU HA H 3.67 0.02 1 996 . 110 LEU HB2 H 1.73 0.02 2 997 . 110 LEU HB3 H 1.47 0.02 2 998 . 110 LEU HG H 1.19 0.02 1 999 . 110 LEU HD1 H 0.80 0.02 1 1000 . 110 LEU HD2 H 0.80 0.02 1 1001 . 110 LEU C C 175.80 0.1 1 1002 . 110 LEU CA C 55.52 0.1 1 1003 . 110 LEU CB C 38.71 0.1 1 1004 . 110 LEU CG C 25.63 0.1 1 1005 . 110 LEU CD1 C 22.43 0.1 2 1006 . 110 LEU N N 124.02 0.1 1 1007 . 111 ASN H H 8.98 0.02 1 1008 . 111 ASN HA H 4.46 0.02 1 1009 . 111 ASN HB2 H 2.83 0.02 2 1010 . 111 ASN HB3 H 3.01 0.02 2 1011 . 111 ASN HD21 H 6.81 0.02 2 1012 . 111 ASN HD22 H 7.46 0.02 2 1013 . 111 ASN C C 175.15 0.1 1 1014 . 111 ASN CA C 53.41 0.1 1 1015 . 111 ASN CB C 36.90 0.1 1 1016 . 111 ASN N N 112.32 0.1 1 1017 . 112 LYS H H 8.26 0.02 1 1018 . 112 LYS HA H 4.56 0.02 1 1019 . 112 LYS HB2 H 1.87 0.02 2 1020 . 112 LYS HB3 H 2.11 0.02 2 1021 . 112 LYS HG2 H 1.29 0.02 2 1022 . 112 LYS HD2 H 1.58 0.02 2 1023 . 112 LYS C C 175.53 0.1 1 1024 . 112 LYS CA C 53.71 0.1 1 1025 . 112 LYS CB C 34.83 0.1 1 1026 . 112 LYS CG C 24.44 0.1 1 1027 . 112 LYS CD C 27.81 0.1 1 1028 . 112 LYS N N 119.67 0.1 1 1029 . 113 ARG H H 7.91 0.02 1 1030 . 113 ARG HA H 4.85 0.02 1 1031 . 113 ARG HB2 H 1.25 0.02 2 1032 . 113 ARG HB3 H 1.47 0.02 2 1033 . 113 ARG HG2 H 1.81 0.02 2 1034 . 113 ARG HG3 H 1.99 0.02 2 1035 . 113 ARG HD2 H 3.03 0.02 2 1036 . 113 ARG HD3 H 3.20 0.02 2 1037 . 113 ARG C C 175.91 0.1 1 1038 . 113 ARG CA C 53.95 0.1 1 1039 . 113 ARG CB C 30.69 0.1 1 1040 . 113 ARG CG C 27.08 0.1 1 1041 . 113 ARG CD C 42.94 0.1 1 1042 . 113 ARG N N 119.53 0.1 1 1043 . 114 LEU H H 8.72 0.02 1 1044 . 114 LEU HA H 4.52 0.02 1 1045 . 114 LEU HB2 H 2.15 0.02 2 1046 . 114 LEU HG H 2.05 0.02 1 1047 . 114 LEU HD1 H 0.86 0.02 1 1048 . 114 LEU HD2 H 0.86 0.02 1 1049 . 114 LEU C C 176.83 0.1 1 1050 . 114 LEU CA C 55.25 0.1 1 1051 . 114 LEU CB C 43.04 0.1 1 1052 . 114 LEU CG C 25.86 0.1 1 1053 . 114 LEU CD1 C 22.49 0.1 2 1054 . 114 LEU N N 121.77 0.1 1 1055 . 115 LYS H H 8.33 0.02 1 1056 . 115 LYS HA H 5.16 0.02 1 1057 . 115 LYS HB2 H 1.62 0.02 2 1058 . 115 LYS HB3 H 1.87 0.02 2 1059 . 115 LYS HG2 H 1.34 0.02 2 1060 . 115 LYS HG3 H 1.51 0.02 2 1061 . 115 LYS HD2 H 1.57 0.02 2 1062 . 115 LYS HE2 H 2.93 0.02 2 1063 . 115 LYS C C 175.44 0.1 1 1064 . 115 LYS CA C 54.36 0.1 1 1065 . 115 LYS CB C 35.16 0.1 1 1066 . 115 LYS CG C 24.54 0.1 1 1067 . 115 LYS CD C 29.24 0.1 1 1068 . 115 LYS N N 122.53 0.1 1 1069 . 116 VAL H H 8.70 0.02 1 1070 . 116 VAL HA H 4.77 0.02 1 1071 . 116 VAL HB H 1.78 0.02 1 1072 . 116 VAL HG1 H 0.95 0.02 1 1073 . 116 VAL HG2 H 0.95 0.02 1 1074 . 116 VAL C C 174.49 0.1 1 1075 . 116 VAL CA C 60.83 0.1 1 1076 . 116 VAL CB C 34.49 0.1 1 1077 . 116 VAL CG1 C 21.94 0.1 2 1078 . 116 VAL CG2 C 23.63 0.1 2 1079 . 116 VAL N N 125.63 0.1 1 1080 . 117 ALA H H 8.34 0.02 1 1081 . 117 ALA HA H 4.47 0.02 1 1082 . 117 ALA HB H 1.31 0.02 1 1083 . 117 ALA C C 175.81 0.1 1 1084 . 117 ALA CA C 50.24 0.1 1 1085 . 117 ALA CB C 22.64 0.1 1 1086 . 117 ALA N N 126.16 0.1 1 1087 . 118 LEU H H 8.78 0.02 1 1088 . 118 LEU HA H 4.35 0.02 1 1089 . 118 LEU HB2 H 1.60 0.02 2 1090 . 118 LEU HB3 H 1.64 0.02 2 1091 . 118 LEU HG H 1.29 0.02 1 1092 . 118 LEU HD1 H 0.69 0.02 2 1093 . 118 LEU HD2 H 0.74 0.02 2 1094 . 118 LEU C C 176.99 0.1 1 1095 . 118 LEU CA C 55.91 0.1 1 1096 . 118 LEU CB C 41.02 0.1 1 1097 . 118 LEU CG C 31.50 0.1 1 1098 . 118 LEU CD1 C 24.25 0.1 2 1099 . 118 LEU CD2 C 21.86 0.1 2 1100 . 118 LEU N N 120.09 0.1 1 1101 . 119 ALA H H 8.81 0.02 1 1102 . 119 ALA HA H 4.10 0.02 1 1103 . 119 ALA HB H 1.39 0.02 1 1104 . 119 ALA C C 176.73 0.1 1 1105 . 119 ALA CA C 53.41 0.1 1 1106 . 119 ALA CB C 18.13 0.1 1 1107 . 119 ALA N N 125.70 0.1 1 1108 . 120 ALA H H 8.38 0.02 1 1109 . 120 ALA HA H 4.32 0.02 1 1110 . 120 ALA HB H 1.35 0.02 1 1111 . 120 ALA C C 176.48 0.1 1 1112 . 120 ALA CA C 51.83 0.1 1 1113 . 120 ALA CB C 18.73 0.1 1 1114 . 120 ALA N N 119.25 0.1 1 1115 . 121 SER H H 7.90 0.02 1 1116 . 121 SER HA H 4.35 0.02 1 1117 . 121 SER HB2 H 3.82 0.02 2 1118 . 121 SER C C 175.38 0.1 1 1119 . 121 SER CA C 58.08 0.1 1 1120 . 121 SER CB C 63.54 0.1 1 1121 . 121 SER N N 113.19 0.1 1 1122 . 122 GLY H H 8.21 0.02 1 1123 . 122 GLY HA2 H 3.81 0.02 1 1124 . 122 GLY HA3 H 3.81 0.02 1 1125 . 122 GLY CA C 45.09 0.1 1 1126 . 122 GLY N N 109.08 0.1 1 1127 . 126 PRO HA H 4.33 0.02 1 1128 . 126 PRO HB2 H 2.18 0.02 2 1129 . 126 PRO HB3 H 1.84 0.02 2 1130 . 126 PRO HG2 H 1.88 0.02 2 1131 . 126 PRO HD2 H 3.52 0.02 2 1132 . 126 PRO HD3 H 3.68 0.02 2 1133 . 126 PRO C C 176.57 0.1 1 1134 . 126 PRO CA C 62.74 0.1 1 1135 . 126 PRO CB C 31.60 0.1 1 1136 . 126 PRO CG C 26.81 0.1 1 1137 . 126 PRO CD C 50.49 0.1 1 1138 . 127 GLY H H 8.32 0.02 1 1139 . 127 GLY HA2 H 3.87 0.02 2 1140 . 127 GLY C C 174.95 0.1 1 1141 . 127 GLY CA C 44.81 0.1 1 1142 . 127 GLY N N 108.25 0.1 1 1143 . 128 ILE H H 7.78 0.02 1 1144 . 128 ILE HA H 4.10 0.02 1 1145 . 128 ILE HB H 1.78 0.02 1 1146 . 128 ILE HG12 H 1.08 0.02 2 1147 . 128 ILE HG13 H 1.32 0.02 2 1148 . 128 ILE HG2 H 0.81 0.02 1 1149 . 128 ILE HD1 H 0.78 0.02 1 1150 . 128 ILE C C 174.95 0.1 1 1151 . 128 ILE CA C 60.40 0.1 1 1152 . 128 ILE N N 108.25 0.1 1 1153 . 129 ALA H H 8.32 0.02 1 1154 . 129 ALA HA H 4.23 0.02 1 1155 . 129 ALA HB H 1.30 0.02 1 1156 . 129 ALA C C 176.89 0.1 1 1157 . 129 ALA CA C 52.12 0.1 1 1158 . 129 ALA CB C 18.49 0.1 1 1159 . 129 ALA N N 126.88 0.1 1 1160 . 130 GLY H H 8.20 0.02 1 1161 . 130 GLY HA2 H 3.85 0.02 2 1162 . 130 GLY C C 174.74 0.1 1 1163 . 130 GLY CA C 44.60 0.1 1 1164 . 130 GLY N N 107.54 0.1 1 1165 . 131 ALA H H 7.98 0.02 1 1166 . 131 ALA HA H 4.30 0.02 1 1167 . 131 ALA HB H 1.29 0.02 1 1168 . 131 ALA C C 176.76 0.1 1 1169 . 131 ALA CA C 51.74 0.1 1 1170 . 131 ALA CB C 18.86 0.1 1 1171 . 131 ALA N N 122.82 0.1 1 1172 . 132 VAL H H 8.04 0.02 1 1173 . 132 VAL HA H 4.04 0.02 1 1174 . 132 VAL HB H 1.99 0.02 1 1175 . 132 VAL HG1 H 0.84 0.02 1 1176 . 132 VAL HG2 H 0.84 0.02 1 1177 . 132 VAL C C 176.27 0.1 1 1178 . 132 VAL CA C 61.84 0.1 1 1179 . 132 VAL CB C 32.20 0.1 1 1180 . 132 VAL CG1 C 20.30 0.1 2 1181 . 132 VAL N N 117.92 0.1 1 1182 . 133 GLY H H 8.29 0.02 1 1183 . 133 GLY HA2 H 3.88 0.02 2 1184 . 133 GLY C C 174.83 0.1 1 1185 . 133 GLY CA C 44.78 0.1 1 1186 . 133 GLY N N 111.18 0.1 1 1187 . 134 ASP H H 8.13 0.02 1 1188 . 134 ASP HA H 4.52 0.02 1 1189 . 134 ASP HB2 H 2.59 0.02 2 1190 . 134 ASP C C 176.35 0.1 1 1191 . 134 ASP CA C 53.65 0.1 1 1192 . 134 ASP CB C 40.82 0.1 1 1193 . 134 ASP N N 119.47 0.1 1 1194 . 135 GLY H H 8.30 0.02 1 1195 . 135 GLY HA2 H 3.86 0.02 2 1196 . 135 GLY C C 175.05 0.1 1 1197 . 135 GLY CA C 45.11 0.1 1 1198 . 135 GLY N N 107.97 0.1 1 1199 . 136 ASN H H 8.21 0.02 1 1200 . 136 ASN HA H 4.62 0.02 1 1201 . 136 ASN HB2 H 2.68 0.02 2 1202 . 136 ASN C C 175.67 0.1 1 1203 . 136 ASN CA C 52.68 0.1 1 1204 . 136 ASN CB C 38.56 0.1 1 1205 . 136 ASN N N 117.48 0.1 1 1206 . 137 GLY H H 8.25 0.02 1 1207 . 137 GLY HA2 H 3.77 0.02 2 1208 . 137 GLY C C 174.68 0.1 1 1209 . 137 GLY CA C 44.87 0.1 1 1210 . 137 GLY N N 107.68 0.1 1 1211 . 138 TYR H H 7.86 0.02 1 1212 . 138 TYR HA H 4.52 0.02 1 1213 . 138 TYR HB2 H 2.83 0.02 2 1214 . 138 TYR HB3 H 3.00 0.02 2 1215 . 138 TYR HD1 H 6.97 0.02 3 1216 . 138 TYR C C 175.26 0.1 1 1217 . 138 TYR CA C 56.92 0.1 1 1218 . 138 TYR CB C 38.25 0.1 1 1219 . 138 TYR N N 118.60 0.1 1 1220 . 139 LEU H H 7.61 0.02 1 1221 . 139 LEU HA H 4.10 0.02 1 1222 . 139 LEU HB2 H 1.47 0.02 2 1223 . 139 LEU HG H 1.47 0.02 1 1224 . 139 LEU HD1 H 0.79 0.02 1 1225 . 139 LEU HD2 H 0.79 0.02 1 1226 . 139 LEU CA C 56.35 0.1 1 1227 . 139 LEU CB C 43.22 0.1 1 1228 . 139 LEU N N 127.31 0.1 1 stop_ save_