data_16726 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of myristoylated Neuronal Calcium Sensor 1(NCS1) in membrane bound form. ; _BMRB_accession_number 16726 _BMRB_flat_file_name bmr16726.str _Entry_type original _Submission_date 2010-02-15 _Accession_date 2010-02-15 _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 Chary Kandala V. . 2 Chandra Kousik . . 3 Ramakrishnan Venkatesh . . 4 Sharma Yogendra . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 898 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-15 original author . stop_ _Original_release_date 2011-02-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of myristoylated and non-myristoylated neuronal calcium sensor-1(NCS-1) embedded in a membrane' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20490953 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chandra Kousik . . 2 Ramakrishnan Venkatesh . . 3 Sharma Yogendra V. . 4 Chary Kandala V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 155 _Page_last 158 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'myristoylated NCS1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'myristoylated NCS1' $entity stop_ _System_molecular_weight 21737.79 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'myristoylated NCS1' _Molecular_mass . _Mol_thiol_state 'not available' loop_ _Biological_function 'NCS-1 interact with many proteins, some in calcium dependent and some in calcium independent ways like calcineurin, GRK2 (G-protein-coupled receptor kinase 2), D2 Dopamine receptor, IL1RAPL (interleukin-1 receptor accessory protein-like protein ARF1 (ADP Ribosylation factor, Nitric oxide synthase etc.' 'NCS-1 plays an important role in the modulation of neurotransmitter release and phosphatidylinositol signaling pathway.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MGKSNSKLKPEVVEELTRKT YFTEKEVQQWYKGFIKDCPS GQLDAAGFQKIYKQFFPFGD PTKFATFVFNVFDENKDGRI EFSEFIQALSVTSRGTLDEK LRWAFKLYDLDNDGYITRNE MLDIVDAIYQMVGNTVELPE EENTPEKRVDRIFAMMDKNA DGKLTLQEFQEGSKADPSIV QALSLYDGLV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 SER 5 ASN 6 SER 7 LYS 8 LEU 9 LYS 10 PRO 11 GLU 12 VAL 13 VAL 14 GLU 15 GLU 16 LEU 17 THR 18 ARG 19 LYS 20 THR 21 TYR 22 PHE 23 THR 24 GLU 25 LYS 26 GLU 27 VAL 28 GLN 29 GLN 30 TRP 31 TYR 32 LYS 33 GLY 34 PHE 35 ILE 36 LYS 37 ASP 38 CYS 39 PRO 40 SER 41 GLY 42 GLN 43 LEU 44 ASP 45 ALA 46 ALA 47 GLY 48 PHE 49 GLN 50 LYS 51 ILE 52 TYR 53 LYS 54 GLN 55 PHE 56 PHE 57 PRO 58 PHE 59 GLY 60 ASP 61 PRO 62 THR 63 LYS 64 PHE 65 ALA 66 THR 67 PHE 68 VAL 69 PHE 70 ASN 71 VAL 72 PHE 73 ASP 74 GLU 75 ASN 76 LYS 77 ASP 78 GLY 79 ARG 80 ILE 81 GLU 82 PHE 83 SER 84 GLU 85 PHE 86 ILE 87 GLN 88 ALA 89 LEU 90 SER 91 VAL 92 THR 93 SER 94 ARG 95 GLY 96 THR 97 LEU 98 ASP 99 GLU 100 LYS 101 LEU 102 ARG 103 TRP 104 ALA 105 PHE 106 LYS 107 LEU 108 TYR 109 ASP 110 LEU 111 ASP 112 ASN 113 ASP 114 GLY 115 TYR 116 ILE 117 THR 118 ARG 119 ASN 120 GLU 121 MET 122 LEU 123 ASP 124 ILE 125 VAL 126 ASP 127 ALA 128 ILE 129 TYR 130 GLN 131 MET 132 VAL 133 GLY 134 ASN 135 THR 136 VAL 137 GLU 138 LEU 139 PRO 140 GLU 141 GLU 142 GLU 143 ASN 144 THR 145 PRO 146 GLU 147 LYS 148 ARG 149 VAL 150 ASP 151 ARG 152 ILE 153 PHE 154 ALA 155 MET 156 MET 157 ASP 158 LYS 159 ASN 160 ALA 161 ASP 162 GLY 163 LYS 164 LEU 165 THR 166 LEU 167 GLN 168 GLU 169 PHE 170 GLN 171 GLU 172 GLY 173 SER 174 LYS 175 ALA 176 ASP 177 PRO 178 SER 179 ILE 180 VAL 181 GLN 182 ALA 183 LEU 184 SER 185 LEU 186 TYR 187 ASP 188 GLY 189 LEU 190 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 16334 Nonmyristoylated_Neuronal_Calcium_Sensor1 100.00 190 100.00 100.00 1.00e-135 BMRB 4378 "calcium loaded un-myristoylated rat frequenin" 100.00 190 100.00 100.00 1.00e-135 PDB 1G8I "Crystal Structure Of Human Frequenin (Neuronal Calcium Sensor 1)" 100.00 190 100.00 100.00 1.00e-135 PDB 2LCP "Nmr Structure Of Calcium Loaded, Un-Myristoylated Human Ncs-1" 100.00 190 100.00 100.00 1.00e-135 PDB 4GUK "New Crystal Form Structure Of Human Ncs1" 100.00 190 100.00 100.00 1.00e-135 PDB 4OV2 "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" 93.16 179 100.00 100.00 8.39e-126 PDB 4UYC "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" 100.00 190 100.00 100.00 1.00e-135 PDB 4YRU "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" 93.16 177 100.00 100.00 9.13e-126 PDB 5AEQ "Neuronal Calcium Sensor (ncs-1)from Rattus Norvegicus" 100.00 190 100.00 100.00 1.00e-135 PDB 5AER "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With D2 Dopamine Receptor Peptide From Homo Sapiens" 100.00 190 100.00 100.00 1.00e-135 PDB 5AFP "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" 100.00 190 100.00 100.00 1.00e-135 DBJ BAC37557 "unnamed protein product [Mus musculus]" 90.00 171 99.42 100.00 1.66e-120 DBJ BAG73169 "frequenin homolog [synthetic construct]" 100.00 190 100.00 100.00 1.00e-135 EMBL CAA57678 "frequenin-like protein [Rattus norvegicus]" 100.00 190 100.00 100.00 1.00e-135 EMBL CAA58867 "frequenin-like ubiquitous protein [Homo sapiens]" 100.00 190 100.00 100.00 1.00e-135 EMBL CAG05167 "unnamed protein product [Tetraodon nigroviridis]" 100.00 190 97.89 99.47 6.55e-133 EMBL CAH90617 "hypothetical protein [Pongo abelii]" 100.00 190 99.47 99.47 1.83e-134 EMBL CAJ81731 "frequenin homolog (Drosophila) [Xenopus (Silurana) tropicalis]" 100.00 190 99.47 100.00 3.84e-135 GB AAA85633 "mouse neuronal calcium sensor homologue [Gallus gallus]" 100.00 190 100.00 100.00 1.00e-135 GB AAA88510 "neuronal calcium sensor [Rattus norvegicus]" 100.00 190 100.00 100.00 1.00e-135 GB AAC59690 "frequenin [Xenopus laevis]" 100.00 190 98.95 99.47 1.79e-134 GB AAD01642 "neuronal calcium sensor-1 [Mus musculus]" 100.00 190 100.00 100.00 1.00e-135 GB AAF01804 "frequenin [Homo sapiens]" 100.00 190 98.95 98.95 1.27e-133 REF NP_001018350 "neuronal calcium sensor 1 [Danio rerio]" 100.00 190 97.89 100.00 4.00e-133 REF NP_001035637 "neuronal calcium sensor 1 [Bos taurus]" 100.00 190 98.95 99.47 3.17e-134 REF NP_001084088 "neuronal calcium sensor 1 [Xenopus laevis]" 100.00 190 98.95 99.47 1.79e-134 REF NP_001085136 "uncharacterized protein LOC432213 [Xenopus laevis]" 100.00 190 98.95 100.00 1.72e-134 REF NP_001122298 "neuronal calcium sensor 1 isoform 2 [Homo sapiens]" 88.42 172 100.00 100.00 7.06e-119 SP P62166 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 1.00e-135 SP P62167 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 1.00e-135 SP P62168 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 1.00e-135 SP Q2V8Y7 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog" 100.00 190 98.95 99.47 3.17e-134 SP Q5RC90 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog" 100.00 190 99.47 99.47 1.83e-134 TPG DAA24173 "TPA: frequenin homolog [Bos taurus]" 88.42 168 99.40 99.40 1.18e-117 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET21a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.8 1 '[U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' Tris 50 mM . . 'natural abundance' KCl 100 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' "Rochus' PhD thesis, Diss. ETH Nr. 15947." www.nmr.ch. stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'sample was prepared in a buffer of pH 7.4 containing 50mM Tris, 100mM KCL, 1mM DTT. The buffer contained membrane(15%) that was prepared from mixture of DMPC and DHPC in the ratio of 3:1.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 7.4 0.1 pH pressure 1 . atm temperature 310 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'myristoylated NCS1' _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 8 8 LEU H H 8.39 0.02 1 2 8 8 LEU HA H 4.51 0.02 1 3 8 8 LEU HB2 H 1.83 0.02 2 4 8 8 LEU HB3 H 1.67 0.02 2 5 8 8 LEU HD1 H 0.99 0.02 1 6 8 8 LEU HD2 H 0.70 0.02 1 7 8 8 LEU HG H 1.38 0.02 1 8 8 8 LEU N N 124.21 0.30 1 9 9 9 LYS H H 8.33 0.02 1 10 9 9 LYS HA H 4.26 0.02 1 11 9 9 LYS HB2 H 1.96 0.02 2 12 9 9 LYS HB3 H 2.17 0.02 2 13 9 9 LYS HD2 H 1.69 0.02 1 14 9 9 LYS HD3 H 1.69 0.02 1 15 9 9 LYS HE2 H 2.78 0.02 2 16 9 9 LYS HE3 H 2.76 0.02 2 17 9 9 LYS HG2 H 1.78 0.02 2 18 9 9 LYS HG3 H 1.67 0.02 2 19 9 9 LYS N N 124.35 0.30 1 20 11 11 GLU H H 9.91 0.02 1 21 11 11 GLU HA H 4.21 0.02 1 22 11 11 GLU HB2 H 2.00 0.02 2 23 11 11 GLU HB3 H 2.11 0.02 2 24 11 11 GLU HG2 H 2.43 0.02 2 25 11 11 GLU HG3 H 2.36 0.02 2 26 11 11 GLU N N 117.23 0.30 1 27 12 12 VAL H H 7.36 0.02 1 28 12 12 VAL HA H 3.91 0.02 1 29 12 12 VAL HB H 2.24 0.02 1 30 12 12 VAL HG1 H 1.04 0.02 1 31 12 12 VAL HG2 H 1.08 0.02 1 32 12 12 VAL N N 122.31 0.30 1 33 13 13 VAL H H 7.70 0.02 1 34 13 13 VAL HA H 4.17 0.02 1 35 13 13 VAL HB H 2.10 0.02 1 36 13 13 VAL HG1 H 0.95 0.02 1 37 13 13 VAL HG2 H 1.07 0.02 1 38 13 13 VAL N N 119.98 0.30 1 39 14 14 GLU H H 8.26 0.02 1 40 14 14 GLU HA H 3.98 0.02 1 41 14 14 GLU HB2 H 2.04 0.02 2 42 14 14 GLU HB3 H 2.09 0.02 2 43 14 14 GLU HG2 H 2.25 0.02 2 44 14 14 GLU HG3 H 2.31 0.02 2 45 14 14 GLU N N 119.22 0.30 1 46 15 15 GLU H H 7.45 0.02 1 47 15 15 GLU HA H 4.05 0.02 1 48 15 15 GLU HB2 H 1.80 0.02 2 49 15 15 GLU HB3 H 1.86 0.02 2 50 15 15 GLU HG2 H 2.07 0.02 2 51 15 15 GLU HG3 H 2.02 0.02 2 52 15 15 GLU N N 119.33 0.30 1 53 16 16 LEU H H 8.43 0.02 1 54 16 16 LEU HA H 4.05 0.02 1 55 16 16 LEU HB2 H 2.04 0.02 2 56 16 16 LEU HB3 H 1.91 0.02 2 57 16 16 LEU HD1 H 0.95 0.02 1 58 16 16 LEU HG H 1.27 0.02 1 59 16 16 LEU N N 117.51 0.30 1 60 17 17 THR H H 8.56 0.02 1 61 17 17 THR HA H 4.13 0.02 1 62 17 17 THR HB H 4.38 0.02 1 63 17 17 THR HG2 H 1.29 0.02 1 64 17 17 THR N N 114.71 0.30 1 65 18 18 ARG H H 7.48 0.02 1 66 18 18 ARG HA H 4.34 0.02 1 67 18 18 ARG HB2 H 2.03 0.02 2 68 18 18 ARG HB3 H 2.10 0.02 2 69 18 18 ARG HD2 H 3.24 0.02 2 70 18 18 ARG HD3 H 3.13 0.02 2 71 18 18 ARG HG2 H 1.83 0.02 2 72 18 18 ARG HG3 H 1.77 0.02 2 73 18 18 ARG N N 119.28 0.30 1 74 19 19 LYS H H 7.53 0.02 1 75 19 19 LYS HA H 4.35 0.02 1 76 19 19 LYS HB2 H 1.97 0.02 2 77 19 19 LYS HB3 H 2.01 0.02 2 78 19 19 LYS HD2 H 1.61 0.02 1 79 19 19 LYS HD3 H 1.61 0.02 1 80 19 19 LYS HE2 H 2.93 0.02 1 81 19 19 LYS HE3 H 2.93 0.02 1 82 19 19 LYS HG2 H 1.50 0.02 2 83 19 19 LYS HG3 H 1.75 0.02 2 84 19 19 LYS N N 115.69 0.30 1 85 20 20 THR H H 7.32 0.02 1 86 20 20 THR HA H 4.86 0.02 1 87 20 20 THR HB H 4.16 0.02 1 88 20 20 THR HG2 H 1.27 0.02 1 89 20 20 THR N N 108.96 0.30 1 90 21 21 TYR H H 7.62 0.02 1 91 21 21 TYR HA H 4.63 0.02 1 92 21 21 TYR HB2 H 2.91 0.02 1 93 21 21 TYR HB3 H 2.91 0.02 1 94 21 21 TYR N N 114.30 0.30 1 95 22 22 PHE H H 7.69 0.02 1 96 22 22 PHE HA H 4.75 0.02 1 97 22 22 PHE HB2 H 2.80 0.02 2 98 22 22 PHE HB3 H 2.77 0.02 2 99 22 22 PHE N N 119.36 0.30 1 100 23 23 THR H H 9.35 0.02 1 101 23 23 THR HA H 5.12 0.02 1 102 23 23 THR HB H 4.41 0.02 1 103 23 23 THR HG2 H 1.42 0.02 1 104 23 23 THR N N 112.04 0.30 1 105 24 24 GLU H H 9.17 0.02 1 106 24 24 GLU HA H 4.56 0.02 1 107 24 24 GLU HB2 H 2.12 0.02 2 108 24 24 GLU HB3 H 2.04 0.02 2 109 24 24 GLU HG2 H 2.35 0.02 2 110 24 24 GLU HG3 H 2.38 0.02 2 111 24 24 GLU N N 121.01 0.30 1 112 25 25 LYS H H 8.09 0.02 1 113 25 25 LYS HA H 4.35 0.02 1 114 25 25 LYS HB2 H 1.88 0.02 2 115 25 25 LYS HB3 H 1.95 0.02 2 116 25 25 LYS HD2 H 1.61 0.02 1 117 25 25 LYS HD3 H 1.61 0.02 1 118 25 25 LYS HE2 H 2.93 0.02 1 119 25 25 LYS HE3 H 2.93 0.02 1 120 25 25 LYS HG2 H 1.27 0.02 2 121 25 25 LYS HG3 H 1.31 0.02 2 122 25 25 LYS N N 117.68 0.30 1 123 26 26 GLU H H 7.63 0.02 1 124 26 26 GLU HA H 4.03 0.02 1 125 26 26 GLU HB2 H 1.85 0.02 2 126 26 26 GLU HB3 H 1.81 0.02 2 127 26 26 GLU HG2 H 2.30 0.02 2 128 26 26 GLU HG3 H 2.57 0.02 2 129 26 26 GLU N N 119.34 0.30 1 130 27 27 VAL H H 8.94 0.02 1 131 27 27 VAL HA H 3.61 0.02 1 132 27 27 VAL HB H 2.33 0.02 1 133 27 27 VAL HG1 H 1.03 0.02 1 134 27 27 VAL HG2 H 1.08 0.02 1 135 27 27 VAL N N 119.84 0.30 1 136 28 28 GLN H H 7.97 0.02 1 137 28 28 GLN HA H 4.10 0.02 1 138 28 28 GLN HB2 H 2.23 0.02 2 139 28 28 GLN HB3 H 2.07 0.02 2 140 28 28 GLN HG2 H 2.67 0.02 2 141 28 28 GLN HG3 H 2.40 0.02 2 142 28 28 GLN N N 116.37 0.30 1 143 29 29 GLN H H 8.19 0.02 1 144 29 29 GLN HA H 4.06 0.02 1 145 29 29 GLN HB2 H 1.94 0.02 1 146 29 29 GLN HB3 H 1.94 0.02 1 147 29 29 GLN HG2 H 2.38 0.02 2 148 29 29 GLN HG3 H 2.20 0.02 2 149 29 29 GLN N N 120.66 0.30 1 150 30 30 TRP H H 8.77 0.02 1 151 30 30 TRP HA H 4.64 0.02 1 152 30 30 TRP HB2 H 3.44 0.02 2 153 30 30 TRP HB3 H 3.37 0.02 2 154 30 30 TRP HE1 H 10.22 0.02 1 155 30 30 TRP N N 120.87 0.30 1 156 30 30 TRP NE1 N 129.17 0.30 1 157 31 31 TYR H H 8.72 0.02 1 158 31 31 TYR HA H 4.21 0.02 1 159 31 31 TYR HB2 H 2.86 0.02 2 160 31 31 TYR HB3 H 2.53 0.02 2 161 31 31 TYR N N 121.19 0.30 1 162 32 32 LYS H H 7.75 0.02 1 163 32 32 LYS HA H 3.77 0.02 1 164 32 32 LYS HB2 H 1.94 0.02 2 165 32 32 LYS HB3 H 1.91 0.02 2 166 32 32 LYS HD2 H 1.68 0.02 1 167 32 32 LYS HD3 H 1.68 0.02 1 168 32 32 LYS HE2 H 2.87 0.02 1 169 32 32 LYS HE3 H 2.87 0.02 1 170 32 32 LYS HG2 H 1.69 0.02 2 171 32 32 LYS HG3 H 1.66 0.02 2 172 32 32 LYS N N 117.28 0.30 1 173 33 33 GLY H H 7.65 0.02 1 174 33 33 GLY HA2 H 3.61 0.02 2 175 33 33 GLY HA3 H 3.51 0.02 2 176 33 33 GLY N N 104.44 0.30 1 177 34 34 PHE H H 8.75 0.02 1 178 34 34 PHE HA H 3.86 0.02 1 179 34 34 PHE HB2 H 3.32 0.02 2 180 34 34 PHE HB3 H 3.19 0.02 2 181 34 34 PHE N N 124.71 0.30 1 182 35 35 ILE H H 8.33 0.02 1 183 35 35 ILE HA H 3.82 0.02 1 184 35 35 ILE HB H 1.92 0.02 1 185 35 35 ILE HD1 H 0.63 0.02 1 186 35 35 ILE HG12 H 1.11 0.02 2 187 35 35 ILE HG13 H 1.04 0.02 2 188 35 35 ILE HG2 H 0.76 0.02 1 189 35 35 ILE N N 115.75 0.30 1 190 36 36 LYS H H 7.11 0.02 1 191 36 36 LYS HA H 3.88 0.02 1 192 36 36 LYS HB2 H 1.88 0.02 1 193 36 36 LYS HB3 H 1.88 0.02 1 194 36 36 LYS HG2 H 1.38 0.02 1 195 36 36 LYS HG3 H 1.38 0.02 1 196 36 36 LYS N N 121.40 0.30 1 197 37 37 ASP H H 6.94 0.02 1 198 37 37 ASP HA H 3.93 0.02 1 199 37 37 ASP HB2 H 2.65 0.02 2 200 37 37 ASP HB3 H 1.92 0.02 2 201 37 37 ASP N N 115.76 0.30 1 202 38 38 CYS H H 8.00 0.02 1 203 38 38 CYS HA H 4.66 0.02 1 204 38 38 CYS HB2 H 2.56 0.02 2 205 38 38 CYS HB3 H 2.57 0.02 2 206 38 38 CYS HG H 1.88 0.02 1 207 38 38 CYS N N 120.35 0.30 1 208 40 40 SER H H 8.22 0.02 1 209 40 40 SER HA H 4.41 0.02 1 210 40 40 SER HB2 H 4.13 0.02 2 211 40 40 SER HB3 H 3.94 0.02 2 212 40 40 SER N N 111.44 0.30 1 213 41 41 GLY H H 8.62 0.02 1 214 41 41 GLY HA2 H 3.71 0.02 1 215 41 41 GLY HA3 H 3.71 0.02 1 216 41 41 GLY N N 110.30 0.30 1 217 42 42 GLN H H 7.56 0.02 1 218 42 42 GLN HA H 4.97 0.02 1 219 42 42 GLN HB2 H 1.97 0.02 2 220 42 42 GLN HB3 H 1.91 0.02 2 221 42 42 GLN HG2 H 2.34 0.02 2 222 42 42 GLN HG3 H 2.23 0.02 2 223 42 42 GLN N N 117.24 0.30 1 224 43 43 LEU H H 8.88 0.02 1 225 43 43 LEU HA H 4.70 0.02 1 226 43 43 LEU HB2 H 1.81 0.02 2 227 43 43 LEU HB3 H 2.21 0.02 2 228 43 43 LEU HD1 H 0.99 0.02 1 229 43 43 LEU HD2 H 0.99 0.02 1 230 43 43 LEU HG H 1.77 0.02 1 231 43 43 LEU N N 126.24 0.30 1 232 44 44 ASP H H 8.29 0.02 1 233 44 44 ASP HA H 5.15 0.02 1 234 44 44 ASP HB2 H 2.74 0.02 2 235 44 44 ASP HB3 H 3.24 0.02 2 236 44 44 ASP N N 124.94 0.30 1 237 45 45 ALA H H 8.34 0.02 1 238 45 45 ALA HA H 3.25 0.02 1 239 45 45 ALA HB H 0.78 0.02 1 240 45 45 ALA N N 122.37 0.30 1 241 46 46 ALA H H 7.97 0.02 1 242 46 46 ALA HA H 4.04 0.02 1 243 46 46 ALA HB H 1.43 0.02 1 244 46 46 ALA N N 120.26 0.30 1 245 47 47 GLY H H 8.57 0.02 1 246 47 47 GLY HA2 H 3.88 0.02 1 247 47 47 GLY HA3 H 3.88 0.02 1 248 47 47 GLY N N 108.97 0.30 1 249 48 48 PHE H H 8.76 0.02 1 250 48 48 PHE HA H 4.03 0.02 1 251 48 48 PHE HB2 H 3.39 0.02 2 252 48 48 PHE HB3 H 3.19 0.02 2 253 48 48 PHE N N 124.33 0.30 1 254 49 49 GLN H H 8.54 0.02 1 255 49 49 GLN HA H 3.78 0.02 1 256 49 49 GLN HB2 H 2.36 0.02 2 257 49 49 GLN HB3 H 2.19 0.02 2 258 49 49 GLN HG2 H 2.60 0.02 2 259 49 49 GLN HG3 H 2.55 0.02 2 260 49 49 GLN N N 117.56 0.30 1 261 50 50 LYS H H 10.16 0.02 1 262 50 50 LYS HA H 3.93 0.02 1 263 50 50 LYS HB2 H 1.90 0.02 2 264 50 50 LYS HB3 H 1.86 0.02 2 265 50 50 LYS HD2 H 1.71 0.02 1 266 50 50 LYS HD3 H 1.71 0.02 1 267 50 50 LYS HE2 H 2.93 0.02 1 268 50 50 LYS HE3 H 2.93 0.02 1 269 50 50 LYS HG2 H 1.45 0.02 2 270 50 50 LYS HG3 H 1.46 0.02 2 271 50 50 LYS N N 130.03 0.30 1 272 51 51 ILE H H 7.47 0.02 1 273 51 51 ILE HA H 3.73 0.02 1 274 51 51 ILE HB H 2.02 0.02 1 275 51 51 ILE HD1 H 0.72 0.02 1 276 51 51 ILE HG12 H 1.18 0.02 2 277 51 51 ILE HG13 H 1.22 0.02 2 278 51 51 ILE HG2 H 0.91 0.02 1 279 51 51 ILE N N 119.61 0.30 1 280 53 53 LYS H H 8.15 0.02 1 281 53 53 LYS HA H 4.06 0.02 1 282 53 53 LYS N N 117.55 0.30 1 283 54 54 GLN H H 7.36 0.02 1 284 54 54 GLN HA H 3.93 0.02 1 285 54 54 GLN HB2 H 2.08 0.02 2 286 54 54 GLN HB3 H 1.97 0.02 2 287 54 54 GLN HG2 H 2.22 0.02 2 288 54 54 GLN HG3 H 2.24 0.02 2 289 54 54 GLN N N 115.82 0.30 1 290 55 55 PHE H H 7.25 0.02 1 291 55 55 PHE HA H 4.17 0.02 1 292 55 55 PHE HB2 H 2.03 0.02 2 293 55 55 PHE HB3 H 2.65 0.02 2 294 55 55 PHE N N 116.01 0.30 1 295 56 56 PHE H H 7.80 0.02 1 296 56 56 PHE HA H 4.93 0.02 1 297 56 56 PHE HB2 H 2.59 0.02 2 298 56 56 PHE HB3 H 2.80 0.02 2 299 56 56 PHE N N 116.80 0.30 1 300 58 58 PHE H H 8.39 0.02 1 301 58 58 PHE HA H 4.73 0.02 1 302 58 58 PHE HB2 H 3.01 0.02 1 303 58 58 PHE HB3 H 3.01 0.02 1 304 58 58 PHE N N 117.40 0.30 1 305 59 59 GLY H H 7.58 0.02 1 306 59 59 GLY HA2 H 4.00 0.02 1 307 59 59 GLY HA3 H 4.00 0.02 1 308 59 59 GLY N N 109.18 0.30 1 309 60 60 ASP H H 8.00 0.02 1 310 60 60 ASP HA H 5.42 0.02 1 311 60 60 ASP HB2 H 2.96 0.02 2 312 60 60 ASP HB3 H 2.62 0.02 2 313 60 60 ASP N N 118.39 0.30 1 314 62 62 THR H H 8.03 0.02 1 315 62 62 THR HA H 4.71 0.02 1 316 62 62 THR HB H 4.08 0.02 1 317 62 62 THR HG2 H 1.09 0.02 1 318 62 62 THR N N 116.64 0.30 1 319 63 63 LYS H H 8.50 0.02 1 320 63 63 LYS HA H 3.80 0.02 1 321 63 63 LYS HB2 H 1.80 0.02 2 322 63 63 LYS HB3 H 1.91 0.02 2 323 63 63 LYS HG2 H 1.13 0.02 2 324 63 63 LYS HG3 H 1.33 0.02 2 325 63 63 LYS N N 121.86 0.30 1 326 64 64 PHE H H 9.05 0.02 1 327 64 64 PHE HA H 4.77 0.02 1 328 64 64 PHE HB2 H 2.89 0.02 2 329 64 64 PHE HB3 H 2.86 0.02 2 330 64 64 PHE N N 119.98 0.30 1 331 65 65 ALA H H 8.92 0.02 1 332 65 65 ALA HA H 3.44 0.02 1 333 65 65 ALA HB H 1.24 0.02 1 334 65 65 ALA N N 117.68 0.30 1 335 66 66 THR H H 7.43 0.02 1 336 66 66 THR HA H 3.79 0.02 1 337 66 66 THR HB H 4.06 0.02 1 338 66 66 THR HG2 H 1.03 0.02 1 339 66 66 THR N N 113.72 0.30 1 340 67 67 PHE H H 7.22 0.02 1 341 67 67 PHE HA H 4.52 0.02 1 342 67 67 PHE HB2 H 2.87 0.02 2 343 67 67 PHE HB3 H 2.80 0.02 2 344 67 67 PHE N N 120.56 0.30 1 345 68 68 VAL H H 8.27 0.02 1 346 68 68 VAL HA H 3.49 0.02 1 347 68 68 VAL HB H 2.10 0.02 1 348 68 68 VAL HG1 H 0.91 0.02 1 349 68 68 VAL HG2 H 1.02 0.02 1 350 68 68 VAL N N 119.44 0.30 1 351 69 69 PHE H H 8.66 0.02 1 352 69 69 PHE HA H 3.79 0.02 1 353 69 69 PHE HB2 H 3.18 0.02 2 354 69 69 PHE HB3 H 2.91 0.02 2 355 69 69 PHE N N 122.57 0.30 1 356 70 70 ASN H H 7.48 0.02 1 357 70 70 ASN HA H 4.45 0.02 1 358 70 70 ASN HB2 H 2.94 0.02 2 359 70 70 ASN HB3 H 2.89 0.02 2 360 70 70 ASN N N 112.87 0.30 1 361 71 71 VAL H H 7.31 0.02 1 362 71 71 VAL HA H 3.74 0.02 1 363 71 71 VAL HB H 1.85 0.02 1 364 71 71 VAL HG1 H 0.35 0.02 1 365 71 71 VAL HG2 H 0.65 0.02 1 366 71 71 VAL N N 117.05 0.30 1 367 72 72 PHE H H 8.02 0.02 1 368 72 72 PHE HA H 4.68 0.02 1 369 72 72 PHE HB2 H 3.27 0.02 2 370 72 72 PHE HB3 H 3.30 0.02 2 371 72 72 PHE N N 119.92 0.30 1 372 73 73 ASP H H 7.73 0.02 1 373 73 73 ASP HA H 4.40 0.02 1 374 73 73 ASP HB2 H 2.93 0.02 2 375 73 73 ASP HB3 H 2.65 0.02 2 376 73 73 ASP N N 117.02 0.30 1 377 74 74 GLU H H 7.66 0.02 1 378 74 74 GLU HA H 3.96 0.02 1 379 74 74 GLU HB2 H 2.08 0.02 2 380 74 74 GLU HB3 H 2.09 0.02 2 381 74 74 GLU HG2 H 2.36 0.02 2 382 74 74 GLU HG3 H 2.57 0.02 2 383 74 74 GLU N N 128.65 0.30 1 384 75 75 ASN H H 7.88 0.02 1 385 75 75 ASN HA H 4.68 0.02 1 386 75 75 ASN HB2 H 2.89 0.02 2 387 75 75 ASN HB3 H 2.84 0.02 2 388 75 75 ASN N N 111.90 0.30 1 389 76 76 LYS H H 7.74 0.02 1 390 76 76 LYS HA H 4.05 0.02 1 391 76 76 LYS HB2 H 2.03 0.02 2 392 76 76 LYS HB3 H 1.90 0.02 2 393 76 76 LYS HD2 H 1.60 0.02 1 394 76 76 LYS HD3 H 1.60 0.02 1 395 76 76 LYS HE2 H 2.93 0.02 1 396 76 76 LYS HE3 H 2.93 0.02 1 397 76 76 LYS HG2 H 1.39 0.02 1 398 76 76 LYS HG3 H 1.39 0.02 1 399 76 76 LYS N N 115.09 0.30 1 400 77 77 ASP H H 8.29 0.02 1 401 77 77 ASP HA H 4.74 0.02 1 402 77 77 ASP HB2 H 2.38 0.02 2 403 77 77 ASP HB3 H 2.46 0.02 2 404 77 77 ASP N N 117.92 0.30 1 405 78 78 GLY H H 10.48 0.02 1 406 78 78 GLY HA2 H 4.34 0.02 2 407 78 78 GLY HA3 H 3.59 0.02 2 408 78 78 GLY N N 112.42 0.30 1 409 79 79 ARG H H 8.11 0.02 1 410 79 79 ARG HA H 5.24 0.02 1 411 79 79 ARG HB2 H 1.72 0.02 1 412 79 79 ARG HB3 H 1.72 0.02 1 413 79 79 ARG HD2 H 3.76 0.02 2 414 79 79 ARG HD3 H 3.79 0.02 2 415 79 79 ARG HG2 H 1.56 0.02 2 416 79 79 ARG HG3 H 1.31 0.02 2 417 79 79 ARG N N 118.24 0.30 1 418 80 80 ILE H H 9.83 0.02 1 419 80 80 ILE HA H 5.22 0.02 1 420 80 80 ILE HB H 2.03 0.02 1 421 80 80 ILE HD1 H 0.20 0.02 1 422 80 80 ILE HG12 H 1.23 0.02 1 423 80 80 ILE HG13 H 1.23 0.02 1 424 80 80 ILE HG2 H 0.16 0.02 1 425 80 80 ILE N N 125.94 0.30 1 426 81 81 GLU H H 8.62 0.02 1 427 81 81 GLU HA H 4.92 0.02 1 428 81 81 GLU HB2 H 2.02 0.02 2 429 81 81 GLU HB3 H 2.03 0.02 2 430 81 81 GLU HG2 H 2.38 0.02 2 431 81 81 GLU HG3 H 2.44 0.02 2 432 81 81 GLU N N 126.09 0.30 1 433 82 82 PHE H H 9.79 0.02 1 434 82 82 PHE HA H 3.93 0.02 1 435 82 82 PHE HB2 H 2.41 0.02 2 436 82 82 PHE HB3 H 2.96 0.02 2 437 82 82 PHE N N 123.69 0.30 1 438 83 83 SER H H 9.28 0.02 1 439 83 83 SER HA H 4.71 0.02 1 440 83 83 SER HB2 H 3.89 0.02 2 441 83 83 SER HB3 H 3.84 0.02 2 442 83 83 SER N N 112.26 0.30 1 443 84 84 GLU H H 6.62 0.02 1 444 84 84 GLU HA H 4.08 0.02 1 445 84 84 GLU HB2 H 2.40 0.02 1 446 84 84 GLU HB3 H 2.40 0.02 1 447 84 84 GLU HG2 H 2.57 0.02 2 448 84 84 GLU HG3 H 2.58 0.02 2 449 84 84 GLU N N 120.37 0.30 1 450 85 85 PHE H H 8.23 0.02 1 451 85 85 PHE HA H 4.08 0.02 1 452 85 85 PHE HB2 H 2.92 0.02 2 453 85 85 PHE HB3 H 2.89 0.02 2 454 85 85 PHE N N 121.56 0.30 1 455 86 86 ILE H H 8.47 0.02 1 456 86 86 ILE HA H 3.39 0.02 1 457 86 86 ILE HB H 2.11 0.02 1 458 86 86 ILE HD1 H 0.43 0.02 1 459 86 86 ILE HG12 H 0.97 0.02 2 460 86 86 ILE HG13 H 0.90 0.02 2 461 86 86 ILE HG2 H 0.69 0.02 1 462 86 86 ILE N N 116.89 0.30 1 463 87 87 GLN H H 7.29 0.02 1 464 87 87 GLN HA H 3.89 0.02 1 465 87 87 GLN HB2 H 2.12 0.02 2 466 87 87 GLN HB3 H 2.08 0.02 2 467 87 87 GLN HG2 H 2.34 0.02 2 468 87 87 GLN HG3 H 2.38 0.02 2 469 87 87 GLN N N 121.65 0.30 1 470 88 88 ALA H H 7.14 0.02 1 471 88 88 ALA HA H 3.60 0.02 1 472 88 88 ALA HB H 0.98 0.02 1 473 88 88 ALA N N 121.38 0.30 1 474 89 89 LEU H H 7.68 0.02 1 475 89 89 LEU HA H 3.96 0.02 1 476 89 89 LEU HB2 H 1.77 0.02 2 477 89 89 LEU HB3 H 1.53 0.02 2 478 89 89 LEU HD1 H 0.44 0.02 1 479 89 89 LEU HD2 H 0.46 0.02 1 480 89 89 LEU HG H 1.03 0.02 1 481 89 89 LEU N N 118.98 0.30 1 482 90 90 SER H H 7.97 0.02 1 483 90 90 SER HA H 4.20 0.02 1 484 90 90 SER HB2 H 3.80 0.02 2 485 90 90 SER HB3 H 3.57 0.02 2 486 90 90 SER N N 114.22 0.30 1 487 91 91 VAL H H 7.51 0.02 1 488 91 91 VAL HA H 3.94 0.02 1 489 91 91 VAL HB H 1.93 0.02 1 490 91 91 VAL HG1 H 0.96 0.02 1 491 91 91 VAL HG2 H 0.73 0.02 1 492 91 91 VAL N N 117.12 0.30 1 493 92 92 THR H H 7.29 0.02 1 494 92 92 THR HA H 3.63 0.02 1 495 92 92 THR HB H 3.91 0.02 1 496 92 92 THR HG2 H 0.96 0.02 1 497 92 92 THR N N 106.99 0.30 1 498 93 93 SER H H 7.72 0.02 1 499 93 93 SER HA H 4.24 0.02 1 500 93 93 SER HB2 H 3.86 0.02 2 501 93 93 SER HB3 H 3.90 0.02 2 502 93 93 SER N N 113.69 0.30 1 503 94 94 ARG H H 7.77 0.02 1 504 94 94 ARG HA H 4.04 0.02 1 505 94 94 ARG HB2 H 1.87 0.02 2 506 94 94 ARG HB3 H 1.90 0.02 2 507 94 94 ARG HD2 H 3.26 0.02 1 508 94 94 ARG HD3 H 3.26 0.02 1 509 94 94 ARG HG2 H 1.50 0.02 2 510 94 94 ARG HG3 H 1.41 0.02 2 511 94 94 ARG N N 120.75 0.30 1 512 95 95 GLY H H 7.44 0.02 1 513 95 95 GLY HA2 H 3.95 0.02 2 514 95 95 GLY HA3 H 4.25 0.02 2 515 95 95 GLY N N 106.63 0.30 1 516 96 96 THR H H 8.68 0.02 1 517 96 96 THR HA H 4.29 0.02 1 518 96 96 THR HB H 3.94 0.02 1 519 96 96 THR HG2 H 1.39 0.02 1 520 96 96 THR N N 111.08 0.30 1 521 97 97 LEU H H 8.76 0.02 1 522 97 97 LEU HA H 4.04 0.02 1 523 97 97 LEU HB2 H 1.74 0.02 2 524 97 97 LEU HB3 H 1.67 0.02 2 525 97 97 LEU HD1 H 0.94 0.02 1 526 97 97 LEU HD2 H 0.94 0.02 1 527 97 97 LEU HG H 1.41 0.02 1 528 97 97 LEU N N 122.05 0.30 1 529 98 98 ASP H H 8.17 0.02 1 530 98 98 ASP HA H 4.34 0.02 1 531 98 98 ASP HB2 H 2.54 0.02 2 532 98 98 ASP HB3 H 2.56 0.02 2 533 98 98 ASP N N 115.67 0.30 1 534 99 99 GLU H H 7.69 0.02 1 535 99 99 GLU HA H 4.01 0.02 1 536 99 99 GLU N N 118.47 0.30 1 537 100 100 LYS H H 8.78 0.02 1 538 100 100 LYS HA H 3.95 0.02 1 539 100 100 LYS HB2 H 1.77 0.02 2 540 100 100 LYS HB3 H 1.99 0.02 2 541 100 100 LYS HD2 H 1.61 0.02 1 542 100 100 LYS HD3 H 1.61 0.02 1 543 100 100 LYS HE2 H 2.83 0.02 2 544 100 100 LYS HE3 H 2.85 0.02 2 545 100 100 LYS HG2 H 1.35 0.02 2 546 100 100 LYS HG3 H 1.57 0.02 2 547 100 100 LYS N N 120.15 0.30 1 548 101 101 LEU H H 8.86 0.02 1 549 101 101 LEU HA H 4.31 0.02 1 550 101 101 LEU HB2 H 2.05 0.02 2 551 101 101 LEU HB3 H 1.91 0.02 2 552 101 101 LEU HD1 H 0.93 0.02 1 553 101 101 LEU HD2 H 0.93 0.02 1 554 101 101 LEU HG H 1.54 0.02 1 555 101 101 LEU N N 119.83 0.30 1 556 102 102 ARG H H 8.01 0.02 1 557 102 102 ARG HA H 4.44 0.02 1 558 102 102 ARG HB2 H 1.94 0.02 2 559 102 102 ARG HB3 H 1.90 0.02 2 560 102 102 ARG HD2 H 3.00 0.02 2 561 102 102 ARG HD3 H 2.99 0.02 2 562 102 102 ARG HG2 H 1.55 0.02 2 563 102 102 ARG HG3 H 1.56 0.02 2 564 102 102 ARG N N 118.66 0.30 1 565 103 103 TRP H H 7.93 0.02 1 566 103 103 TRP HA H 4.02 0.02 1 567 103 103 TRP HB2 H 3.38 0.02 2 568 103 103 TRP HB3 H 3.18 0.02 2 569 103 103 TRP HE1 H 9.96 0.02 1 570 103 103 TRP N N 121.76 0.30 1 571 103 103 TRP NE1 N 128.03 0.30 1 572 104 104 ALA H H 8.81 0.02 1 573 104 104 ALA HA H 4.00 0.02 1 574 104 104 ALA HB H 1.58 0.02 1 575 104 104 ALA N N 119.47 0.30 1 576 105 105 PHE H H 8.43 0.02 1 577 105 105 PHE HA H 4.06 0.02 1 578 105 105 PHE HB2 H 2.78 0.02 2 579 105 105 PHE HB3 H 2.72 0.02 2 580 105 105 PHE N N 118.01 0.30 1 581 106 106 LYS H H 7.13 0.02 1 582 106 106 LYS HA H 3.86 0.02 1 583 106 106 LYS HB2 H 1.79 0.02 2 584 106 106 LYS HB3 H 1.81 0.02 2 585 106 106 LYS HD2 H 1.67 0.02 2 586 106 106 LYS HD3 H 1.66 0.02 2 587 106 106 LYS HE2 H 3.13 0.02 1 588 106 106 LYS HE3 H 3.13 0.02 1 589 106 106 LYS HG2 H 1.61 0.02 2 590 106 106 LYS HG3 H 1.60 0.02 2 591 106 106 LYS N N 114.64 0.30 1 592 107 107 LEU H H 7.19 0.02 1 593 107 107 LEU HA H 3.55 0.02 1 594 107 107 LEU HB2 H 1.61 0.02 2 595 107 107 LEU HB3 H 1.82 0.02 2 596 107 107 LEU HD1 H 0.70 0.02 1 597 107 107 LEU HD2 H 0.70 0.02 1 598 107 107 LEU HG H 1.52 0.02 1 599 107 107 LEU N N 119.00 0.30 1 600 108 108 TYR H H 7.12 0.02 1 601 108 108 TYR HA H 4.72 0.02 1 602 108 108 TYR HB2 H 2.60 0.02 2 603 108 108 TYR HB3 H 2.29 0.02 2 604 108 108 TYR N N 113.15 0.30 1 605 109 109 ASP H H 7.45 0.02 1 606 109 109 ASP HA H 4.40 0.02 1 607 109 109 ASP HB2 H 2.48 0.02 2 608 109 109 ASP HB3 H 2.53 0.02 2 609 109 109 ASP N N 114.71 0.30 1 610 110 110 LEU H H 7.43 0.02 1 611 110 110 LEU HA H 3.93 0.02 1 612 110 110 LEU HB2 H 1.76 0.02 2 613 110 110 LEU HB3 H 1.62 0.02 2 614 110 110 LEU HD1 H 0.55 0.02 1 615 110 110 LEU HD2 H 0.90 0.02 1 616 110 110 LEU HG H 1.36 0.02 1 617 110 110 LEU N N 124.49 0.30 1 618 111 111 ASP H H 8.23 0.02 1 619 111 111 ASP HA H 4.31 0.02 1 620 111 111 ASP HB2 H 2.81 0.02 2 621 111 111 ASP HB3 H 2.66 0.02 2 622 111 111 ASP N N 114.26 0.30 1 623 112 112 ASN H H 8.07 0.02 1 624 112 112 ASN HA H 4.35 0.02 1 625 112 112 ASN HB2 H 2.59 0.02 2 626 112 112 ASN HB3 H 2.43 0.02 2 627 112 112 ASN N N 117.03 0.30 1 628 113 113 ASP H H 8.62 0.02 1 629 113 113 ASP HA H 4.59 0.02 1 630 113 113 ASP HB2 H 3.10 0.02 2 631 113 113 ASP HB3 H 2.53 0.02 2 632 113 113 ASP N N 119.54 0.30 1 633 114 114 GLY H H 10.60 0.02 1 634 114 114 GLY HA2 H 4.05 0.02 2 635 114 114 GLY HA3 H 3.43 0.02 2 636 114 114 GLY N N 113.13 0.30 1 637 115 115 TYR H H 8.19 0.02 1 638 115 115 TYR HA H 5.41 0.02 1 639 115 115 TYR HB2 H 2.51 0.02 2 640 115 115 TYR HB3 H 2.95 0.02 2 641 115 115 TYR N N 117.22 0.30 1 642 116 116 ILE H H 9.55 0.02 1 643 116 116 ILE HA H 4.82 0.02 1 644 116 116 ILE HB H 1.62 0.02 1 645 116 116 ILE HD1 H 0.06 0.02 1 646 116 116 ILE HG12 H 0.97 0.02 1 647 116 116 ILE HG13 H 0.97 0.02 1 648 116 116 ILE N N 124.86 0.30 1 649 117 117 THR H H 9.43 0.02 1 650 117 117 THR HA H 5.00 0.02 1 651 117 117 THR HB H 4.17 0.02 1 652 117 117 THR HG2 H 1.35 0.02 1 653 117 117 THR N N 119.54 0.30 1 654 118 118 ARG H H 8.19 0.02 1 655 118 118 ARG HA H 4.06 0.02 1 656 118 118 ARG HB2 H 1.77 0.02 2 657 118 118 ARG HB3 H 1.74 0.02 2 658 118 118 ARG HG2 H 1.15 0.02 2 659 118 118 ARG HG3 H 1.12 0.02 2 660 118 118 ARG N N 121.43 0.30 1 661 119 119 ASN H H 8.13 0.02 1 662 119 119 ASN HA H 4.39 0.02 1 663 119 119 ASN HB2 H 3.09 0.02 2 664 119 119 ASN HB3 H 2.58 0.02 2 665 119 119 ASN N N 114.25 0.30 1 666 120 120 GLU H H 7.43 0.02 1 667 120 120 GLU HA H 4.06 0.02 1 668 120 120 GLU HB2 H 2.05 0.02 2 669 120 120 GLU HB3 H 2.22 0.02 2 670 120 120 GLU HG2 H 2.83 0.02 2 671 120 120 GLU HG3 H 2.52 0.02 2 672 120 120 GLU N N 121.03 0.30 1 673 121 121 MET H H 8.00 0.02 1 674 121 121 MET HA H 4.19 0.02 1 675 121 121 MET HB2 H 2.06 0.02 2 676 121 121 MET HB3 H 2.11 0.02 2 677 121 121 MET HG2 H 2.28 0.02 2 678 121 121 MET HG3 H 2.22 0.02 2 679 121 121 MET N N 115.89 0.30 1 680 122 122 LEU H H 8.70 0.02 1 681 122 122 LEU HA H 3.89 0.02 1 682 122 122 LEU HB2 H 1.87 0.02 2 683 122 122 LEU HB3 H 1.63 0.02 2 684 122 122 LEU HD1 H 0.90 0.02 1 685 122 122 LEU HD2 H 0.90 0.02 1 686 122 122 LEU HG H 1.58 0.02 1 687 122 122 LEU N N 118.65 0.30 1 688 123 123 ASP H H 7.62 0.02 1 689 123 123 ASP HA H 4.62 0.02 1 690 123 123 ASP HB2 H 2.57 0.02 2 691 123 123 ASP HB3 H 2.89 0.02 2 692 123 123 ASP N N 119.91 0.30 1 693 124 124 ILE H H 7.52 0.02 1 694 124 124 ILE HA H 4.67 0.02 1 695 124 124 ILE HB H 1.73 0.02 1 696 124 124 ILE HD1 H 0.89 0.02 1 697 124 124 ILE HG12 H 1.38 0.02 1 698 124 124 ILE HG2 H 0.98 0.02 1 699 124 124 ILE N N 118.18 0.30 1 700 125 125 VAL H H 8.92 0.02 1 701 125 125 VAL HA H 3.62 0.02 1 702 125 125 VAL HB H 1.97 0.02 1 703 125 125 VAL HG1 H 0.80 0.02 1 704 125 125 VAL HG2 H 1.08 0.02 1 705 125 125 VAL N N 120.36 0.30 1 706 126 126 ASP H H 9.15 0.02 1 707 126 126 ASP HA H 4.26 0.02 1 708 126 126 ASP HB2 H 2.80 0.02 2 709 126 126 ASP HB3 H 2.81 0.02 2 710 126 126 ASP N N 120.05 0.30 1 711 127 127 ALA H H 7.84 0.02 1 712 127 127 ALA HA H 4.17 0.02 1 713 127 127 ALA HB H 1.46 0.02 1 714 127 127 ALA N N 120.11 0.30 1 715 128 128 ILE H H 8.82 0.02 1 716 128 128 ILE HA H 4.27 0.02 1 717 128 128 ILE HB H 1.94 0.02 1 718 128 128 ILE HD1 H 0.81 0.02 1 719 128 128 ILE HG12 H 1.28 0.02 1 720 128 128 ILE HG13 H 1.28 0.02 1 721 128 128 ILE HG2 H 0.79 0.02 1 722 128 128 ILE N N 122.19 0.30 1 723 129 129 TYR H H 9.07 0.02 1 724 129 129 TYR HA H 4.21 0.02 1 725 129 129 TYR HB2 H 3.42 0.02 2 726 129 129 TYR HB3 H 3.11 0.02 2 727 129 129 TYR N N 122.31 0.30 1 728 130 130 GLN H H 8.52 0.02 1 729 130 130 GLN HA H 4.20 0.02 1 730 130 130 GLN HB2 H 1.98 0.02 2 731 130 130 GLN HB3 H 1.92 0.02 2 732 130 130 GLN HG2 H 2.42 0.02 2 733 130 130 GLN HG3 H 2.57 0.02 2 734 130 130 GLN N N 118.12 0.30 1 735 131 131 MET H H 7.70 0.02 1 736 131 131 MET HA H 4.17 0.02 1 737 131 131 MET HB2 H 1.81 0.02 2 738 131 131 MET HB3 H 1.83 0.02 2 739 131 131 MET HG2 H 2.07 0.02 2 740 131 131 MET HG3 H 2.18 0.02 2 741 131 131 MET N N 120.35 0.30 1 742 132 132 VAL H H 8.11 0.02 1 743 132 132 VAL HA H 4.08 0.02 1 744 132 132 VAL HB H 2.17 0.02 1 745 132 132 VAL HG1 H 0.85 0.02 1 746 132 132 VAL HG2 H 0.89 0.02 1 747 132 132 VAL N N 112.65 0.30 1 748 133 133 GLY H H 7.88 0.02 1 749 133 133 GLY HA2 H 3.85 0.02 2 750 133 133 GLY HA3 H 4.05 0.02 2 751 133 133 GLY N N 108.42 0.30 1 752 134 134 ASN H H 8.48 0.02 1 753 134 134 ASN HA H 4.91 0.02 1 754 134 134 ASN HB2 H 2.88 0.02 2 755 134 134 ASN HB3 H 2.89 0.02 2 756 134 134 ASN N N 118.74 0.30 1 757 135 135 THR H H 8.06 0.02 1 758 135 135 THR HA H 4.23 0.02 1 759 135 135 THR HB H 4.31 0.02 1 760 135 135 THR HG2 H 1.23 0.02 1 761 135 135 THR N N 110.94 0.30 1 762 136 136 VAL H H 7.39 0.02 1 763 136 136 VAL HA H 4.27 0.02 1 764 136 136 VAL HB H 1.95 0.02 1 765 136 136 VAL HG1 H 0.83 0.02 1 766 136 136 VAL HG2 H 0.82 0.02 1 767 136 136 VAL N N 118.26 0.30 1 768 137 137 GLU H H 8.34 0.02 1 769 137 137 GLU HA H 4.25 0.02 1 770 137 137 GLU HB2 H 1.85 0.02 2 771 137 137 GLU HB3 H 1.97 0.02 2 772 137 137 GLU HG2 H 2.21 0.02 1 773 137 137 GLU HG3 H 2.21 0.02 1 774 137 137 GLU N N 123.84 0.30 1 775 138 138 LEU H H 8.22 0.02 1 776 138 138 LEU HA H 4.61 0.02 1 777 138 138 LEU HB2 H 1.58 0.02 2 778 138 138 LEU HB3 H 1.25 0.02 2 779 138 138 LEU HD1 H 0.75 0.02 1 780 138 138 LEU HD2 H 0.76 0.02 1 781 138 138 LEU HG H 1.56 0.02 1 782 138 138 LEU N N 125.84 0.30 1 783 139 139 PRO HA H 4.45 0.02 1 784 140 140 GLU H H 8.71 0.02 1 785 140 140 GLU HA H 4.00 0.02 1 786 140 140 GLU HB2 H 1.96 0.02 2 787 140 140 GLU HB3 H 2.06 0.02 2 788 140 140 GLU HG2 H 2.35 0.02 2 789 140 140 GLU HG3 H 2.30 0.02 2 790 140 140 GLU N N 123.87 0.30 1 791 141 141 GLU H H 8.98 0.02 1 792 141 141 GLU HA H 4.19 0.02 1 793 141 141 GLU HB2 H 1.99 0.02 2 794 141 141 GLU HB3 H 2.08 0.02 2 795 141 141 GLU HG2 H 2.36 0.02 2 796 141 141 GLU HG3 H 2.33 0.02 2 797 141 141 GLU N N 115.06 0.30 1 798 142 142 GLU H H 7.99 0.02 1 799 142 142 GLU HA H 4.53 0.02 1 800 142 142 GLU HB2 H 1.68 0.02 2 801 142 142 GLU HB3 H 1.82 0.02 2 802 142 142 GLU HG2 H 2.19 0.02 2 803 142 142 GLU HG3 H 2.22 0.02 2 804 142 142 GLU N N 115.88 0.30 1 805 143 143 ASN H H 7.58 0.02 1 806 143 143 ASN HA H 4.56 0.02 1 807 143 143 ASN HB2 H 2.91 0.02 2 808 143 143 ASN HB3 H 2.89 0.02 2 809 143 143 ASN N N 118.49 0.30 1 810 144 144 THR H H 7.33 0.02 1 811 144 144 THR HA H 4.61 0.02 1 812 144 144 THR HB H 4.35 0.02 1 813 144 144 THR HG2 H 1.21 0.02 1 814 144 144 THR N N 108.82 0.30 1 815 146 146 GLU H H 8.75 0.02 1 816 146 146 GLU HA H 3.69 0.02 1 817 146 146 GLU HB2 H 1.91 0.02 2 818 146 146 GLU HB3 H 1.93 0.02 2 819 146 146 GLU HG2 H 2.28 0.02 2 820 146 146 GLU HG3 H 2.31 0.02 2 821 146 146 GLU N N 116.07 0.30 1 822 147 147 LYS H H 7.58 0.02 1 823 147 147 LYS HA H 3.95 0.02 1 824 147 147 LYS HB2 H 2.03 0.02 2 825 147 147 LYS HB3 H 1.98 0.02 2 826 147 147 LYS HD2 H 1.77 0.02 2 827 147 147 LYS HD3 H 1.78 0.02 2 828 147 147 LYS HE2 H 2.93 0.02 1 829 147 147 LYS HE3 H 2.93 0.02 1 830 147 147 LYS HG2 H 1.43 0.02 2 831 147 147 LYS HG3 H 1.45 0.02 2 832 147 147 LYS N N 118.04 0.30 1 833 148 148 ARG H H 7.82 0.02 1 834 148 148 ARG HA H 4.10 0.02 1 835 148 148 ARG HB2 H 2.11 0.02 2 836 148 148 ARG HB3 H 2.07 0.02 2 837 148 148 ARG HD2 H 3.13 0.02 1 838 148 148 ARG HD3 H 3.13 0.02 1 839 148 148 ARG HG2 H 1.75 0.02 2 840 148 148 ARG HG3 H 1.79 0.02 2 841 148 148 ARG N N 119.03 0.30 1 842 149 149 VAL H H 8.57 0.02 1 843 149 149 VAL HA H 3.69 0.02 1 844 149 149 VAL HB H 2.12 0.02 1 845 149 149 VAL HG1 H 0.79 0.02 1 846 149 149 VAL HG2 H 0.98 0.02 1 847 149 149 VAL N N 118.54 0.30 1 848 150 150 ASP H H 8.41 0.02 1 849 150 150 ASP HA H 4.52 0.02 1 850 150 150 ASP HB2 H 2.85 0.02 2 851 150 150 ASP HB3 H 2.68 0.02 2 852 150 150 ASP N N 120.03 0.30 1 853 151 151 ARG H H 7.80 0.02 1 854 152 152 ILE H H 8.29 0.02 1 855 152 152 ILE HA H 3.73 0.02 1 856 152 152 ILE HB H 1.80 0.02 1 857 152 152 ILE HD1 H 0.84 0.02 1 858 152 152 ILE HG12 H 1.11 0.02 1 859 152 152 ILE N N 120.43 0.30 1 860 153 153 PHE H H 9.16 0.02 1 861 153 153 PHE HA H 4.56 0.02 1 862 153 153 PHE HB2 H 3.30 0.02 2 863 153 153 PHE HB3 H 3.14 0.02 2 864 153 153 PHE N N 120.36 0.30 1 865 154 154 ALA H H 8.08 0.02 1 866 154 154 ALA HA H 4.20 0.02 1 867 154 154 ALA HB H 1.60 0.02 1 868 154 154 ALA N N 120.39 0.30 1 869 155 155 MET H H 7.52 0.02 1 870 155 155 MET HA H 4.31 0.02 1 871 155 155 MET HB2 H 2.19 0.02 2 872 155 155 MET HB3 H 2.09 0.02 2 873 155 155 MET HG2 H 2.31 0.02 2 874 155 155 MET HG3 H 2.56 0.02 2 875 155 155 MET N N 113.82 0.30 1 876 156 156 MET H H 8.24 0.02 1 877 156 156 MET HA H 4.50 0.02 1 878 156 156 MET HB2 H 1.83 0.02 2 879 156 156 MET HB3 H 1.76 0.02 2 880 156 156 MET HG2 H 2.22 0.02 1 881 156 156 MET HG3 H 2.22 0.02 1 882 156 156 MET N N 113.54 0.30 1 883 157 157 ASP H H 8.40 0.02 1 884 157 157 ASP HA H 4.60 0.02 1 885 157 157 ASP HB2 H 2.27 0.02 2 886 157 157 ASP HB3 H 3.28 0.02 2 887 157 157 ASP N N 118.78 0.30 1 888 158 158 LYS H H 7.80 0.02 1 889 158 158 LYS HA H 4.09 0.02 1 890 158 158 LYS HB2 H 1.93 0.02 2 891 158 158 LYS HB3 H 1.97 0.02 2 892 158 158 LYS HG2 H 1.46 0.02 2 893 158 158 LYS HG3 H 1.70 0.02 2 894 158 158 LYS N N 127.00 0.30 1 895 159 159 ASN H H 7.90 0.02 1 896 159 159 ASN HA H 4.84 0.02 1 897 159 159 ASN HB2 H 3.28 0.02 2 898 159 159 ASN HB3 H 2.77 0.02 2 899 159 159 ASN N N 113.06 0.30 1 900 160 160 ALA H H 7.80 0.02 1 901 160 160 ALA HA H 4.13 0.02 1 902 160 160 ALA HB H 1.49 0.02 1 903 160 160 ALA N N 119.85 0.30 1 904 161 161 ASP H H 8.23 0.02 1 905 161 161 ASP HA H 5.47 0.02 1 906 161 161 ASP HB2 H 2.45 0.02 2 907 161 161 ASP HB3 H 3.02 0.02 2 908 161 161 ASP N N 116.59 0.30 1 909 162 162 GLY H H 10.50 0.02 1 910 162 162 GLY HA2 H 4.12 0.02 1 911 162 162 GLY HA3 H 4.12 0.02 1 912 162 162 GLY N N 112.46 0.30 1 913 163 163 LYS H H 8.04 0.02 1 914 163 163 LYS HA H 5.35 0.02 1 915 163 163 LYS HB2 H 1.56 0.02 2 916 163 163 LYS HB3 H 1.61 0.02 2 917 163 163 LYS HG2 H 1.10 0.02 2 918 163 163 LYS HG3 H 1.08 0.02 2 919 163 163 LYS N N 117.53 0.30 1 920 164 164 LEU H H 9.88 0.02 1 921 164 164 LEU HA H 5.32 0.02 1 922 164 164 LEU HB2 H 1.60 0.02 2 923 164 164 LEU HB3 H 1.61 0.02 2 924 164 164 LEU HG H 1.36 0.02 1 925 164 164 LEU N N 124.05 0.30 1 926 165 165 THR H H 8.79 0.02 1 927 165 165 THR HA H 5.84 0.02 1 928 165 165 THR HB H 4.76 0.02 1 929 165 165 THR HG2 H 1.52 0.02 1 930 165 165 THR N N 113.56 0.30 1 931 166 166 LEU H H 8.87 0.02 1 932 166 166 LEU HA H 3.45 0.02 1 933 166 166 LEU HB2 H 1.52 0.02 2 934 166 166 LEU HB3 H 1.53 0.02 2 935 166 166 LEU HD1 H 0.37 0.02 1 936 166 166 LEU HD2 H 0.59 0.02 1 937 166 166 LEU HG H 1.26 0.02 1 938 166 166 LEU N N 123.31 0.30 1 939 167 167 GLN H H 8.09 0.02 1 940 167 167 GLN HA H 4.09 0.02 1 941 167 167 GLN HB2 H 2.09 0.02 2 942 167 167 GLN HB3 H 1.95 0.02 2 943 167 167 GLN HG2 H 2.40 0.02 2 944 167 167 GLN HG3 H 2.14 0.02 2 945 167 167 GLN N N 117.45 0.30 1 946 168 168 GLU H H 7.93 0.02 1 947 168 168 GLU HA H 4.11 0.02 1 948 168 168 GLU HB2 H 2.05 0.02 2 949 168 168 GLU HB3 H 1.95 0.02 2 950 168 168 GLU HG2 H 2.33 0.02 2 951 168 168 GLU HG3 H 2.37 0.02 2 952 168 168 GLU N N 118.88 0.30 1 953 169 169 PHE H H 8.89 0.02 1 954 169 169 PHE HA H 4.12 0.02 1 955 169 169 PHE HB2 H 3.13 0.02 2 956 169 169 PHE HB3 H 3.48 0.02 2 957 169 169 PHE N N 122.27 0.30 1 958 170 170 GLN H H 9.45 0.02 1 959 170 170 GLN HA H 3.90 0.02 1 960 170 170 GLN HB2 H 2.08 0.02 2 961 170 170 GLN HB3 H 2.10 0.02 2 962 170 170 GLN HG2 H 2.38 0.02 2 963 170 170 GLN HG3 H 2.35 0.02 2 964 170 170 GLN N N 119.96 0.30 1 965 171 171 GLU H H 8.31 0.02 1 966 171 171 GLU HA H 3.99 0.02 1 967 171 171 GLU HB2 H 2.06 0.02 2 968 171 171 GLU HB3 H 2.08 0.02 2 969 171 171 GLU HG2 H 2.34 0.02 2 970 171 171 GLU HG3 H 2.38 0.02 2 971 171 171 GLU N N 118.31 0.30 1 972 172 172 GLY H H 8.37 0.02 1 973 172 172 GLY HA2 H 4.03 0.02 1 974 172 172 GLY HA3 H 4.03 0.02 1 975 172 172 GLY N N 107.40 0.30 1 976 173 173 SER H H 7.86 0.02 1 977 173 173 SER HA H 4.34 0.02 1 978 173 173 SER HB2 H 4.03 0.02 2 979 173 173 SER HB3 H 3.99 0.02 2 980 173 173 SER N N 116.91 0.30 1 981 174 174 LYS H H 7.16 0.02 1 982 174 174 LYS HA H 4.01 0.02 1 983 174 174 LYS HB2 H 1.83 0.02 2 984 174 174 LYS HB3 H 1.81 0.02 2 985 174 174 LYS HG2 H 1.36 0.02 2 986 174 174 LYS HG3 H 1.39 0.02 2 987 174 174 LYS N N 118.62 0.30 1 988 175 175 ALA H H 7.22 0.02 1 989 175 175 ALA HA H 4.32 0.02 1 990 175 175 ALA HB H 1.49 0.02 1 991 175 175 ALA N N 119.88 0.30 1 992 176 176 ASP H H 7.54 0.02 1 993 176 176 ASP HA H 5.00 0.02 1 994 176 176 ASP HB2 H 2.78 0.02 2 995 176 176 ASP HB3 H 2.75 0.02 2 996 176 176 ASP N N 114.75 0.30 1 997 178 178 SER H H 8.27 0.02 1 998 178 178 SER HA H 4.72 0.02 1 999 178 178 SER HB2 H 3.93 0.02 2 1000 178 178 SER HB3 H 3.95 0.02 2 1001 178 178 SER N N 116.08 0.30 1 1002 179 179 ILE H H 7.44 0.02 1 1003 179 179 ILE HA H 4.04 0.02 1 1004 179 179 ILE HB H 1.92 0.02 1 1005 179 179 ILE HD1 H 0.76 0.02 1 1006 179 179 ILE HG12 H 1.28 0.02 2 1007 179 179 ILE HG13 H 0.80 0.02 2 1008 179 179 ILE N N 120.45 0.30 1 1009 180 180 VAL H H 7.41 0.02 1 1010 180 180 VAL HA H 4.18 0.02 1 1011 180 180 VAL HB H 1.78 0.02 1 1012 180 180 VAL HG1 H 1.00 0.02 1 1013 180 180 VAL HG2 H 0.97 0.02 1 1014 180 180 VAL N N 117.00 0.30 1 1015 181 181 GLN H H 7.90 0.02 1 1016 181 181 GLN HA H 4.35 0.02 1 1017 181 181 GLN HB2 H 2.09 0.02 2 1018 181 181 GLN HB3 H 2.10 0.02 2 1019 181 181 GLN HG2 H 2.48 0.02 2 1020 181 181 GLN HG3 H 2.28 0.02 2 1021 181 181 GLN N N 121.13 0.30 1 1022 182 182 ALA H H 7.95 0.02 1 1023 182 182 ALA HA H 4.36 0.02 1 1024 182 182 ALA HB H 1.44 0.02 1 1025 182 182 ALA N N 120.51 0.30 1 1026 183 183 LEU H H 7.59 0.02 1 1027 183 183 LEU HA H 4.34 0.02 1 1028 183 183 LEU HB2 H 1.49 0.02 2 1029 183 183 LEU HB3 H 1.43 0.02 2 1030 183 183 LEU HD1 H 1.05 0.02 1 1031 183 183 LEU HD2 H 1.05 0.02 1 1032 183 183 LEU HG H 1.85 0.02 1 1033 183 183 LEU N N 115.69 0.30 1 1034 184 184 SER H H 7.73 0.02 1 1035 184 184 SER HA H 4.74 0.02 1 1036 184 184 SER HB2 H 3.97 0.02 2 1037 184 184 SER HB3 H 4.24 0.02 2 1038 184 184 SER N N 113.24 0.30 1 1039 185 185 LEU H H 8.10 0.02 1 1040 185 185 LEU HA H 4.70 0.02 1 1041 185 185 LEU HB2 H 1.58 0.02 2 1042 185 185 LEU HB3 H 1.54 0.02 2 1043 185 185 LEU HD1 H 0.53 0.02 1 1044 185 185 LEU HD2 H 0.53 0.02 1 1045 185 185 LEU HG H 1.34 0.02 1 1046 185 185 LEU N N 125.96 0.30 1 1047 186 186 TYR H H 7.36 0.02 1 1048 186 186 TYR HA H 4.13 0.02 1 1049 186 186 TYR HB2 H 2.68 0.02 1 1050 186 186 TYR HB3 H 2.68 0.02 1 1051 186 186 TYR N N 115.70 0.30 1 1052 187 187 ASP H H 7.84 0.02 1 1053 187 187 ASP HA H 4.54 0.02 1 1054 187 187 ASP HB2 H 2.67 0.02 2 1055 187 187 ASP HB3 H 2.82 0.02 2 1056 187 187 ASP N N 120.20 0.30 1 1057 188 188 GLY H H 8.10 0.02 1 1058 188 188 GLY HA2 H 3.85 0.02 2 1059 188 188 GLY HA3 H 4.54 0.02 2 1060 188 188 GLY N N 108.94 0.30 1 1061 189 189 LEU H H 8.03 0.02 1 1062 189 189 LEU HA H 4.36 0.02 1 1063 189 189 LEU HB2 H 1.68 0.02 2 1064 189 189 LEU HB3 H 1.60 0.02 2 1065 189 189 LEU HD1 H 0.80 0.02 1 1066 189 189 LEU HD2 H 0.81 0.02 1 1067 189 189 LEU HG H 1.56 0.02 1 1068 189 189 LEU N N 121.06 0.30 1 1069 190 190 VAL H H 7.46 0.02 1 1070 190 190 VAL HA H 4.09 0.02 1 1071 190 190 VAL HB H 2.02 0.02 1 1072 190 190 VAL HG1 H 0.82 0.02 1 1073 190 190 VAL HG2 H 0.82 0.02 1 1074 190 190 VAL N N 121.93 0.30 1 stop_ save_