data_6575 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain chemical shift assignments for Human Nck2 SH2 domain ; _BMRB_accession_number 6575 _BMRB_flat_file_name bmr6575.str _Entry_type original _Submission_date 2005-04-01 _Accession_date 2005-04-01 _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 Ran Xiaoyuan . . 2 Song Jianxing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 427 "13C chemical shifts" 370 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-06-02 original author . stop_ _Original_release_date 2005-06-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Insight into the Binding Diversity between the Tyr-phosphorylated Human EphrinBs and Nck2 SH2 Domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15764601 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ran Xiaoyuan . . 2 Song Jianxing . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19205 _Page_last 19212 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nck2 SH2 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Nck2 SH2 domain' $Human_Nck2_SH2_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Human_Nck2_SH2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Nck2 SH2 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; REWYYGNVTRHQAECALNER GVEGDFLIRDSESSPSDFSV SLKASGKNKHFKVQLVDNVY CIGQRRFHTMDELVEHYKKA PIFTSEHGEKLYLVRALQ ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLU 3 TRP 4 TYR 5 TYR 6 GLY 7 ASN 8 VAL 9 THR 10 ARG 11 HIS 12 GLN 13 ALA 14 GLU 15 CYS 16 ALA 17 LEU 18 ASN 19 GLU 20 ARG 21 GLY 22 VAL 23 GLU 24 GLY 25 ASP 26 PHE 27 LEU 28 ILE 29 ARG 30 ASP 31 SER 32 GLU 33 SER 34 SER 35 PRO 36 SER 37 ASP 38 PHE 39 SER 40 VAL 41 SER 42 LEU 43 LYS 44 ALA 45 SER 46 GLY 47 LYS 48 ASN 49 LYS 50 HIS 51 PHE 52 LYS 53 VAL 54 GLN 55 LEU 56 VAL 57 ASP 58 ASN 59 VAL 60 TYR 61 CYS 62 ILE 63 GLY 64 GLN 65 ARG 66 ARG 67 PHE 68 HIS 69 THR 70 MET 71 ASP 72 GLU 73 LEU 74 VAL 75 GLU 76 HIS 77 TYR 78 LYS 79 LYS 80 ALA 81 PRO 82 ILE 83 PHE 84 THR 85 SER 86 GLU 87 HIS 88 GLY 89 GLU 90 LYS 91 LEU 92 TYR 93 LEU 94 VAL 95 ARG 96 ALA 97 LEU 98 GLN 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 1Z3K "Structural Insight Into The Binding Diversity Between The Tyr-Phosphorylated Human Ephrinbs And Nck2 Sh2 Domain" 100.00 98 100.00 100.00 1.42e-66 PDB 2CIA "Human Nck2 Sh2-Domain In Complex With A Decaphosphopeptide From Translocated Intimin Receptor (Tir) Of Epec" 98.98 102 100.00 100.00 1.32e-65 DBJ BAI47129 "NCK adaptor protein 2 [synthetic construct]" 100.00 380 100.00 100.00 6.53e-64 EMBL CAG31895 "hypothetical protein RCJMB04_13d16 [Gallus gallus]" 100.00 380 96.94 100.00 1.84e-62 GB AAC04831 "SH2/SH3 adaptor protein NCK-beta [Homo sapiens]" 100.00 381 98.98 100.00 1.86e-63 GB AAC06353 "SH2/SH3 adaptor protein [Mus musculus]" 100.00 380 96.94 100.00 3.77e-62 GB AAC80284 "Nck-2 [Homo sapiens]" 100.00 380 100.00 100.00 6.46e-64 GB AAH00103 "NCK adaptor protein 2 [Homo sapiens]" 100.00 380 100.00 100.00 6.53e-64 GB AAH07195 "NCK adaptor protein 2 [Homo sapiens]" 100.00 380 100.00 100.00 6.53e-64 PIR B46243 "epidermal growth factor-receptor-binding protein GRB-4 - mouse (fragment)" 100.00 157 96.94 100.00 5.78e-64 REF NP_001004720 "cytoplasmic protein NCK2 isoform A [Homo sapiens]" 100.00 380 100.00 100.00 6.53e-64 REF NP_001025985 "cytoplasmic protein NCK2 [Gallus gallus]" 100.00 380 96.94 100.00 1.84e-62 REF NP_001092506 "cytoplasmic protein NCK2 [Bos taurus]" 100.00 376 96.94 98.98 1.45e-62 REF NP_001101686 "cytoplasmic protein NCK2 [Rattus norvegicus]" 100.00 380 96.94 100.00 3.69e-62 REF NP_001131103 "cytoplasmic protein NCK2 [Sus scrofa]" 100.00 376 96.94 98.98 2.08e-62 SP O43639 "RecName: Full=Cytoplasmic protein NCK2; AltName: Full=Growth factor receptor-bound protein 4; AltName: Full=NCK adaptor protein" 100.00 380 100.00 100.00 6.53e-64 SP O55033 "RecName: Full=Cytoplasmic protein NCK2; AltName: Full=Growth factor receptor-bound protein 4; AltName: Full=NCK adaptor protein" 100.00 380 96.94 100.00 3.77e-62 TPG DAA24593 "TPA: NCK adaptor protein 2 [Bos taurus]" 100.00 376 96.94 98.98 1.45e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Human_Nck2_SH2_domain Human 9606 Eukaryota Metazoa Homo human 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 $Human_Nck2_SH2_domain 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Human_Nck2_SH2_domain . mM . stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 pH pressure 1 0.1 atm temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Nck2 SH2 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ARG CA C 54.249 . 1 2 1 1 ARG CB C 30.640 . 1 3 2 2 GLU H H 8.856 . 1 4 2 2 GLU C C 172.947 . 1 5 2 2 GLU CA C 58.788 . 1 6 2 2 GLU CB C 29.073 . 1 7 2 2 GLU CG C 36.029 . 1 8 2 2 GLU N N 121.919 . 1 9 3 3 TRP H H 6.130 . 1 10 3 3 TRP HA H 4.481 . 1 11 3 3 TRP HB2 H 2.710 . 2 12 3 3 TRP HB3 H 3.464 . 2 13 3 3 TRP C C 173.866 . 1 14 3 3 TRP CA C 53.846 . 1 15 3 3 TRP CB C 31.279 . 1 16 3 3 TRP N N 109.462 . 1 17 4 4 TYR H H 7.511 . 1 18 4 4 TYR HA H 5.271 . 1 19 4 4 TYR HB2 H 2.507 . 2 20 4 4 TYR HB3 H 2.766 . 2 21 4 4 TYR C C 172.030 . 1 22 4 4 TYR CA C 57.240 . 1 23 4 4 TYR CB C 37.295 . 1 24 4 4 TYR N N 121.620 . 1 25 5 5 TYR H H 9.230 . 1 26 5 5 TYR HA H 4.161 . 1 27 5 5 TYR HB2 H 2.640 . 2 28 5 5 TYR HB3 H 2.908 . 2 29 5 5 TYR CA C 58.000 . 1 30 5 5 TYR CB C 40.000 . 1 31 5 5 TYR N N 130.060 . 1 32 6 6 GLY HA2 H 3.520 . 2 33 6 6 GLY HA3 H 3.320 . 2 34 6 6 GLY C C 171.655 . 1 35 6 6 GLY CA C 46.776 . 1 36 7 7 ASN H H 8.507 . 1 37 7 7 ASN HA H 4.708 . 1 38 7 7 ASN HB2 H 2.740 . 2 39 7 7 ASN C C 172.856 . 1 40 7 7 ASN CA C 53.498 . 1 41 7 7 ASN CB C 37.049 . 1 42 7 7 ASN N N 123.464 . 1 43 8 8 VAL H H 7.297 . 1 44 8 8 VAL HA H 4.456 . 1 45 8 8 VAL HB H 1.949 . 1 46 8 8 VAL HG1 H 0.885 . 2 47 8 8 VAL HG2 H 0.694 . 2 48 8 8 VAL C C 173.561 . 1 49 8 8 VAL CA C 60.240 . 1 50 8 8 VAL CB C 33.827 . 1 51 8 8 VAL CG1 C 21.956 . 1 52 8 8 VAL CG2 C 20.371 . 1 53 8 8 VAL N N 117.317 . 1 54 9 9 THR H H 8.508 . 1 55 9 9 THR HA H 4.143 . 1 56 9 9 THR HB H 4.670 . 1 57 9 9 THR HG2 H 1.202 . 1 58 9 9 THR C C 172.518 . 1 59 9 9 THR CA C 60.854 . 1 60 9 9 THR CB C 71.285 . 1 61 9 9 THR CG2 C 21.951 . 1 62 9 9 THR N N 114.521 . 1 63 10 10 ARG H H 8.970 . 1 64 10 10 ARG HA H 3.400 . 1 65 10 10 ARG HB2 H 1.732 . 2 66 10 10 ARG HB3 H 1.540 . 2 67 10 10 ARG HG2 H 0.374 . 2 68 10 10 ARG HG3 H 1.100 . 2 69 10 10 ARG HD2 H 2.760 . 2 70 10 10 ARG C C 175.628 . 1 71 10 10 ARG CA C 60.930 . 1 72 10 10 ARG CB C 30.240 . 1 73 10 10 ARG CG C 27.314 . 1 74 10 10 ARG CD C 43.252 . 1 75 10 10 ARG N N 122.171 . 1 76 11 11 HIS H H 8.620 . 1 77 11 11 HIS HA H 4.172 . 1 78 11 11 HIS HB2 H 2.843 . 2 79 11 11 HIS HB3 H 3.000 . 2 80 11 11 HIS C C 175.788 . 1 81 11 11 HIS CA C 59.806 . 1 82 11 11 HIS CB C 30.392 . 1 83 11 11 HIS N N 116.644 . 1 84 12 12 GLN H H 7.944 . 1 85 12 12 GLN HA H 3.678 . 1 86 12 12 GLN HB2 H 2.180 . 2 87 12 12 GLN HG2 H 2.242 . 2 88 12 12 GLN C C 177.139 . 1 89 12 12 GLN CA C 59.201 . 1 90 12 12 GLN CB C 28.945 . 1 91 12 12 GLN CG C 34.908 . 1 92 12 12 GLN N N 118.766 . 1 93 13 13 ALA H H 8.563 . 1 94 13 13 ALA HA H 3.631 . 1 95 13 13 ALA HB H 1.281 . 1 96 13 13 ALA C C 176.038 . 1 97 13 13 ALA CA C 54.958 . 1 98 13 13 ALA CB C 18.610 . 1 99 13 13 ALA N N 122.495 . 1 100 14 14 GLU H H 8.235 . 1 101 14 14 GLU HA H 3.572 . 1 102 14 14 GLU HB2 H 1.988 . 2 103 14 14 GLU HG2 H 2.656 . 2 104 14 14 GLU C C 175.647 . 1 105 14 14 GLU CA C 60.515 . 1 106 14 14 GLU CB C 28.718 . 1 107 14 14 GLU CG C 37.322 . 1 108 14 14 GLU N N 116.038 . 1 109 15 15 CYS H H 7.811 . 1 110 15 15 CYS HA H 3.879 . 1 111 15 15 CYS HB2 H 2.690 . 2 112 15 15 CYS C C 174.220 . 1 113 15 15 CYS CA C 63.574 . 1 114 15 15 CYS CB C 26.450 . 1 115 15 15 CYS N N 115.112 . 1 116 16 16 ALA H H 7.700 . 1 117 16 16 ALA HA H 3.893 . 1 118 16 16 ALA HB H 1.126 . 1 119 16 16 ALA C C 177.084 . 1 120 16 16 ALA CA C 55.404 . 1 121 16 16 ALA CB C 17.624 . 1 122 16 16 ALA N N 121.886 . 1 123 17 17 LEU H H 8.063 . 1 124 17 17 LEU HA H 3.551 . 1 125 17 17 LEU HB2 H 1.039 . 2 126 17 17 LEU HB3 H 1.687 . 2 127 17 17 LEU HG H 1.479 . 1 128 17 17 LEU HD1 H 0.302 . 2 129 17 17 LEU HD2 H 0.556 . 2 130 17 17 LEU C C 177.329 . 1 131 17 17 LEU CA C 57.936 . 1 132 17 17 LEU CB C 41.326 . 1 133 17 17 LEU CG C 26.542 . 1 134 17 17 LEU CD1 C 24.971 . 1 135 17 17 LEU CD2 C 23.119 . 1 136 17 17 LEU N N 116.930 . 1 137 18 18 ASN H H 8.390 . 1 138 18 18 ASN HA H 4.190 . 1 139 18 18 ASN HB2 H 2.840 . 2 140 18 18 ASN C C 175.422 . 1 141 18 18 ASN CA C 55.277 . 1 142 18 18 ASN CB C 37.409 . 1 143 18 18 ASN N N 116.922 . 1 144 19 19 GLU H H 8.236 . 1 145 19 19 GLU HA H 4.020 . 1 146 19 19 GLU HB2 H 1.984 . 2 147 19 19 GLU HG2 H 2.130 . 2 148 19 19 GLU HG3 H 2.333 . 2 149 19 19 GLU C C 176.055 . 1 150 19 19 GLU CA C 58.923 . 1 151 19 19 GLU CB C 30.635 . 1 152 19 19 GLU CG C 36.626 . 1 153 19 19 GLU N N 119.000 . 1 154 20 20 ARG H H 7.876 . 1 155 20 20 ARG HA H 4.578 . 1 156 20 20 ARG HB2 H 1.436 . 2 157 20 20 ARG HB3 H 1.710 . 2 158 20 20 ARG C C 174.123 . 1 159 20 20 ARG CA C 55.879 . 1 160 20 20 ARG CB C 32.635 . 1 161 20 20 ARG CG C 27.077 . 1 162 20 20 ARG CD C 43.573 . 1 163 20 20 ARG N N 112.475 . 1 164 21 21 GLY H H 7.791 . 1 165 21 21 GLY HA2 H 3.450 . 2 166 21 21 GLY HA3 H 4.677 . 2 167 21 21 GLY C C 171.287 . 1 168 21 21 GLY CA C 45.468 . 1 169 21 21 GLY N N 109.226 . 1 170 22 22 VAL H H 8.930 . 1 171 22 22 VAL HA H 4.304 . 1 172 22 22 VAL HB H 2.037 . 1 173 22 22 VAL HG1 H 0.823 . 2 174 22 22 VAL HG2 H 0.758 . 2 175 22 22 VAL C C 172.542 . 1 176 22 22 VAL CA C 59.645 . 1 177 22 22 VAL CB C 34.484 . 1 178 22 22 VAL CG1 C 21.345 . 1 179 22 22 VAL CG2 C 19.504 . 1 180 22 22 VAL N N 119.367 . 1 181 23 23 GLU H H 8.410 . 1 182 23 23 GLU HA H 4.082 . 1 183 23 23 GLU HB2 H 1.580 . 2 184 23 23 GLU C C 175.447 . 1 185 23 23 GLU CA C 59.505 . 1 186 23 23 GLU CB C 36.371 . 1 187 23 23 GLU CG C 36.371 . 1 188 23 23 GLU N N 121.044 . 1 189 24 24 GLY H H 8.584 . 1 190 24 24 GLY HA2 H 4.456 . 2 191 24 24 GLY HA3 H 3.800 . 2 192 24 24 GLY C C 171.710 . 1 193 24 24 GLY CA C 45.484 . 1 194 24 24 GLY N N 115.061 . 1 195 25 25 ASP H H 8.600 . 1 196 25 25 ASP HA H 6.046 . 1 197 25 25 ASP HB2 H 2.158 . 2 198 25 25 ASP HB3 H 2.738 . 2 199 25 25 ASP C C 174.091 . 1 200 25 25 ASP CA C 53.940 . 1 201 25 25 ASP CB C 41.487 . 1 202 25 25 ASP N N 124.663 . 1 203 26 26 PHE H H 8.405 . 1 204 26 26 PHE HA H 5.917 . 1 205 26 26 PHE HB2 H 2.822 . 2 206 26 26 PHE HB3 H 2.746 . 2 207 26 26 PHE C C 169.753 . 1 208 26 26 PHE CA C 55.039 . 1 209 26 26 PHE CB C 45.206 . 1 210 26 26 PHE N N 114.874 . 1 211 27 27 LEU H H 9.009 . 1 212 27 27 LEU HA H 4.789 . 1 213 27 27 LEU HB2 H 1.170 . 2 214 27 27 LEU HB3 H 1.315 . 2 215 27 27 LEU HG H 1.480 . 1 216 27 27 LEU HD1 H 0.449 . 2 217 27 27 LEU HD2 H 0.147 . 2 218 27 27 LEU C C 172.032 . 1 219 27 27 LEU CA C 54.043 . 1 220 27 27 LEU CB C 45.895 . 1 221 27 27 LEU CG C 25.254 . 1 222 27 27 LEU CD1 C 25.445 . 1 223 27 27 LEU CD2 C 26.811 . 1 224 27 27 LEU N N 115.101 . 1 225 28 28 ILE H H 9.363 . 1 226 28 28 ILE HA H 5.329 . 1 227 28 28 ILE HB H 2.271 . 1 228 28 28 ILE HG12 H 1.194 . 1 229 28 28 ILE HG13 H 1.602 . 1 230 28 28 ILE HG2 H 0.960 . 2 231 28 28 ILE HD1 H 0.395 . 1 232 28 28 ILE C C 171.353 . 1 233 28 28 ILE CA C 60.600 . 1 234 28 28 ILE CB C 38.645 . 1 235 28 28 ILE CG1 C 29.622 . 2 236 28 28 ILE CG2 C 18.104 . 1 237 28 28 ILE CD1 C 12.866 . 1 238 28 28 ILE N N 121.081 . 1 239 29 29 ARG H H 9.255 . 1 240 29 29 ARG HA H 5.450 . 1 241 29 29 ARG HB2 H 2.240 . 2 242 29 29 ARG HB3 H 1.222 . 2 243 29 29 ARG HG2 H 1.629 . 2 244 29 29 ARG HG3 H 1.406 . 2 245 29 29 ARG HD2 H 3.175 . 2 246 29 29 ARG HD3 H 2.298 . 2 247 29 29 ARG C C 171.851 . 1 248 29 29 ARG CA C 52.504 . 1 249 29 29 ARG CB C 34.724 . 1 250 29 29 ARG CG C 26.582 . 1 251 29 29 ARG CD C 43.887 . 1 252 29 29 ARG N N 123.913 . 1 253 30 30 ASP H H 8.480 . 1 254 30 30 ASP HA H 4.610 . 1 255 30 30 ASP HB2 H 2.322 . 2 256 30 30 ASP HB3 H 2.684 . 2 257 30 30 ASP C C 173.733 . 1 258 30 30 ASP CA C 54.706 . 1 259 30 30 ASP CB C 40.424 . 1 260 30 30 ASP N N 123.103 . 1 261 31 31 SER H H 7.857 . 1 262 31 31 SER HA H 4.344 . 1 263 31 31 SER HB2 H 3.735 . 2 264 31 31 SER HB3 H 3.458 . 2 265 31 31 SER C C 173.474 . 1 266 31 31 SER CA C 57.539 . 1 267 31 31 SER CB C 63.785 . 1 268 31 31 SER N N 116.084 . 1 269 32 32 GLU H H 9.536 . 1 270 32 32 GLU HA H 4.038 . 1 271 32 32 GLU HB2 H 2.013 . 2 272 32 32 GLU C C 175.359 . 1 273 32 32 GLU CA C 58.178 . 1 274 32 32 GLU CB C 30.495 . 1 275 32 32 GLU CG C 37.061 . 1 276 32 32 GLU N N 127.831 . 1 277 33 33 SER H H 8.267 . 1 278 33 33 SER HA H 4.211 . 1 279 33 33 SER HB2 H 3.711 . 2 280 33 33 SER C C 172.585 . 1 281 33 33 SER CA C 59.493 . 1 282 33 33 SER CB C 63.841 . 1 283 33 33 SER N N 112.882 . 1 284 34 34 SER H H 7.355 . 1 285 34 34 SER HA H 4.800 . 1 286 34 34 SER HB2 H 3.730 . 2 287 34 34 SER HB3 H 3.642 . 2 288 34 34 SER CA C 54.676 . 1 289 34 34 SER CB C 64.010 . 1 290 34 34 SER N N 116.671 . 1 291 35 35 PRO HA H 4.060 . 1 292 35 35 PRO HB2 H 1.930 . 2 293 35 35 PRO HB3 H 1.626 . 2 294 35 35 PRO HG2 H 1.460 . 2 295 35 35 PRO HD2 H 3.620 . 2 296 35 35 PRO HD3 H 3.417 . 2 297 35 35 PRO C C 174.365 . 1 298 35 35 PRO CA C 62.580 . 1 299 35 35 PRO CB C 32.113 . 1 300 35 35 PRO CG C 26.983 . 1 301 35 35 PRO CD C 50.766 . 1 302 36 36 SER H H 8.000 . 1 303 36 36 SER HA H 4.262 . 1 304 36 36 SER HB2 H 3.818 . 2 305 36 36 SER HB3 H 3.992 . 2 306 36 36 SER C C 170.204 . 1 307 36 36 SER CA C 59.880 . 1 308 36 36 SER CB C 63.707 . 1 309 36 36 SER N N 112.413 . 1 310 37 37 ASP H H 7.382 . 1 311 37 37 ASP HA H 5.174 . 1 312 37 37 ASP HB2 H 2.569 . 2 313 37 37 ASP HB3 H 2.898 . 2 314 37 37 ASP C C 172.786 . 1 315 37 37 ASP CA C 53.639 . 1 316 37 37 ASP CB C 43.136 . 1 317 37 37 ASP N N 119.560 . 1 318 38 38 PHE H H 8.911 . 1 319 38 38 PHE HA H 5.293 . 1 320 38 38 PHE HB2 H 2.498 . 2 321 38 38 PHE HB3 H 3.169 . 2 322 38 38 PHE C C 172.704 . 1 323 38 38 PHE CA C 56.733 . 1 324 38 38 PHE CB C 44.099 . 1 325 38 38 PHE N N 116.697 . 1 326 39 39 SER H H 9.440 . 1 327 39 39 SER HA H 5.523 . 1 328 39 39 SER HB2 H 3.348 . 2 329 39 39 SER HB3 H 3.537 . 2 330 39 39 SER C C 170.982 . 1 331 39 39 SER CA C 57.863 . 1 332 39 39 SER CB C 66.091 . 1 333 39 39 SER N N 115.620 . 1 334 40 40 VAL H H 9.301 . 1 335 40 40 VAL HA H 4.676 . 1 336 40 40 VAL HB H 2.053 . 1 337 40 40 VAL HG1 H 0.645 . 2 338 40 40 VAL HG2 H 0.645 . 2 339 40 40 VAL C C 173.484 . 1 340 40 40 VAL CA C 60.992 . 1 341 40 40 VAL CB C 33.395 . 1 342 40 40 VAL CG1 C 21.392 . 1 343 40 40 VAL CG2 C 19.932 . 1 344 40 40 VAL N N 124.980 . 1 345 41 41 SER H H 9.344 . 1 346 41 41 SER HA H 5.201 . 1 347 41 41 SER HB2 H 3.343 . 2 348 41 41 SER C C 168.912 . 1 349 41 41 SER CA C 58.582 . 1 350 41 41 SER CB C 65.354 . 1 351 41 41 SER N N 124.447 . 1 352 42 42 LEU H H 8.940 . 1 353 42 42 LEU HA H 4.959 . 1 354 42 42 LEU HB2 H 0.974 . 2 355 42 42 LEU HB3 H 1.600 . 2 356 42 42 LEU HG H 0.606 . 1 357 42 42 LEU HD1 H 0.743 . 2 358 42 42 LEU C C 172.036 . 1 359 42 42 LEU CA C 53.138 . 1 360 42 42 LEU CB C 48.805 . 1 361 42 42 LEU CG C 27.480 . 1 362 42 42 LEU CD1 C 24.230 . 1 363 42 42 LEU N N 126.688 . 1 364 43 43 LYS H H 8.826 . 1 365 43 43 LYS HA H 4.655 . 1 366 43 43 LYS HB2 H 2.121 . 2 367 43 43 LYS C C 172.541 . 1 368 43 43 LYS CA C 55.824 . 1 369 43 43 LYS CB C 32.671 . 1 370 43 43 LYS CG C 25.313 . 1 371 43 43 LYS CD C 29.088 . 1 372 43 43 LYS CE C 42.764 . 1 373 43 43 LYS N N 121.507 . 1 374 44 44 ALA H H 8.410 . 1 375 44 44 ALA HA H 4.710 . 1 376 44 44 ALA HB H 1.231 . 1 377 44 44 ALA C C 173.298 . 1 378 44 44 ALA CA C 50.972 . 1 379 44 44 ALA CB C 22.005 . 1 380 44 44 ALA N N 133.060 . 1 381 45 45 SER H H 9.140 . 1 382 45 45 SER HA H 4.024 . 1 383 45 45 SER HB2 H 3.738 . 2 384 45 45 SER HB3 H 3.840 . 2 385 45 45 SER C C 173.537 . 1 386 45 45 SER CA C 59.084 . 1 387 45 45 SER CB C 62.387 . 1 388 45 45 SER N N 117.530 . 1 389 46 46 GLY H H 8.844 . 1 390 46 46 GLY HA2 H 4.054 . 2 391 46 46 GLY HA3 H 3.470 . 2 392 46 46 GLY C C 171.076 . 1 393 46 46 GLY CA C 46.094 . 1 394 46 46 GLY N N 112.843 . 1 395 47 47 LYS H H 7.456 . 1 396 47 47 LYS HA H 4.321 . 1 397 47 47 LYS HB2 H 1.562 . 2 398 47 47 LYS HB3 H 1.754 . 2 399 47 47 LYS HG2 H 1.195 . 2 400 47 47 LYS HD2 H 1.543 . 2 401 47 47 LYS HE2 H 2.842 . 2 402 47 47 LYS C C 171.703 . 1 403 47 47 LYS CA C 55.142 . 1 404 47 47 LYS CB C 34.625 . 1 405 47 47 LYS CG C 23.977 . 1 406 47 47 LYS CD C 29.161 . 1 407 47 47 LYS CE C 42.062 . 1 408 47 47 LYS N N 119.692 . 1 409 48 48 ASN H H 8.505 . 1 410 48 48 ASN HA H 5.012 . 1 411 48 48 ASN HB2 H 1.880 . 2 412 48 48 ASN HB3 H 2.461 . 2 413 48 48 ASN C C 172.115 . 1 414 48 48 ASN CA C 53.088 . 1 415 48 48 ASN CB C 39.186 . 1 416 48 48 ASN N N 118.152 . 1 417 49 49 LYS H H 8.540 . 1 418 49 49 LYS HA H 4.117 . 1 419 49 49 LYS HB2 H 1.017 . 2 420 49 49 LYS HG2 H 0.861 . 2 421 49 49 LYS HD2 H 0.961 . 2 422 49 49 LYS HE2 H 1.813 . 2 423 49 49 LYS C C 170.922 . 1 424 49 49 LYS CA C 53.856 . 1 425 49 49 LYS CB C 36.045 . 1 426 49 49 LYS CG C 24.319 . 1 427 49 49 LYS CD C 28.121 . 1 428 49 49 LYS CE C 40.883 . 1 429 49 49 LYS N N 120.425 . 1 430 49 49 LYS NZ N 1.950 . 1 431 50 50 HIS H H 7.745 . 1 432 50 50 HIS HA H 5.375 . 1 433 50 50 HIS HB2 H 2.494 . 2 434 50 50 HIS HB3 H 2.570 . 2 435 50 50 HIS C C 172.853 . 1 436 50 50 HIS CA C 54.047 . 1 437 50 50 HIS CB C 33.660 . 1 438 50 50 HIS N N 117.929 . 1 439 51 51 PHE H H 9.380 . 1 440 51 51 PHE HA H 4.706 . 1 441 51 51 PHE HB2 H 2.494 . 2 442 51 51 PHE C C 172.382 . 1 443 51 51 PHE CA C 56.264 . 1 444 51 51 PHE CB C 41.568 . 1 445 51 51 PHE N N 121.637 . 1 446 52 52 LYS H H 8.664 . 1 447 52 52 LYS HA H 4.623 . 1 448 52 52 LYS HB2 H 1.763 . 2 449 52 52 LYS HG2 H 1.444 . 2 450 52 52 LYS HG3 H 1.336 . 2 451 52 52 LYS HD2 H 1.686 . 2 452 52 52 LYS HD3 H 1.597 . 2 453 52 52 LYS HE2 H 2.856 . 2 454 52 52 LYS C C 173.283 . 1 455 52 52 LYS CA C 57.187 . 1 456 52 52 LYS CB C 32.955 . 1 457 52 52 LYS CG C 24.535 . 1 458 52 52 LYS CD C 28.528 . 1 459 52 52 LYS CE C 41.475 . 1 460 52 52 LYS N N 125.000 . 1 461 53 53 VAL H H 8.896 . 1 462 53 53 VAL HA H 4.548 . 1 463 53 53 VAL HB H 1.900 . 1 464 53 53 VAL HG1 H 0.860 . 2 465 53 53 VAL HG2 H 0.760 . 2 466 53 53 VAL C C 172.750 . 1 467 53 53 VAL CA C 60.938 . 1 468 53 53 VAL CB C 34.500 . 1 469 53 53 VAL CG1 C 22.395 . 1 470 53 53 VAL CG2 C 21.482 . 1 471 53 53 VAL N N 125.773 . 1 472 54 54 GLN H H 8.709 . 1 473 54 54 GLN HA H 4.856 . 1 474 54 54 GLN HB2 H 1.779 . 2 475 54 54 GLN HG2 H 2.226 . 2 476 54 54 GLN C C 172.592 . 1 477 54 54 GLN CA C 54.608 . 1 478 54 54 GLN CB C 32.820 . 1 479 54 54 GLN CG C 34.819 . 1 480 54 54 GLN N N 124.665 . 1 481 55 55 LEU H H 8.728 . 1 482 55 55 LEU HA H 4.744 . 1 483 55 55 LEU HB2 H 1.867 . 2 484 55 55 LEU HG H 1.070 . 1 485 55 55 LEU HD1 H 0.705 . 2 486 55 55 LEU HD2 H -0.065 . 2 487 55 55 LEU C C 173.650 . 1 488 55 55 LEU CA C 54.471 . 1 489 55 55 LEU CB C 42.264 . 1 490 55 55 LEU CG C 27.363 . 1 491 55 55 LEU CD1 C 25.944 . 1 492 55 55 LEU CD2 C 21.624 . 1 493 55 55 LEU N N 127.616 . 1 494 56 56 VAL H H 8.844 . 1 495 56 56 VAL HA H 4.042 . 1 496 56 56 VAL HB H 1.817 . 1 497 56 56 VAL HG1 H 0.699 . 2 498 56 56 VAL HG2 H 0.699 . 2 499 56 56 VAL C C 172.969 . 1 500 56 56 VAL CA C 61.291 . 1 501 56 56 VAL CB C 34.350 . 1 502 56 56 VAL CG1 C 20.770 . 1 503 56 56 VAL CG2 C 20.770 . 1 504 56 56 VAL N N 129.263 . 1 505 57 57 ASP H H 9.082 . 1 506 57 57 ASP HA H 3.994 . 1 507 57 57 ASP HB2 H 2.448 . 2 508 57 57 ASP HB3 H 2.718 . 2 509 57 57 ASP C C 169.189 . 1 510 57 57 ASP CA C 55.780 . 1 511 57 57 ASP CB C 39.366 . 1 512 57 57 ASP N N 126.825 . 1 513 58 58 ASN H H 8.398 . 1 514 58 58 ASN HA H 3.940 . 1 515 58 58 ASN HB2 H 2.886 . 2 516 58 58 ASN C C 171.257 . 1 517 58 58 ASN CA C 54.886 . 1 518 58 58 ASN CB C 38.338 . 1 519 58 58 ASN N N 108.057 . 1 520 59 59 VAL H H 7.706 . 1 521 59 59 VAL HA H 4.309 . 1 522 59 59 VAL HB H 1.797 . 1 523 59 59 VAL HG1 H 0.582 . 2 524 59 59 VAL HG2 H 0.666 . 2 525 59 59 VAL C C 171.031 . 1 526 59 59 VAL CA C 60.461 . 1 527 59 59 VAL CB C 34.755 . 1 528 59 59 VAL CG1 C 22.349 . 1 529 59 59 VAL CG2 C 20.015 . 1 530 59 59 VAL N N 116.609 . 1 531 60 60 TYR H H 8.864 . 1 532 60 60 TYR HA H 4.607 . 1 533 60 60 TYR HB2 H 2.450 . 2 534 60 60 TYR HB3 H 2.680 . 2 535 60 60 TYR C C 173.782 . 1 536 60 60 TYR CA C 58.500 . 1 537 60 60 TYR CB C 38.934 . 1 538 60 60 TYR N N 121.824 . 1 539 61 61 CYS H H 9.441 . 1 540 61 61 CYS HA H 5.278 . 1 541 61 61 CYS HB2 H 2.795 . 2 542 61 61 CYS C C 171.920 . 1 543 61 61 CYS CA C 58.372 . 1 544 61 61 CYS CB C 30.297 . 1 545 61 61 CYS N N 121.797 . 1 546 62 62 ILE H H 8.226 . 1 547 62 62 ILE HA H 4.617 . 1 548 62 62 ILE HB H 1.962 . 1 549 62 62 ILE HG12 H 0.991 . 1 550 62 62 ILE HG13 H 1.164 . 1 551 62 62 ILE HG2 H 1.664 . 2 552 62 62 ILE HD1 H 0.490 . 1 553 62 62 ILE C C 172.595 . 1 554 62 62 ILE CA C 59.950 . 1 555 62 62 ILE CB C 39.760 . 1 556 62 62 ILE CG1 C 28.044 . 2 557 62 62 ILE CG2 C 16.091 . 1 558 62 62 ILE CD1 C 13.638 . 1 559 62 62 ILE N N 123.198 . 1 560 63 63 GLY H H 9.010 . 1 561 63 63 GLY HA2 H 3.846 . 2 562 63 63 GLY HA3 H 3.728 . 2 563 63 63 GLY C C 47.270 . 1 564 63 63 GLY CA C 47.270 . 1 565 63 63 GLY N N 117.197 . 1 566 66 66 ARG H H 7.660 . 1 567 66 66 ARG HA H 4.885 . 1 568 66 66 ARG HB2 H 1.280 . 2 569 66 66 ARG HG2 H 1.279 . 2 570 66 66 ARG HG3 H 1.380 . 2 571 66 66 ARG HD2 H 2.930 . 2 572 66 66 ARG C C 172.871 . 1 573 66 66 ARG CA C 54.694 . 1 574 66 66 ARG CB C 33.306 . 1 575 66 66 ARG CG C 27.318 . 1 576 66 66 ARG CD C 43.760 . 1 577 66 66 ARG N N 120.619 . 1 578 67 67 PHE H H 9.212 . 1 579 67 67 PHE HA H 4.684 . 1 580 67 67 PHE HB2 H 2.563 . 2 581 67 67 PHE HB3 H 3.237 . 2 582 67 67 PHE C C 173.110 . 1 583 67 67 PHE CA C 56.873 . 1 584 67 67 PHE CB C 43.423 . 1 585 67 67 PHE N N 119.722 . 1 586 68 68 HIS H H 9.575 . 1 587 68 68 HIS HA H 4.555 . 1 588 68 68 HIS HB2 H 3.367 . 2 589 68 68 HIS C C 172.854 . 1 590 68 68 HIS CA C 59.379 . 1 591 68 68 HIS CB C 30.054 . 1 592 68 68 HIS N N 120.190 . 1 593 69 69 THR H H 7.298 . 1 594 69 69 THR HA H 4.686 . 1 595 69 69 THR HB H 4.770 . 1 596 69 69 THR HG2 H 1.217 . 1 597 69 69 THR C C 171.731 . 1 598 69 69 THR CA C 58.956 . 1 599 69 69 THR CB C 73.581 . 1 600 69 69 THR CG2 C 29.600 . 1 601 69 69 THR N N 102.998 . 1 602 70 70 MET H H 8.600 . 1 603 70 70 MET HA H 3.641 . 1 604 70 70 MET HB2 H 1.570 . 2 605 70 70 MET HB3 H 1.480 . 2 606 70 70 MET HG2 H 2.280 . 2 607 70 70 MET C C 175.227 . 1 608 70 70 MET CA C 56.078 . 1 609 70 70 MET CB C 32.736 . 1 610 70 70 MET CG C 31.067 . 1 611 70 70 MET N N 120.378 . 1 612 71 71 ASP H H 7.930 . 1 613 71 71 ASP HA H 4.116 . 1 614 71 71 ASP HB2 H 2.500 . 2 615 71 71 ASP HB3 H 2.612 . 2 616 71 71 ASP C C 175.777 . 1 617 71 71 ASP CA C 57.285 . 1 618 71 71 ASP CB C 40.656 . 1 619 71 71 ASP N N 116.500 . 1 620 72 72 GLU H H 7.693 . 1 621 72 72 GLU HA H 3.756 . 1 622 72 72 GLU HB2 H 2.173 . 2 623 72 72 GLU HG2 H 2.281 . 2 624 72 72 GLU HG3 H 2.350 . 2 625 72 72 GLU C C 175.802 . 1 626 72 72 GLU CA C 58.961 . 1 627 72 72 GLU CB C 30.887 . 1 628 72 72 GLU CG C 37.264 . 1 629 72 72 GLU N N 118.442 . 1 630 73 73 LEU H H 6.585 . 1 631 73 73 LEU HA H 1.880 . 1 632 73 73 LEU HB2 H 0.756 . 2 633 73 73 LEU HB3 H 1.483 . 2 634 73 73 LEU HG H 0.682 . 1 635 73 73 LEU HD1 H 0.295 . 2 636 73 73 LEU HD2 H 1.057 . 2 637 73 73 LEU C C 174.775 . 1 638 73 73 LEU CA C 58.918 . 1 639 73 73 LEU CB C 41.872 . 1 640 73 73 LEU CG C 29.346 . 1 641 73 73 LEU CD1 C 23.000 . 1 642 73 73 LEU CD2 C 27.425 . 1 643 73 73 LEU N N 122.996 . 1 644 74 74 VAL H H 7.600 . 1 645 74 74 VAL HA H 2.690 . 1 646 74 74 VAL HB H 1.499 . 1 647 74 74 VAL HG1 H 0.301 . 2 648 74 74 VAL HG2 H -0.299 . 2 649 74 74 VAL C C 174.597 . 1 650 74 74 VAL CA C 66.421 . 1 651 74 74 VAL CB C 31.389 . 1 652 74 74 VAL CG1 C 21.499 . 1 653 74 74 VAL CG2 C 22.400 . 1 654 74 74 VAL N N 118.422 . 1 655 75 75 GLU H H 7.535 . 1 656 75 75 GLU HA H 3.667 . 1 657 75 75 GLU HB2 H 1.839 . 2 658 75 75 GLU C C 177.425 . 1 659 75 75 GLU CA C 58.709 . 1 660 75 75 GLU CB C 29.284 . 1 661 75 75 GLU CG C 36.045 . 1 662 75 75 GLU N N 114.655 . 1 663 76 76 HIS H H 7.821 . 1 664 76 76 HIS HA H 3.930 . 1 665 76 76 HIS HB2 H 2.860 . 2 666 76 76 HIS HB3 H 2.650 . 2 667 76 76 HIS C C 175.938 . 1 668 76 76 HIS CA C 60.252 . 1 669 76 76 HIS CB C 30.718 . 1 670 76 76 HIS N N 118.497 . 1 671 77 77 TYR H H 7.269 . 1 672 77 77 TYR HA H 5.284 . 1 673 77 77 TYR HB2 H 2.123 . 2 674 77 77 TYR HB3 H 3.185 . 2 675 77 77 TYR C C 172.453 . 1 676 77 77 TYR CA C 60.187 . 1 677 77 77 TYR CB C 37.067 . 1 678 77 77 TYR N N 114.655 . 1 679 78 78 LYS H H 7.062 . 1 680 78 78 LYS HA H 4.850 . 1 681 78 78 LYS HB2 H 1.751 . 2 682 78 78 LYS HG2 H 1.180 . 2 683 78 78 LYS HG3 H 1.558 . 2 684 78 78 LYS HD2 H 1.527 . 2 685 78 78 LYS HE2 H 2.728 . 2 686 78 78 LYS HE3 H 2.589 . 2 687 78 78 LYS C C 176.518 . 1 688 78 78 LYS CA C 57.587 . 1 689 78 78 LYS CB C 33.973 . 1 690 78 78 LYS CG C 25.073 . 1 691 78 78 LYS CD C 30.177 . 1 692 78 78 LYS CE C 42.155 . 1 693 78 78 LYS N N 116.333 . 1 694 79 79 LYS H H 6.997 . 1 695 79 79 LYS HA H 4.185 . 1 696 79 79 LYS HB2 H 1.503 . 2 697 79 79 LYS HB3 H 1.629 . 2 698 79 79 LYS HG2 H 1.225 . 2 699 79 79 LYS HD2 H 1.503 . 2 700 79 79 LYS HE2 H 2.818 . 2 701 79 79 LYS C C 172.225 . 1 702 79 79 LYS CA C 55.912 . 1 703 79 79 LYS CB C 34.531 . 1 704 79 79 LYS CG C 24.793 . 1 705 79 79 LYS CD C 28.875 . 1 706 79 79 LYS CE C 42.107 . 1 707 79 79 LYS N N 115.394 . 1 708 80 80 ALA H H 8.021 . 1 709 80 80 ALA HA H 4.706 . 1 710 80 80 ALA HB H 0.722 . 1 711 80 80 ALA CA C 48.767 . 1 712 80 80 ALA CB C 19.270 . 1 713 80 80 ALA N N 126.539 . 1 714 81 81 PRO HA H 3.560 . 1 715 81 81 PRO HB2 H 1.408 . 2 716 81 81 PRO HB3 H 1.064 . 2 717 81 81 PRO HG2 H 1.780 . 2 718 81 81 PRO HD2 H 3.500 . 2 719 81 81 PRO C C 175.916 . 1 720 81 81 PRO CA C 62.600 . 1 721 81 81 PRO CB C 31.494 . 1 722 81 81 PRO CG C 27.557 . 1 723 81 81 PRO CD C 49.313 . 1 724 82 82 ILE H H 8.320 . 1 725 82 82 ILE HA H 3.796 . 1 726 82 82 ILE HB H 0.830 . 1 727 82 82 ILE HG12 H -0.382 . 1 728 82 82 ILE HG13 H -0.232 . 1 729 82 82 ILE HG2 H -0.012 . 2 730 82 82 ILE HD1 H -0.456 . 1 731 82 82 ILE C C 170.677 . 1 732 82 82 ILE CA C 60.995 . 1 733 82 82 ILE CB C 39.759 . 1 734 82 82 ILE CG1 C 28.560 . 2 735 82 82 ILE CG2 C 13.813 . 1 736 82 82 ILE CD1 C 13.813 . 1 737 82 82 ILE N N 123.740 . 1 738 83 83 PHE H H 7.057 . 1 739 83 83 PHE HA H 4.389 . 1 740 83 83 PHE HB2 H 2.279 . 2 741 83 83 PHE HB3 H 3.090 . 2 742 83 83 PHE C C 170.177 . 1 743 83 83 PHE CA C 57.754 . 1 744 83 83 PHE CB C 43.601 . 1 745 83 83 PHE N N 120.248 . 1 746 84 84 THR H H 7.251 . 1 747 84 84 THR HA H 4.785 . 1 748 84 84 THR HB H 3.491 . 1 749 84 84 THR HG2 H 0.854 . 1 750 84 84 THR C C 170.838 . 1 751 84 84 THR CA C 60.630 . 1 752 84 84 THR CB C 70.457 . 1 753 84 84 THR CG2 C 20.493 . 1 754 84 84 THR N N 122.163 . 1 755 85 85 SER H H 8.859 . 1 756 85 85 SER HA H 4.247 . 1 757 85 85 SER HB2 H 4.000 . 2 758 85 85 SER HB3 H 4.410 . 2 759 85 85 SER CA C 56.857 . 1 760 85 85 SER CB C 65.945 . 1 761 85 85 SER N N 121.213 . 1 762 87 87 HIS H H 8.328 . 1 763 87 87 HIS HA H 4.220 . 1 764 87 87 HIS HB2 H 1.913 . 2 765 87 87 HIS HB3 H 1.240 . 2 766 87 87 HIS C C 173.008 . 1 767 87 87 HIS CA C 55.202 . 1 768 87 87 HIS CB C 30.688 . 1 769 87 87 HIS N N 120.126 . 1 770 88 88 GLY H H 7.780 . 1 771 88 88 GLY HA2 H 4.053 . 2 772 88 88 GLY HA3 H 3.349 . 2 773 88 88 GLY C C 171.860 . 1 774 88 88 GLY CA C 45.412 . 1 775 88 88 GLY N N 107.910 . 1 776 89 89 GLU H H 7.728 . 1 777 89 89 GLU HA H 4.415 . 1 778 89 89 GLU HB2 H 1.840 . 2 779 89 89 GLU HG2 H 1.949 . 2 780 89 89 GLU HG3 H 2.066 . 2 781 89 89 GLU C C 173.382 . 1 782 89 89 GLU CA C 56.695 . 1 783 89 89 GLU CB C 29.873 . 1 784 89 89 GLU CG C 36.342 . 1 785 89 89 GLU N N 120.220 . 1 786 90 90 LYS H H 8.542 . 1 787 90 90 LYS HA H 4.550 . 1 788 90 90 LYS HB2 H 1.150 . 2 789 90 90 LYS HB3 H 1.654 . 2 790 90 90 LYS HG2 H 1.356 . 2 791 90 90 LYS HG3 H 1.255 . 2 792 90 90 LYS HD2 H 1.544 . 2 793 90 90 LYS HE2 H 2.896 . 2 794 90 90 LYS C C 172.322 . 1 795 90 90 LYS CA C 56.308 . 1 796 90 90 LYS CB C 34.856 . 1 797 90 90 LYS CG C 25.505 . 1 798 90 90 LYS CD C 29.850 . 1 799 90 90 LYS CE C 42.095 . 1 800 90 90 LYS N N 125.769 . 1 801 91 91 LEU H H 8.449 . 1 802 91 91 LEU HA H 4.637 . 1 803 91 91 LEU HB2 H 1.368 . 2 804 91 91 LEU HB3 H 1.537 . 2 805 91 91 LEU HG H 1.639 . 1 806 91 91 LEU HD1 H 0.766 . 2 807 91 91 LEU HD2 H 0.836 . 2 808 91 91 LEU C C 172.212 . 1 809 91 91 LEU CA C 53.897 . 1 810 91 91 LEU CB C 43.476 . 1 811 91 91 LEU CG C 27.271 . 1 812 91 91 LEU CD1 C 25.586 . 1 813 91 91 LEU CD2 C 22.944 . 1 814 91 91 LEU N N 121.438 . 1 815 92 92 TYR H H 7.966 . 1 816 92 92 TYR HA H 4.492 . 1 817 92 92 TYR HB2 H 2.209 . 2 818 92 92 TYR HB3 H 2.950 . 2 819 92 92 TYR C C 173.216 . 1 820 92 92 TYR CA C 56.370 . 1 821 92 92 TYR CB C 41.698 . 1 822 92 92 TYR N N 119.120 . 1 823 93 93 LEU H H 7.968 . 1 824 93 93 LEU HA H 3.860 . 1 825 93 93 LEU HB2 H 0.942 . 2 826 93 93 LEU HB3 H 0.022 . 2 827 93 93 LEU HG H 1.029 . 1 828 93 93 LEU HD1 H -0.110 . 2 829 93 93 LEU HD2 H 0.013 . 2 830 93 93 LEU C C 174.020 . 1 831 93 93 LEU CA C 54.682 . 1 832 93 93 LEU CB C 38.545 . 1 833 93 93 LEU CG C 25.930 . 1 834 93 93 LEU CD1 C 24.936 . 1 835 93 93 LEU CD2 C 21.680 . 1 836 93 93 LEU N N 117.470 . 1 837 94 94 VAL H H 8.446 . 1 838 94 94 VAL HA H 3.946 . 1 839 94 94 VAL HB H 2.120 . 1 840 94 94 VAL HG1 H 0.898 . 2 841 94 94 VAL HG2 H 0.820 . 2 842 94 94 VAL C C 173.999 . 1 843 94 94 VAL CA C 65.527 . 1 844 94 94 VAL CB C 32.441 . 1 845 94 94 VAL CG1 C 21.880 . 1 846 94 94 VAL CG2 C 21.880 . 1 847 94 94 VAL N N 122.368 . 1 848 95 95 ARG H H 7.547 . 1 849 95 95 ARG HA H 4.518 . 1 850 95 95 ARG HB2 H 1.583 . 2 851 95 95 ARG HB3 H 2.033 . 2 852 95 95 ARG HG2 H 1.534 . 2 853 95 95 ARG HG3 H 1.666 . 2 854 95 95 ARG HD2 H 3.100 . 2 855 95 95 ARG HD3 H 2.890 . 2 856 95 95 ARG C C 170.068 . 1 857 95 95 ARG CA C 55.109 . 1 858 95 95 ARG CB C 33.846 . 1 859 95 95 ARG CG C 25.856 . 1 860 95 95 ARG CD C 43.796 . 1 861 95 95 ARG N N 117.912 . 1 862 96 96 ALA H H 8.417 . 1 863 96 96 ALA HA H 3.358 . 1 864 96 96 ALA HB H 1.000 . 1 865 96 96 ALA C C 174.966 . 1 866 96 96 ALA CA C 51.169 . 1 867 96 96 ALA CB C 18.636 . 1 868 96 96 ALA N N 126.443 . 1 869 97 97 LEU H H 8.330 . 1 870 97 97 LEU HA H 3.796 . 1 871 97 97 LEU HB2 H 0.774 . 2 872 97 97 LEU HB3 H 1.400 . 2 873 97 97 LEU HG H 1.563 . 1 874 97 97 LEU HD1 H 0.341 . 2 875 97 97 LEU HD2 H 0.767 . 2 876 97 97 LEU C C 172.602 . 1 877 97 97 LEU CA C 56.124 . 1 878 97 97 LEU CB C 42.539 . 1 879 97 97 LEU CG C 26.615 . 1 880 97 97 LEU CD1 C 26.990 . 1 881 97 97 LEU CD2 C 24.428 . 1 882 97 97 LEU N N 123.500 . 1 883 98 98 GLN H H 8.465 . 1 884 98 98 GLN HA H 4.049 . 1 885 98 98 GLN HB2 H 2.206 . 2 886 98 98 GLN HB3 H 1.822 . 2 887 98 98 GLN CA C 57.280 . 1 888 98 98 GLN CB C 30.566 . 1 889 98 98 GLN N N 134.930 . 1 stop_ save_