data_6240 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of At5g66040, a putative protein from Arabidopsis Thaliana ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cornilescu Claudia C. . 2 Cornilescu Gabriel . . 3 Singh Shanteri . . 4 Lee Min S. . 5 Tyler Ejan M. . 6 Shahan Mark N. . 7 Vinarov Dmitriy . . 8 Markley John L. . stop_ _BMRB_accession_number 6240 _BMRB_flat_file_name bmr6240.str _Entry_type new _Submission_date 2004-06-15 _Accession_date 2004-06-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 494 '15N chemical shifts' 106 '13C chemical shifts' 413 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of At5g66040, a putative protein from Arabidopsis Thaliana ; _Citation_status 'in preparation' _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cornilescu Claudia C. . 2 Cornilescu Gabriel . . 3 Singh Shanteri . . 4 Lee Min S. . 5 Tyler Ejan M. . 6 Shahan Mark N. . 7 Vinarov Dmitriy . . 8 Markley John L. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "At5g66040" "Center for Eukaryotic Structural Genomics" "Arabidopsis Thaliana" stop_ save_ ################################## # Molecular system description # ################################## save_system_At5g66040 _Saveframe_category molecular_system _Mol_system_name At5g66040 _Abbreviation_common At5g66040 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At5g66040 $At5g66040 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' save_ ######################## # Monomeric polymers # ######################## save_At5g66040 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At5g66040 _Name_variant . _Abbreviation_common At5g66040 _Molecular_mass 13802.3 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; MGHHHHHHLEAEESRVPSSV SVTVAHDLLLAGHRYLDVRT PEEFSQGHACGAINVPYMNR GASGMSKNTDFLEQVSSHFG QSDNIIVGCQSGGRSIKATT DLLHAGFTGVKDIVGGYSAW AKNGLPTKA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 LEU 10 GLU 11 ALA 12 GLU 13 GLU 14 SER 15 ARG 16 VAL 17 PRO 18 SER 19 SER 20 VAL 21 SER 22 VAL 23 THR 24 VAL 25 ALA 26 HIS 27 ASP 28 LEU 29 LEU 30 LEU 31 ALA 32 GLY 33 HIS 34 ARG 35 TYR 36 LEU 37 ASP 38 VAL 39 ARG 40 THR 41 PRO 42 GLU 43 GLU 44 PHE 45 SER 46 GLN 47 GLY 48 HIS 49 ALA 50 CYS 51 GLY 52 ALA 53 ILE 54 ASN 55 VAL 56 PRO 57 TYR 58 MET 59 ASN 60 ARG 61 GLY 62 ALA 63 SER 64 GLY 65 MET 66 SER 67 LYS 68 ASN 69 THR 70 ASP 71 PHE 72 LEU 73 GLU 74 GLN 75 VAL 76 SER 77 SER 78 HIS 79 PHE 80 GLY 81 GLN 82 SER 83 ASP 84 ASN 85 ILE 86 ILE 87 VAL 88 GLY 89 CYS 90 GLN 91 SER 92 GLY 93 GLY 94 ARG 95 SER 96 ILE 97 LYS 98 ALA 99 THR 100 THR 101 ASP 102 LEU 103 LEU 104 HIS 105 ALA 106 GLY 107 PHE 108 THR 109 GLY 110 VAL 111 LYS 112 ASP 113 ILE 114 VAL 115 GLY 116 GLY 117 TYR 118 SER 119 ALA 120 TRP 121 ALA 122 LYS 123 ASN 124 GLY 125 LEU 126 PRO 127 THR 128 LYS 129 ALA stop_ _Sequence_homology_query_date 2004-12-06 _Sequence_homology_query_revised_last_date 2004-11-04 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 1TQ1 "A Chain A, Solution Structure Of At5g66040, APutative Protein From Arabidosis Thaliana" 100.00 129 100 100 8e-72 DBJ BAB10409.1 "senescence-associated protein sen1-likeprotein; ketoconazole resistance protein-like[Arabidopsis thaliana]" 107.50 120 99 99 3e-63 GenBank AAK83644.1 "AT5g66040/K2A18_11 [Arabidopsisthaliana]" 107.50 120 99 99 3e-63 GenBank AAM61332.1 "senescence-associated protein[Arabidopsis thaliana]" 107.50 120 99 99 3e-63 GenBank AAN38701.1 "At5g66040/K2A18_11 [Arabidopsisthaliana]" 107.50 120 99 99 3e-63 REF NP_569026.2 "senescence-associated family protein[Arabidopsis thaliana]" 198.46 65 98 98 9e-31 REF NP_851278.1 "senescence-associated family protein[Arabidopsis thaliana]" 107.50 120 99 99 3e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At5g66040 "thale cress" 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $At5g66040 'cell free synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At5g66040 1 mM "[U-13C; U-15N]" stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe loop_ _Task "data processing" "automated peak picking" stop_ save_ save_PIPP/STAPP _Saveframe_category software _Name PIPP/STAPP loop_ _Task "manual peak assignments" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 750 save_ save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 15N-HSQC HNCACB CBCACONH HNCO HBHACONH CCONH CCONH HCCH-TOCSY 3D-15N NOESY 3D-13C NOESY 15N-T2 ; save_ ####################### # Sample conditions # ####################### save_sample_cond _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 0.0 internal direct . . . 1.0 DSS N 15 "methyl protons" ppm 0.00 external direct . . . 0.101329118 DSS C 13 "methyl protons" ppm 0.00 external direct . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name At5g66040 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 HIS C C 174.6470 0.01 1 2 8 HIS CA C 56.1576 0.01 1 3 8 HIS CB C 30.0005 0.01 1 4 8 HIS HA H 4.5816 0.005 1 5 8 HIS HB3 H 3.1022 0.005 1 6 9 LEU CA C 55.1854 0.01 1 7 9 LEU CB C 42.2793 0.01 1 8 9 LEU CD1 C 24.8033 0.01 1 9 9 LEU CD2 C 23.4863 0.01 1 10 9 LEU CG C 26.8035 0.01 1 11 9 LEU HA H 4.2778 0.005 1 12 9 LEU HB3 H 1.5474 0.005 1 13 9 LEU HD1 H 0.8663 0.005 1 14 9 LEU HD2 H 0.8252 0.005 1 15 9 LEU HG H 1.4198 0.005 1 16 9 LEU H H 8.2726 0.005 1 17 9 LEU N N 123.6330 0.01 1 18 10 GLU C C 175.9200 0.01 1 19 10 GLU CA C 55.4248 0.01 1 20 10 GLU CB C 32.9609 0.01 1 21 10 GLU CG C 31.9420 0.01 1 22 10 GLU HA H 4.4408 0.005 1 23 10 GLU HB2 H 1.9714 0.005 1 24 10 GLU HB3 H 2.0568 0.005 1 25 10 GLU HG2 H 2.5073 0.005 1 26 10 GLU HG3 H 2.5493 0.005 1 27 10 GLU H H 8.4387 0.005 1 28 10 GLU N N 121.8540 0.01 1 29 11 ALA C C 177.8610 0.01 1 30 11 ALA CA C 52.6784 0.01 1 31 11 ALA CB C 19.1543 0.01 1 32 11 ALA HA H 4.2905 0.005 1 33 11 ALA HB H 1.3816 0.005 1 34 11 ALA H H 8.3363 0.005 1 35 11 ALA N N 125.2731 0.01 1 36 12 GLU C C 176.9490 0.01 1 37 12 GLU CA C 56.9168 0.01 1 38 12 GLU CB C 30.1409 0.01 1 39 12 GLU CG C 36.2378 0.01 1 40 12 GLU HA H 4.2120 0.005 1 41 12 GLU HB2 H 1.9924 0.005 1 42 12 GLU HG3 H 2.2598 0.005 1 43 12 GLU H H 8.4237 0.005 1 44 12 GLU N N 120.3886 0.01 1 45 13 GLU C C 176.4960 0.01 1 46 13 GLU CA C 56.8710 0.01 1 47 13 GLU CB C 30.1574 0.01 1 48 13 GLU CG C 36.2530 0.01 1 49 13 GLU HA H 4.2278 0.005 1 50 13 GLU HB2 H 1.9939 0.005 1 51 13 GLU HG3 H 2.2568 0.005 1 52 13 GLU H H 8.4749 0.005 1 53 13 GLU N N 121.5563 0.01 1 54 14 SER C C 174.4630 0.01 1 55 14 SER CA C 58.4316 0.01 1 56 14 SER CB C 63.7204 0.01 1 57 14 SER HA H 4.4483 0.005 1 58 14 SER HB3 H 3.8636 0.005 1 59 14 SER H H 8.2797 0.005 1 60 14 SER N N 116.5650 0.01 1 61 15 ARG C C 175.5620 0.01 1 62 15 ARG CA C 56.0252 0.01 1 63 15 ARG CB C 30.9605 0.01 1 64 15 ARG CD C 43.3324 0.01 1 65 15 ARG CG C 27.3502 0.01 1 66 15 ARG HA H 4.3913 0.005 1 67 15 ARG HB2 H 1.9602 0.005 1 68 15 ARG HB3 H 1.7643 0.005 1 69 15 ARG HD2 H 3.1088 0.005 1 70 15 ARG HD3 H 3.1766 0.005 1 71 15 ARG HG2 H 1.6141 0.005 1 72 15 ARG H H 8.3209 0.005 1 73 15 ARG N N 123.1848 0.01 1 74 16 VAL CA C 59.1877 0.01 1 75 16 VAL CB C 33.0469 0.01 1 76 16 VAL CG1 C 20.6233 0.01 1 77 16 VAL CG2 C 23.0085 0.01 1 78 16 VAL HA H 4.4974 0.005 1 79 16 VAL HB H 2.0577 0.005 1 80 16 VAL HG1 H 0.9339 0.005 1 81 16 VAL HG2 H 0.9738 0.005 1 82 16 VAL H H 8.1557 0.005 1 83 16 VAL N N 121.6931 0.01 1 84 17 PRO C C 176.2450 0.01 1 85 17 PRO CA C 62.7979 0.01 1 86 17 PRO CB C 32.7052 0.01 1 87 17 PRO CD C 51.0030 0.01 1 88 17 PRO CG C 27.5010 0.01 1 89 17 PRO HA H 4.4558 0.005 1 90 17 PRO HB2 H 1.8140 0.005 1 91 17 PRO HB3 H 2.0293 0.005 1 92 18 SER C C 173.1400 0.01 1 93 18 SER CA C 58.6290 0.01 1 94 18 SER CB C 64.2527 0.01 1 95 18 SER HA H 4.5445 0.005 1 96 18 SER HB3 H 3.8975 0.005 1 97 18 SER H H 9.0703 0.005 1 98 18 SER N N 118.2029 0.01 1 99 19 SER C C 174.1410 0.01 1 100 19 SER CA C 57.2005 0.01 1 101 19 SER CB C 65.3565 0.01 1 102 19 SER HA H 5.5240 0.005 1 103 19 SER HB2 H 3.5335 0.005 1 104 19 SER HB3 H 3.7898 0.005 1 105 19 SER H H 8.2621 0.005 1 106 19 SER N N 118.5740 0.01 1 107 20 VAL C C 174.0870 0.01 1 108 20 VAL CA C 58.4853 0.01 1 109 20 VAL CB C 35.4821 0.01 1 110 20 VAL CG1 C 18.3721 0.01 1 111 20 VAL CG2 C 22.4810 0.01 1 112 20 VAL HA H 4.8313 0.005 1 113 20 VAL HB H 2.1312 0.005 1 114 20 VAL HG1 H 0.7152 0.005 1 115 20 VAL HG2 H 0.7630 0.005 1 116 20 VAL H H 9.2927 0.005 1 117 20 VAL N N 116.6698 0.01 1 118 21 SER C C 175.8270 0.01 1 119 21 SER CA C 57.0183 0.01 1 120 21 SER CB C 65.2018 0.01 1 121 21 SER HA H 4.6005 0.005 1 122 21 SER HB3 H 4.0010 0.005 1 123 21 SER H H 8.3442 0.005 1 124 21 SER N N 116.9323 0.01 1 125 22 VAL C C 176.8000 0.01 1 126 22 VAL CA C 65.9475 0.01 1 127 22 VAL CB C 30.9330 0.01 1 128 22 VAL CG1 C 18.9530 0.01 1 129 22 VAL CG2 C 23.3223 0.01 1 130 22 VAL HA H 4.0671 0.005 1 131 22 VAL HB H 2.1243 0.005 1 132 22 VAL HG1 H 0.9374 0.005 1 133 22 VAL HG2 H 1.2355 0.005 1 134 22 VAL H H 9.1104 0.005 1 135 22 VAL N N 114.1786 0.01 1 136 23 THR C C 177.0910 0.01 1 137 23 THR CA C 65.9203 0.01 1 138 23 THR CB C 67.8773 0.01 1 139 23 THR CG2 C 22.1367 0.01 1 140 23 THR HA H 3.7755 0.005 1 141 23 THR HB H 4.0689 0.005 1 142 23 THR HG2 H 1.1690 0.005 1 143 23 THR H H 7.3867 0.005 1 144 23 THR N N 112.5430 0.01 1 145 24 VAL C C 178.0220 0.01 1 146 24 VAL CA C 66.0412 0.01 1 147 24 VAL CB C 31.8886 0.01 1 148 24 VAL CG1 C 20.6965 0.01 1 149 24 VAL CG2 C 23.1180 0.01 1 150 24 VAL HA H 3.7780 0.005 1 151 24 VAL HB H 2.0619 0.005 1 152 24 VAL HG1 H 0.8742 0.005 1 153 24 VAL HG2 H 0.9851 0.005 1 154 24 VAL H H 7.1679 0.005 1 155 24 VAL N N 124.6186 0.01 1 156 25 ALA C C 178.5150 0.01 1 157 25 ALA CA C 55.4678 0.01 1 158 25 ALA CB C 18.8124 0.01 1 159 25 ALA HA H 3.8107 0.005 1 160 25 ALA HB H 1.7006 0.005 1 161 25 ALA H H 9.1617 0.005 1 162 25 ALA N N 121.3964 0.01 1 163 26 HIS C C 176.3670 0.01 1 164 26 HIS CA C 60.8937 0.01 1 165 26 HIS CB C 28.6989 0.01 1 166 26 HIS HA H 4.4141 0.005 1 167 26 HIS HB2 H 3.0526 0.005 1 168 26 HIS HB3 H 2.7602 0.005 1 169 26 HIS H H 8.3098 0.005 1 170 26 HIS N N 116.7278 0.01 1 171 27 ASP CA C 57.8522 0.01 1 172 27 ASP CB C 39.9170 0.01 1 173 27 ASP H H 7.4674 0.005 1 174 27 ASP N N 119.8927 0.01 1 175 29 LEU C C 181.3110 0.01 1 176 29 LEU CA C 58.0386 0.01 1 177 29 LEU CB C 42.8045 0.01 1 178 29 LEU HA H 3.9430 0.005 1 179 29 LEU HB3 H 2.1210 0.005 1 180 30 LEU C C 178.4930 0.01 1 181 30 LEU CA C 57.3465 0.01 1 182 30 LEU CB C 41.2216 0.01 1 183 30 LEU CD1 C 22.2122 0.01 1 184 30 LEU CD2 C 25.3075 0.01 1 185 30 LEU CG C 26.7300 0.01 1 186 30 LEU HA H 4.0822 0.005 1 187 30 LEU HB2 H 1.4646 0.005 1 188 30 LEU HB3 H 1.8645 0.005 1 189 30 LEU HD1 H 0.8392 0.005 1 190 30 LEU HD2 H 0.7693 0.005 1 191 30 LEU HG H 1.4849 0.005 1 192 30 LEU H H 8.1491 0.005 1 193 30 LEU N N 120.3521 0.01 1 194 31 ALA C C 178.1280 0.01 1 195 31 ALA CA C 52.0977 0.01 1 196 31 ALA CB C 18.8209 0.01 1 197 31 ALA HA H 4.5206 0.005 1 198 31 ALA HB H 1.5459 0.005 1 199 31 ALA H H 7.5494 0.005 1 200 31 ALA N N 120.1232 0.01 1 201 32 GLY CA C 45.7181 0.01 1 202 32 GLY HA2 H 3.8257 0.005 1 203 32 GLY HA3 H 4.6278 0.005 1 204 32 GLY H H 7.9263 0.005 1 205 32 GLY N N 106.8347 0.01 1 206 34 ARG C C 174.0050 0.01 1 207 34 ARG CA C 54.7199 0.01 1 208 34 ARG CB C 33.0691 0.01 1 209 34 ARG CD C 43.3056 0.01 1 210 34 ARG CG C 26.9880 0.01 1 211 34 ARG HA H 4.6526 0.005 1 212 34 ARG HB2 H 1.7399 0.005 1 213 34 ARG HB3 H 2.0080 0.005 1 214 34 ARG HD2 H 3.2709 0.005 1 215 34 ARG HG2 H 1.9830 0.005 1 216 34 ARG HG3 H 1.7836 0.005 1 217 35 TYR C C 174.6010 0.01 1 218 35 TYR CA C 55.7957 0.01 1 219 35 TYR CB C 39.6530 0.01 1 220 35 TYR HA H 5.0735 0.005 1 221 35 TYR HB2 H 3.1317 0.005 1 222 35 TYR HB3 H 2.4541 0.005 1 223 35 TYR H H 9.0694 0.005 1 224 35 TYR N N 125.1432 0.01 1 225 36 LEU C C 171.8860 0.01 1 226 36 LEU CA C 53.5298 0.01 1 227 36 LEU CB C 43.0894 0.01 1 228 36 LEU CD1 C 26.7332 0.01 1 229 36 LEU CD2 C 23.0467 0.01 1 230 36 LEU CG C 27.2210 0.01 1 231 36 LEU HA H 5.0413 0.005 1 232 36 LEU HB2 H 1.6894 0.005 1 233 36 LEU HB3 H 0.9008 0.005 1 234 36 LEU HD1 H 0.5709 0.005 1 235 36 LEU HD2 H 0.8906 0.005 1 236 36 LEU HG H 1.5288 0.005 1 237 36 LEU H H 9.4766 0.005 1 238 36 LEU N N 131.9384 0.01 1 239 37 ASP C C 178.0550 0.01 1 240 37 ASP CA C 52.0587 0.01 1 241 37 ASP CB C 44.4046 0.01 1 242 37 ASP HA H 5.5897 0.005 1 243 37 ASP HB2 H 2.3745 0.005 1 244 37 ASP HB3 H 3.0502 0.005 1 245 37 ASP H H 9.4831 0.005 1 246 37 ASP N N 129.1112 0.01 1 247 38 VAL C C 180.0050 0.01 1 248 38 VAL CA C 59.7032 0.01 1 249 38 VAL CB C 30.7330 0.01 1 250 38 VAL CG1 C 21.4451 0.01 1 251 38 VAL CG2 C 18.3268 0.01 1 252 38 VAL HA H 5.6752 0.005 1 253 38 VAL HB H 2.7503 0.005 1 254 38 VAL HG1 H 1.0400 0.005 1 255 38 VAL HG2 H 0.5655 0.005 1 256 38 VAL H H 8.8863 0.005 1 257 38 VAL N N 118.1833 0.01 1 258 39 ARG C C 174.8190 0.01 1 259 39 ARG CA C 57.4479 0.01 1 260 39 ARG CB C 31.1771 0.01 1 261 39 ARG HA H 4.4133 0.005 1 262 39 ARG H H 8.2835 0.005 1 263 39 ARG N N 121.9344 0.01 1 264 40 THR CA C 61.7144 0.01 1 265 40 THR CB C 68.8940 0.01 1 266 40 THR CG2 C 22.6813 0.01 1 267 40 THR HA H 4.6134 0.005 1 268 40 THR HB H 4.9591 0.005 1 269 40 THR HG2 H 1.5193 0.005 1 270 40 THR H H 8.4598 0.005 1 271 40 THR N N 109.3981 0.01 1 272 42 GLU C C 179.8470 0.01 1 273 42 GLU CG C 36.9830 0.01 1 274 42 GLU HA H 4.0585 0.005 1 275 42 GLU HB2 H 1.9320 0.005 1 276 42 GLU HB3 H 2.1030 0.005 1 277 42 GLU HG3 H 2.48 0.005 1 278 43 GLU C C 178.7330 0.01 1 279 43 GLU CA C 58.8466 0.01 1 280 43 GLU CB C 32.2752 0.01 1 281 43 GLU HA H 4.0170 0.005 1 282 43 GLU HB2 H 1.8795 0.005 1 283 43 GLU HB3 H 2.3020 0.005 1 284 43 GLU H H 7.4624 0.005 1 285 43 GLU N N 119.1358 0.01 1 286 44 PHE C C 178.0520 0.01 1 287 44 PHE CA C 61.5622 0.01 1 288 44 PHE CB C 40.2723 0.01 1 289 44 PHE HA H 3.8533 0.005 1 290 44 PHE HB2 H 2.9444 0.005 1 291 44 PHE HB3 H 2.6288 0.005 1 292 44 PHE H H 8.5336 0.005 1 293 44 PHE N N 120.7072 0.01 1 294 45 SER C C 174.9960 0.01 1 295 45 SER CA C 60.5697 0.01 1 296 45 SER CB C 63.2828 0.01 1 297 45 SER HA H 4.2201 0.005 1 298 45 SER HB3 H 4.0393 0.005 1 299 45 SER H H 8.4323 0.005 1 300 45 SER N N 112.6836 0.01 1 301 46 GLN C C 176.0200 0.01 1 302 46 GLN CA C 56.1576 0.01 1 303 46 GLN CB C 28.5547 0.01 1 304 46 GLN CG C 34.0340 0.01 1 305 46 GLN HA H 4.2240 0.005 1 306 46 GLN HB2 H 2.0937 0.005 1 307 46 GLN HB3 H 2.2979 0.005 1 308 46 GLN HG2 H 2.4158 0.005 1 309 46 GLN HG3 H 2.5399 0.005 1 310 46 GLN H H 7.2162 0.005 1 311 46 GLN N N 118.0166 0.01 1 312 47 GLY C C 171.5960 0.01 1 313 47 GLY CA C 44.9441 0.01 1 314 47 GLY HA2 H 3.5787 0.005 1 315 47 GLY HA3 H 4.2088 0.005 1 316 47 GLY H H 6.9406 0.005 1 317 47 GLY N N 107.8625 0.01 1 318 48 HIS C C 171.9880 0.01 1 319 48 HIS CA C 53.9349 0.01 1 320 48 HIS CB C 31.0551 0.01 1 321 48 HIS HA H 4.1410 0.005 1 322 48 HIS HB2 H 2.1007 0.005 1 323 48 HIS HB3 H 2.4357 0.005 1 324 48 HIS H H 8.1860 0.005 1 325 48 HIS N N 119.1641 0.01 1 326 49 ALA C C 178.4730 0.01 1 327 49 ALA CA C 52.1017 0.01 1 328 49 ALA CB C 18.9897 0.01 1 329 49 ALA HA H 4.2767 0.005 1 330 49 ALA HB H 0.1604 0.005 1 331 49 ALA H H 8.7104 0.005 1 332 49 ALA N N 121.8735 0.01 1 333 50 CYS C C 175.5950 0.01 1 334 50 CYS CA C 61.1469 0.01 1 335 50 CYS CB C 26.3644 0.01 1 336 50 CYS HA H 4.0085 0.005 1 337 50 CYS HB2 H 2.8587 0.005 1 338 50 CYS HB3 H 3.0440 0.005 1 339 50 CYS H H 8.9267 0.005 1 340 50 CYS N N 123.7646 0.01 1 341 51 GLY C C 175.3370 0.01 1 342 51 GLY CA C 45.1488 0.01 1 343 51 GLY HA2 H 3.7702 0.005 1 344 51 GLY HA3 H 4.2840 0.005 1 345 51 GLY H H 9.0816 0.005 1 346 51 GLY N N 113.9578 0.01 1 347 52 ALA C C 176.0360 0.01 1 348 52 ALA CA C 53.1352 0.01 1 349 52 ALA CB C 21.3593 0.01 1 350 52 ALA HA H 4.7396 0.005 1 351 52 ALA HB H 1.1099 0.005 1 352 52 ALA H H 7.5800 0.005 1 353 52 ALA N N 122.0498 0.01 1 354 53 ILE C C 174.2010 0.01 1 355 53 ILE CA C 59.1678 0.01 1 356 53 ILE CB C 40.3180 0.01 1 357 53 ILE CD1 C 12.7582 0.01 1 358 53 ILE CG1 C 27.6364 0.01 1 359 53 ILE CG2 C 16.2956 0.01 1 360 53 ILE HA H 4.0595 0.005 1 361 53 ILE HB H 1.7661 0.005 1 362 53 ILE HD1 H 0.6027 0.005 1 363 53 ILE HG12 H 1.1207 0.005 1 364 53 ILE HG13 H 1.4338 0.005 1 365 53 ILE HG2 H 0.2796 0.005 1 366 53 ILE H H 8.7375 0.005 1 367 53 ILE N N 120.9160 0.01 1 368 54 ASN C C 174.5610 0.01 1 369 54 ASN CA C 51.1401 0.01 1 370 54 ASN CB C 39.3392 0.01 1 371 54 ASN HA H 5.3006 0.005 1 372 54 ASN HB2 H -0.2699 0.005 1 373 54 ASN HB3 H 1.6955 0.005 1 374 54 ASN H H 8.5221 0.005 1 375 54 ASN N N 126.0397 0.01 1 376 55 VAL CA C 60.3140 0.01 1 377 55 VAL CB C 33.7626 0.01 1 378 55 VAL CG1 C 22.6820 0.01 1 379 55 VAL CG2 C 20.0065 0.01 1 380 55 VAL HA H 4.2880 0.005 1 381 55 VAL HB H 1.9654 0.005 1 382 55 VAL HG1 H 0.8834 0.005 1 383 55 VAL HG2 H 0.6074 0.005 1 384 55 VAL H H 7.4185 0.005 1 385 55 VAL N N 125.7460 0.01 1 386 56 PRO C C 177.5380 0.01 1 387 56 PRO CA C 62.3302 0.01 1 388 56 PRO CB C 33.6253 0.01 1 389 56 PRO CD C 50.9666 0.01 1 390 56 PRO CG C 28.1251 0.01 1 391 56 PRO HA H 4.0949 0.005 1 392 56 PRO HB2 H 1.9079 0.005 1 393 56 PRO HB3 H 2.2362 0.005 1 394 56 PRO HD2 H 3.3266 0.005 1 395 56 PRO HD3 H 3.6448 0.005 1 396 56 PRO HG2 H 2.0279 0.005 1 397 56 PRO HG3 H 2.1745 0.005 1 398 57 TYR C C 175.3030 0.01 1 399 57 TYR CA C 60.7031 0.01 1 400 57 TYR CB C 40.2886 0.01 1 401 57 TYR HA H 4.1419 0.005 1 402 57 TYR HB2 H 2.2906 0.005 1 403 57 TYR HB3 H 2.6979 0.005 1 404 57 TYR H H 8.8021 0.005 1 405 57 TYR N N 124.1552 0.01 1 406 58 MET C C 174.8740 0.01 1 407 58 MET CA C 52.7018 0.01 1 408 58 MET CB C 35.8657 0.01 1 409 58 MET CG C 32.4150 0.01 1 410 58 MET HA H 4.8213 0.005 1 411 58 MET HB2 H 1.7877 0.005 1 412 58 MET HB3 H 1.8114 0.005 1 413 58 MET HG2 H 2.1597 0.005 1 414 58 MET HG3 H 2.5953 0.005 1 415 58 MET H H 7.7723 0.005 1 416 58 MET N N 112.1546 0.01 1 417 59 ASN C C 174.5470 0.01 1 418 59 ASN CA C 51.4963 0.01 1 419 59 ASN CB C 41.2627 0.01 1 420 59 ASN HA H 5.0269 0.005 1 421 59 ASN HB2 H 2.5572 0.005 1 422 59 ASN HB3 H 2.7111 0.005 1 423 59 ASN H H 9.0922 0.005 1 424 59 ASN N N 118.3627 0.01 1 425 60 ARG C C 175.8610 0.01 1 426 60 ARG CA C 56.8338 0.01 1 427 60 ARG CB C 31.1558 0.01 1 428 60 ARG CD C 43.2983 0.01 1 429 60 ARG CG C 27.5560 0.01 1 430 60 ARG HA H 4.5290 0.005 1 431 60 ARG HB2 H 1.7271 0.005 1 432 60 ARG HB3 H 1.9362 0.005 1 433 60 ARG HD2 H 3.2028 0.005 1 434 60 ARG HG2 H 1.6168 0.005 1 435 60 ARG H H 9.2572 0.005 1 436 60 ARG N N 122.8199 0.01 1 437 61 GLY C C 174.2720 0.01 1 438 61 GLY CA C 44.1985 0.01 1 439 61 GLY HA2 H 3.8871 0.005 1 440 61 GLY HA3 H 4.5120 0.005 1 441 61 GLY H H 8.1260 0.005 1 442 61 GLY N N 114.8675 0.01 1 443 62 ALA C C 179.3380 0.01 1 444 62 ALA CA C 55.0148 0.01 1 445 62 ALA CB C 18.5050 0.01 1 446 62 ALA HA H 4.1149 0.005 1 447 62 ALA HB H 1.4417 0.005 1 448 62 ALA H H 8.7701 0.005 1 449 62 ALA N N 124.1432 0.01 1 450 63 SER C C 173.8280 0.01 1 451 63 SER CA C 57.4701 0.01 1 452 63 SER CB C 63.5322 0.01 1 453 63 SER HA H 4.6029 0.005 1 454 63 SER HB3 H 3.8821 0.005 1 455 63 SER H H 8.3821 0.005 1 456 63 SER N N 110.1129 0.01 1 457 64 GLY C C 173.4620 0.01 1 458 64 GLY CA C 44.2689 0.01 1 459 64 GLY HA2 H 4.4221 0.005 1 460 64 GLY HA3 H 3.7583 0.005 1 461 64 GLY H H 7.5905 0.005 1 462 64 GLY N N 109.7061 0.01 1 463 65 MET C C 176.4110 0.01 1 464 65 MET CA C 54.8216 0.01 1 465 65 MET CB C 34.1895 0.01 1 466 65 MET CG C 32.7127 0.01 1 467 65 MET HA H 5.1117 0.005 1 468 65 MET HB2 H 1.8071 0.005 1 469 65 MET HB3 H 2.0007 0.005 1 470 65 MET HG2 H 2.4627 0.005 1 471 65 MET HG3 H 2.6475 0.005 1 472 65 MET H H 8.6144 0.005 1 473 65 MET N N 120.3884 0.01 1 474 66 SER C C 173.3050 0.01 1 475 66 SER CA C 56.7398 0.01 1 476 66 SER CB C 65.6084 0.01 1 477 66 SER HA H 4.6871 0.005 1 478 66 SER HB3 H 3.7492 0.005 1 479 66 SER H H 8.9092 0.005 1 480 66 SER N N 116.6285 0.01 1 481 67 LYS C C 176.3820 0.01 1 482 67 LYS CA C 57.9847 0.01 1 483 67 LYS CB C 32.3886 0.01 1 484 67 LYS CD C 28.7802 0.01 1 485 67 LYS CE C 41.7720 0.01 1 486 67 LYS CG C 24.9187 0.01 1 487 67 LYS HA H 4.0662 0.005 1 488 67 LYS HB2 H 1.5547 0.005 1 489 67 LYS HD2 H 1.3849 0.005 1 490 67 LYS HD3 H 1.4714 0.005 1 491 67 LYS HE3 H 2.7437 0.005 1 492 67 LYS HG2 H 0.9979 0.005 1 493 67 LYS H H 8.7767 0.005 1 494 67 LYS N N 124.9394 0.01 1 495 68 ASN C C 177.1790 0.01 1 496 68 ASN CA C 51.8783 0.01 1 497 68 ASN CB C 37.1654 0.01 1 498 68 ASN HA H 4.7517 0.005 1 499 68 ASN HB2 H 3.0372 0.005 1 500 68 ASN HB3 H 2.3245 0.005 1 501 68 ASN H H 8.2314 0.005 1 502 68 ASN N N 121.4588 0.01 1 503 69 THR C C 174.9430 0.01 1 504 69 THR CA C 64.5504 0.01 1 505 69 THR CB C 68.0324 0.01 1 506 69 THR CG2 C 21.8616 0.01 1 507 69 THR HA H 4.0588 0.005 1 508 69 THR HB H 4.3927 0.005 1 509 69 THR HG2 H 1.2567 0.005 1 510 69 THR H H 8.8492 0.005 1 511 69 THR N N 123.0781 0.01 1 512 70 ASP C C 174.8270 0.01 1 513 70 ASP CA C 54.0416 0.01 1 514 70 ASP CB C 41.2964 0.01 1 515 70 ASP HA H 5.1121 0.005 1 516 70 ASP HB2 H 2.5307 0.005 1 517 70 ASP HB3 H 3.0247 0.005 1 518 70 ASP H H 7.7406 0.005 1 519 70 ASP N N 120.3022 0.01 1 520 71 PHE C C 175.6520 0.01 1 521 71 PHE CA C 62.9019 0.01 1 522 71 PHE CB C 40.3929 0.01 1 523 71 PHE HA H 3.8800 0.005 1 524 71 PHE HB2 H 2.9632 0.005 1 525 71 PHE HB3 H 3.4934 0.005 1 526 71 PHE H H 7.2225 0.005 1 527 71 PHE N N 119.9368 0.01 1 528 72 LEU C C 178.1800 0.01 1 529 72 LEU CA C 58.2458 0.01 1 530 72 LEU CB C 40.9532 0.01 1 531 72 LEU CD1 C 24.5196 0.01 1 532 72 LEU CD2 C 23.6677 0.01 1 533 72 LEU CG C 27.2625 0.01 1 534 72 LEU HA H 3.5927 0.005 1 535 72 LEU HB2 H 1.5601 0.005 1 536 72 LEU HB3 H 1.8322 0.005 1 537 72 LEU HD1 H 1.0328 0.005 1 538 72 LEU HD2 H 0.8829 0.005 1 539 72 LEU HG H 1.9158 0.005 1 540 72 LEU H H 8.7450 0.005 1 541 72 LEU N N 117.3882 0.01 1 542 73 GLU C C 179.6310 0.01 1 543 73 GLU CA C 59.6919 0.01 1 544 73 GLU CB C 29.3462 0.01 1 545 73 GLU CG C 36.4895 0.01 1 546 73 GLU HA H 3.9505 0.005 1 547 73 GLU HB2 H 2.0219 0.005 1 548 73 GLU HB3 H 2.0899 0.005 1 549 73 GLU HG3 H 2.2617 0.005 1 550 73 GLU H H 8.2586 0.005 1 551 73 GLU N N 121.8798 0.01 1 552 74 GLN C C 180.7060 0.01 1 553 74 GLN CA C 58.9702 0.01 1 554 74 GLN CB C 28.5572 0.01 1 555 74 GLN CG C 34.5757 0.01 1 556 74 GLN HA H 4.0263 0.005 1 557 74 GLN HB2 H 1.9229 0.005 1 558 74 GLN HB3 H 2.0936 0.005 1 559 74 GLN HG2 H 2.4156 0.005 1 560 74 GLN HG3 H 2.5883 0.005 1 561 74 GLN H H 8.3927 0.005 1 562 74 GLN N N 119.4169 0.01 1 563 75 VAL C C 179.0670 0.01 1 564 75 VAL CA C 68.6694 0.01 1 565 75 VAL CB C 31.3383 0.01 1 566 75 VAL CG1 C 21.6985 0.01 1 567 75 VAL CG2 C 23.9319 0.01 1 568 75 VAL HA H 3.4383 0.005 1 569 75 VAL HB H 1.6502 0.005 1 570 75 VAL HG1 H 0.4677 0.005 1 571 75 VAL HG2 H 0.1280 0.005 1 572 75 VAL H H 8.7999 0.005 1 573 75 VAL N N 121.9549 0.01 1 574 76 SER C C 174.0510 0.01 1 575 76 SER CA C 61.5242 0.01 1 576 76 SER CB C 63.1134 0.01 1 577 76 SER HA H 4.8861 0.005 1 578 76 SER HB2 H 4.0701 0.005 1 579 76 SER HB3 H 4.1611 0.005 1 580 76 SER H H 8.2998 0.005 1 581 76 SER N N 115.5858 0.01 1 582 77 SER C C 174.2490 0.01 1 583 77 SER CA C 60.3184 0.01 1 584 77 SER CB C 63.1077 0.01 1 585 77 SER HA H 4.2400 0.005 1 586 77 SER HB3 H 3.7179 0.005 1 587 77 SER H H 7.4520 0.005 1 588 77 SER N N 114.9395 0.01 1 589 78 HIS C C 174.0650 0.01 1 590 78 HIS CA C 56.8873 0.01 1 591 78 HIS CB C 32.7629 0.01 1 592 78 HIS HA H 4.4622 0.005 1 593 78 HIS HB2 H 2.2443 0.005 1 594 78 HIS HB3 H 2.5393 0.005 1 595 78 HIS H H 7.5876 0.005 1 596 78 HIS N N 117.3095 0.01 1 597 79 PHE C C 175.0540 0.01 1 598 79 PHE CA C 56.4498 0.01 1 599 79 PHE CB C 42.7991 0.01 1 600 79 PHE HA H 4.9234 0.005 1 601 79 PHE HB2 H 2.6715 0.005 1 602 79 PHE HB3 H 3.3575 0.005 1 603 79 PHE H H 8.2259 0.005 1 604 79 PHE N N 117.3021 0.01 1 605 80 GLY C C 175.2700 0.01 1 606 80 GLY CA C 44.1080 0.01 1 607 80 GLY HA3 H 3.6954 0.005 1 608 80 GLY H H 8.7721 0.005 1 609 80 GLY N N 108.7806 0.01 1 610 81 GLN C C 177.9890 0.01 1 611 81 GLN CA C 58.8436 0.01 1 612 81 GLN CB C 28.0240 0.01 1 613 81 GLN CG C 34.7336 0.01 1 614 81 GLN HA H 3.1856 0.005 1 615 81 GLN HB2 H 1.6603 0.005 1 616 81 GLN HB3 H 1.8515 0.005 1 617 81 GLN HG2 H 1.2029 0.005 1 618 81 GLN HG3 H 1.7734 0.005 1 619 81 GLN H H 8.2642 0.005 1 620 81 GLN N N 117.6421 0.01 1 621 82 SER C C 174.7870 0.01 1 622 82 SER CA C 57.3280 0.01 1 623 82 SER CB C 63.4463 0.01 1 624 82 SER HA H 4.6139 0.005 1 625 82 SER HB2 H 3.7990 0.005 1 626 82 SER HB3 H 3.9535 0.005 1 627 82 SER H H 8.2539 0.005 1 628 82 SER N N 111.8961 0.01 1 629 83 ASP C C 175.2630 0.01 1 630 83 ASP CA C 55.2873 0.01 1 631 83 ASP CB C 40.3961 0.01 1 632 83 ASP HA H 4.3411 0.005 1 633 83 ASP HB2 H 2.5656 0.005 1 634 83 ASP HB3 H 2.9788 0.005 1 635 83 ASP H H 7.5744 0.005 1 636 83 ASP N N 123.4335 0.01 1 637 84 ASN CA C 53.2262 0.01 1 638 84 ASN CB C 36.6789 0.01 1 639 84 ASN H H 8.3528 0.005 1 640 84 ASN N N 119.4463 0.01 1 641 85 ILE C C 175.2630 0.01 1 642 85 ILE CA C 60.1051 0.01 1 643 85 ILE CB C 44.0517 0.01 1 644 85 ILE CD1 C 13.7310 0.01 1 645 85 ILE CG1 C 26.6267 0.01 1 646 85 ILE CG2 C 18.6287 0.01 1 647 85 ILE HA H 4.9049 0.005 1 648 85 ILE HB H 1.2389 0.005 1 649 85 ILE HD1 H 0.3409 0.005 1 650 85 ILE HG12 H 0.2074 0.005 1 651 85 ILE HG13 H 1.2073 0.005 1 652 85 ILE HG2 H 0.3493 0.005 1 653 86 ILE C C 173.0310 0.01 1 654 86 ILE CA C 58.8250 0.01 1 655 86 ILE CB C 38.1654 0.01 1 656 86 ILE CD1 C 14.7867 0.01 1 657 86 ILE CG1 C 25.4560 0.01 1 658 86 ILE CG2 C 19.2153 0.01 1 659 86 ILE HA H 5.1054 0.005 1 660 86 ILE HB H 1.4233 0.005 1 661 86 ILE HD1 H 0.8238 0.005 1 662 86 ILE HG12 H 0.8825 0.005 1 663 86 ILE HG13 H 1.4227 0.005 1 664 86 ILE HG2 H 0.7639 0.005 1 665 86 ILE H H 9.0058 0.005 1 666 86 ILE N N 121.9605 0.01 1 667 87 VAL C C 173.8650 0.01 1 668 87 VAL CA C 60.6723 0.01 1 669 87 VAL CB C 32.5061 0.01 1 670 87 VAL CG1 C 22.3473 0.01 1 671 87 VAL CG2 C 22.2137 0.01 1 672 87 VAL HA H 4.8434 0.005 1 673 87 VAL HB H 2.0965 0.005 1 674 87 VAL HG1 H 0.7251 0.005 1 675 87 VAL HG2 H 0.6489 0.005 1 676 87 VAL H H 8.8386 0.005 1 677 87 VAL N N 125.0192 0.01 1 678 88 GLY C C 173.7210 0.01 1 679 88 GLY CA C 43.5477 0.01 1 680 88 GLY HA2 H 3.5415 0.005 1 681 88 GLY HA3 H 5.6314 0.005 1 682 88 GLY H H 8.6106 0.005 1 683 88 GLY N N 108.8041 0.01 1 684 89 CYS CA C 56.8826 0.01 1 685 89 CYS CB C 29.1952 0.01 1 686 89 CYS HA H 5.1712 0.005 1 687 89 CYS HB2 H 2.6252 0.005 1 688 89 CYS HB3 H 2.9495 0.005 1 689 89 CYS H H 8.9784 0.005 1 690 89 CYS N N 119.7447 0.01 1 691 91 SER C C 173.9430 0.01 1 692 91 SER CA C 57.7801 0.01 1 693 91 SER CB C 64.9383 0.01 1 694 91 SER HA H 5.0034 0.005 1 695 91 SER HB2 H 3.9192 0.005 1 696 91 SER HB3 H 4.2377 0.005 1 697 92 GLY C C 176.0230 0.01 1 698 92 GLY CA C 45.3987 0.01 1 699 92 GLY HA2 H 4.1885 0.005 1 700 92 GLY HA3 H 4.7653 0.005 1 701 92 GLY H H 8.8521 0.005 1 702 92 GLY N N 115.3960 0.01 1 703 93 GLY C C 175.8800 0.01 1 704 93 GLY CA C 47.2088 0.01 1 705 93 GLY HA2 H 3.8276 0.005 1 706 93 GLY HA3 H 4.0655 0.005 1 707 93 GLY H H 8.6954 0.005 1 708 93 GLY N N 109.2610 0.01 1 709 94 ARG C C 178.4400 0.01 1 710 94 ARG CA C 58.4708 0.01 1 711 94 ARG CB C 32.4866 0.01 1 712 94 ARG HA H 4.2100 0.005 1 713 94 ARG H H 9.3601 0.005 1 714 94 ARG N N 122.9243 0.01 1 715 95 SER C C 178.3090 0.01 1 716 95 SER CA C 62.8413 0.01 1 717 95 SER CB C 59.8550 0.01 1 718 95 SER HA H 3.4488 0.005 1 719 95 SER HB2 H 3.6242 0.005 1 720 95 SER HB3 H 3.9021 0.005 1 721 95 SER H H 10.7400 0.005 1 722 95 SER N N 121.1861 0.01 1 723 96 ILE C C 177.2010 0.01 1 724 96 ILE CA C 62.2982 0.01 1 725 96 ILE CB C 36.8307 0.01 1 726 96 ILE CD1 C 13.4480 0.01 1 727 96 ILE CG1 C 29.1742 0.01 1 728 96 ILE CG2 C 17.9895 0.01 1 729 96 ILE HA H 3.9776 0.005 1 730 96 ILE HB H 2.0335 0.005 1 731 96 ILE HD1 H 0.8267 0.005 1 732 96 ILE HG12 H 1.1518 0.005 1 733 96 ILE HG13 H 1.3321 0.005 1 734 96 ILE HG2 H 0.9405 0.005 1 735 96 ILE H H 7.3530 0.005 1 736 96 ILE N N 124.5733 0.01 1 737 97 LYS C C 177.6510 0.01 1 738 97 LYS CA C 58.7002 0.01 1 739 97 LYS CB C 31.0917 0.01 1 740 97 LYS CD C 29.0696 0.01 1 741 97 LYS CE C 42.1364 0.01 1 742 97 LYS CG C 25.3028 0.01 1 743 97 LYS HA H 3.9146 0.005 1 744 97 LYS HB2 H 1.5918 0.005 1 745 97 LYS HB3 H 2.0059 0.005 1 746 97 LYS HD2 H 1.6486 0.005 1 747 97 LYS HD3 H 1.7232 0.005 1 748 97 LYS HE2 H 2.9755 0.005 1 749 97 LYS HE3 H 3.0397 0.005 1 750 97 LYS HG2 H 1.3980 0.005 1 751 97 LYS HG3 H 1.5482 0.005 1 752 97 LYS H H 6.3372 0.005 1 753 97 LYS N N 125.4055 0.01 1 754 98 ALA C C 179.0690 0.01 1 755 98 ALA CA C 54.9299 0.01 1 756 98 ALA CB C 19.0519 0.01 1 757 98 ALA HA H 3.3788 0.005 1 758 98 ALA HB H 0.7788 0.005 1 759 98 ALA H H 7.5645 0.005 1 760 98 ALA N N 121.4529 0.01 1 761 99 THR CA C 68.2417 0.01 1 762 99 THR CB C 67.9580 0.01 1 763 99 THR CG2 C 22.0067 0.01 1 764 99 THR HA H 3.4808 0.005 1 765 99 THR HB H 3.9772 0.005 1 766 99 THR HG2 H 1.0109 0.005 1 767 99 THR H H 8.8572 0.005 1 768 99 THR N N 113.8421 0.01 1 769 102 LEU C C 179.0360 0.01 1 770 102 LEU CA C 58.1164 0.01 1 771 102 LEU CB C 40.6659 0.01 1 772 102 LEU CD1 C 24.1300 0.01 1 773 102 LEU CD2 C 22.8332 0.01 1 774 102 LEU CG C 27.0740 0.01 1 775 102 LEU HA H 4.0464 0.005 1 776 102 LEU HB2 H 1.1162 0.005 1 777 102 LEU HB3 H 1.9566 0.005 1 778 102 LEU HD1 H 0.4819 0.005 1 779 102 LEU HD2 H 0.0335 0.005 1 780 102 LEU HG H 1.8947 0.005 1 781 103 LEU C C 182.0060 0.01 1 782 103 LEU CA C 58.2860 0.01 1 783 103 LEU CB C 42.3401 0.01 1 784 103 LEU CD1 C 24.6200 0.01 1 785 103 LEU HA H 4.4485 0.005 1 786 103 LEU HB2 H 1.6890 0.005 1 787 103 LEU HB3 H 1.7530 0.005 1 788 103 LEU HD1 H 0.8450 0.005 1 789 103 LEU H H 8.7245 0.005 1 790 103 LEU N N 123.7045 0.01 1 791 104 HIS C C 175.6380 0.01 1 792 104 HIS CA C 57.9376 0.01 1 793 104 HIS CB C 29.0877 0.01 1 794 104 HIS HA H 4.5034 0.005 1 795 104 HIS HB3 H 3.3786 0.005 1 796 104 HIS H H 8.3368 0.005 1 797 104 HIS N N 117.9651 0.01 1 798 105 ALA C C 176.8510 0.01 1 799 105 ALA CA C 52.0967 0.01 1 800 105 ALA CB C 19.7863 0.01 1 801 105 ALA HA H 4.5889 0.005 1 802 105 ALA HB H 1.8310 0.005 1 803 105 ALA H H 7.8443 0.005 1 804 105 ALA N N 121.1808 0.01 1 805 106 GLY C C 174.1690 0.01 1 806 106 GLY CA C 45.3154 0.01 1 807 106 GLY HA2 H 3.6463 0.005 1 808 106 GLY HA3 H 4.2892 0.005 1 809 106 GLY H H 7.7309 0.005 1 810 106 GLY N N 105.0078 0.01 1 811 107 PHE C C 176.6270 0.01 1 812 107 PHE CA C 57.5248 0.01 1 813 107 PHE CB C 36.6655 0.01 1 814 107 PHE HA H 5.0226 0.005 1 815 107 PHE HB2 H 2.8019 0.005 1 816 107 PHE HB3 H 3.0893 0.005 1 817 107 PHE H H 8.4238 0.005 1 818 107 PHE N N 121.2115 0.01 1 819 108 THR C C 176.5550 0.01 1 820 108 THR CA C 62.9776 0.01 1 821 108 THR CB C 69.3414 0.01 1 822 108 THR CG2 C 21.6736 0.01 1 823 108 THR HA H 4.2172 0.005 1 824 108 THR HB H 4.4169 0.005 1 825 108 THR HG2 H 1.1689 0.005 1 826 108 THR H H 7.6311 0.005 1 827 108 THR N N 110.4323 0.01 1 828 109 GLY C C 175.3040 0.01 1 829 109 GLY CA C 45.4763 0.01 1 830 109 GLY HA2 H 3.8357 0.005 1 831 109 GLY HA3 H 4.5026 0.005 1 832 109 GLY H H 9.9490 0.005 1 833 109 GLY N N 114.7423 0.01 1 834 110 VAL CA C 60.4216 0.01 1 835 110 VAL CB C 33.5414 0.01 1 836 110 VAL CG1 C 23.4145 0.01 1 837 110 VAL CG2 C 19.6097 0.01 1 838 110 VAL HA H 5.0680 0.005 1 839 110 VAL HB H 1.9327 0.005 1 840 110 VAL HG1 H 0.8890 0.005 1 841 110 VAL HG2 H 1.0332 0.005 1 842 110 VAL H H 6.8241 0.005 1 843 110 VAL N N 113.3878 0.01 1 844 111 LYS C C 173.3510 0.01 1 845 111 LYS CA C 55.9355 0.01 1 846 111 LYS CB C 36.4993 0.01 1 847 111 LYS HA H 4.6450 0.005 1 848 111 LYS HB2 H 1.5223 0.005 1 849 111 LYS HB3 H 1.6926 0.005 1 850 111 LYS HE3 H 2.8945 0.005 1 851 112 ASP C C 174.8210 0.01 1 852 112 ASP CA C 54.1915 0.01 1 853 112 ASP CB C 43.5816 0.01 1 854 112 ASP HA H 4.8886 0.005 1 855 112 ASP HB3 H 2.4090 0.005 1 856 112 ASP H H 8.6127 0.005 1 857 112 ASP N N 123.2051 0.01 1 858 113 ILE C C 176.2000 0.01 1 859 113 ILE CA C 60.7195 0.01 1 860 113 ILE CB C 39.5645 0.01 1 861 113 ILE CD1 C 14.1773 0.01 1 862 113 ILE CG1 C 27.1594 0.01 1 863 113 ILE CG2 C 18.4320 0.01 1 864 113 ILE HA H 4.3668 0.005 1 865 113 ILE HB H 1.6295 0.005 1 866 113 ILE HD1 H 0.0942 0.005 1 867 113 ILE HG12 H 0.2799 0.005 1 868 113 ILE HG13 H 1.4075 0.005 1 869 113 ILE HG2 H 0.7967 0.005 1 870 113 ILE H H 8.1830 0.005 1 871 113 ILE N N 123.9873 0.01 1 872 114 VAL C C 177.8650 0.01 1 873 114 VAL CA C 64.7369 0.01 1 874 114 VAL CB C 31.5973 0.01 1 875 114 VAL CG1 C 21.5965 0.01 1 876 114 VAL CG2 C 20.7090 0.01 1 877 114 VAL HA H 3.7893 0.005 1 878 114 VAL HB H 1.8270 0.005 1 879 114 VAL HG1 H 0.9039 0.005 1 880 114 VAL HG2 H 0.8741 0.005 1 881 114 VAL H H 8.9225 0.005 1 882 114 VAL N N 130.8219 0.01 1 883 115 GLY C C 175.2310 0.01 1 884 115 GLY CA C 45.4042 0.01 1 885 115 GLY HA2 H 3.5187 0.005 1 886 115 GLY HA3 H 4.2059 0.005 1 887 115 GLY H H 8.9270 0.005 1 888 115 GLY N N 116.2149 0.01 1 889 116 GLY C C 171.7780 0.01 1 890 116 GLY CA C 46.4327 0.01 1 891 116 GLY HA2 H 3.6223 0.005 1 892 116 GLY HA3 H 3.6832 0.005 1 893 116 GLY H H 7.2569 0.005 1 894 116 GLY N N 104.3891 0.01 1 895 117 TYR C C 176.8650 0.01 1 896 117 TYR CA C 61.0594 0.01 1 897 117 TYR CB C 38.7989 0.01 1 898 117 TYR HA H 4.2208 0.005 1 899 117 TYR HB2 H 2.7347 0.005 1 900 117 TYR HB3 H 3.3173 0.005 1 901 117 TYR H H 8.5540 0.005 1 902 117 TYR N N 120.3560 0.01 1 903 118 SER C C 177.4090 0.01 1 904 118 SER CA C 62.1341 0.01 1 905 118 SER CB C 63.0978 0.01 1 906 118 SER HA H 4.0785 0.005 1 907 118 SER HB3 H 3.9170 0.005 1 908 118 SER H H 9.3026 0.005 1 909 118 SER N N 112.8216 0.01 1 910 119 ALA C C 179.3070 0.01 1 911 119 ALA CA C 54.8436 0.01 1 912 119 ALA CB C 18.6832 0.01 1 913 119 ALA HA H 4.1911 0.005 1 914 119 ALA HB H 1.5053 0.005 1 915 119 ALA H H 7.3559 0.005 1 916 119 ALA N N 122.6100 0.01 1 917 120 TRP C C 177.1150 0.01 1 918 120 TRP CA C 61.0720 0.01 1 919 120 TRP CB C 29.0104 0.01 1 920 120 TRP HA H 3.6961 0.005 1 921 120 TRP HB2 H 3.4670 0.005 1 922 120 TRP HB3 H 3.1875 0.005 1 923 120 TRP HE1 H 9.96 0.005 1 924 120 TRP NE1 N 130.00 0.01 1 925 120 TRP H H 8.3946 0.005 1 926 120 TRP N N 125.3643 0.01 1 927 121 ALA C C 182.3090 0.01 1 928 121 ALA CA C 54.3438 0.01 1 929 121 ALA CB C 17.3419 0.01 1 930 121 ALA HA H 3.9753 0.005 1 931 121 ALA HB H 1.1007 0.005 1 932 121 ALA H H 8.6963 0.005 1 933 121 ALA N N 118.9329 0.01 1 934 122 LYS C C 177.7060 0.01 1 935 122 LYS CA C 58.9119 0.01 1 936 122 LYS CB C 32.3880 0.01 1 937 122 LYS CD C 29.0980 0.01 1 938 122 LYS CE C 42.1022 0.01 1 939 122 LYS CG C 25.0032 0.01 1 940 122 LYS HA H 4.0347 0.005 1 941 122 LYS HB2 H 1.8514 0.005 1 942 122 LYS HB3 H 1.9874 0.005 1 943 122 LYS HD3 H 1.6504 0.005 1 944 122 LYS HE3 H 2.9517 0.005 1 945 122 LYS HG2 H 1.4367 0.005 1 946 122 LYS HG3 H 1.4848 0.005 1 947 122 LYS H H 7.8729 0.005 1 948 122 LYS N N 120.0388 0.01 1 949 123 ASN C C 174.4610 0.01 1 950 123 ASN CA C 54.0538 0.01 1 951 123 ASN CB C 39.4840 0.01 1 952 123 ASN HA H 4.4933 0.005 1 953 123 ASN HB2 H 2.4460 0.005 1 954 123 ASN HB3 H 2.5406 0.005 1 955 123 ASN H H 7.5008 0.005 1 956 123 ASN N N 115.3109 0.01 1 957 124 GLY C C 174.2370 0.01 1 958 124 GLY CA C 46.0229 0.01 1 959 124 GLY HA3 H 3.7551 0.005 1 960 124 GLY H H 7.8037 0.005 1 961 124 GLY N N 107.4248 0.01 1 962 125 LEU CA C 53.2313 0.01 1 963 125 LEU CB C 36.4389 0.01 1 964 125 LEU CD1 C 25.4268 0.01 1 965 125 LEU CD2 C 21.4080 0.01 1 966 125 LEU CG C 26.2705 0.01 1 967 125 LEU HA H 3.9777 0.005 1 968 125 LEU HB2 H -0.0630 0.005 1 969 125 LEU HB3 H -0.0487 0.005 1 970 125 LEU HD1 H -0.2143 0.005 1 971 125 LEU HD2 H 0.0906 0.005 1 972 125 LEU HG H 0.8391 0.005 1 973 125 LEU H H 6.9634 0.005 1 974 125 LEU N N 120.9830 0.01 1 975 126 PRO C C 178.6370 0.01 1 976 126 PRO CA C 64.7919 0.01 1 977 126 PRO CB C 32.3574 0.01 1 978 126 PRO CG C 28.1130 0.01 1 979 126 PRO HA H 4.4120 0.005 1 980 126 PRO HB2 H 2.0782 0.005 1 981 126 PRO HB3 H 2.4470 0.005 1 982 126 PRO HD3 H 3.9560 0.005 1 983 126 PRO HG3 H 2.3460 0.005 1 984 127 THR C C 173.1900 0.01 1 985 127 THR CA C 60.2269 0.01 1 986 127 THR CB C 73.0780 0.01 1 987 127 THR CG2 C 22.2895 0.01 1 988 127 THR HA H 4.9472 0.005 1 989 127 THR HB H 4.1750 0.005 1 990 127 THR HG2 H 1.2923 0.005 1 991 127 THR H H 8.4362 0.005 1 992 127 THR N N 116.7526 0.01 1 993 128 LYS C C 173.2280 0.01 1 994 128 LYS CA C 55.0186 0.01 1 995 128 LYS CB C 35.2481 0.01 1 996 128 LYS CD C 28.6640 0.01 1 997 128 LYS CE C 42.0337 0.01 1 998 128 LYS CG C 24.0603 0.01 1 999 128 LYS HA H 4.3821 0.005 1 1000 128 LYS HB2 H 1.5006 0.005 1 1001 128 LYS HB3 H 1.5120 0.005 1 1002 128 LYS HD3 H 1.7191 0.005 1 1003 128 LYS HE3 H 3.0115 0.005 1 1004 128 LYS HG2 H 1.2433 0.005 1 1005 128 LYS HG3 H 1.3362 0.005 1 1006 128 LYS H H 8.7448 0.005 1 1007 128 LYS N N 121.0808 0.01 1 1008 129 ALA CA C 53.1701 0.01 1 1009 129 ALA CB C 20.7636 0.01 1 1010 129 ALA HA H 3.8622 0.005 1 1011 129 ALA HB H 1.1615 0.005 1 1012 129 ALA H H 7.7507 0.005 1 1013 129 ALA N N 129.8450 0.01 1 stop_ save_