data_15681 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CPAP PN2-3 module ; _BMRB_accession_number 15681 _BMRB_flat_file_name bmr15681.str _Entry_type original _Submission_date 2008-03-14 _Accession_date 2008-03-14 _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 Savarin Philippe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 681 "13C chemical shifts" 483 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-06 update BMRB 'correct pressure' 2009-08-13 update BMRB 'added PubMed ID' 2008-12-02 update BMRB 'complete entry citation' 2008-07-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of PN2-3, a tubulin interaction subdomain of the CPAP protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636883 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clement Marie-Jeanne . . 2 Savarin Philippe . . 3 Coutant Jerome . . 4 Toma Flavio . . 5 Curmi Patrick . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 115 _Page_last 117 _Year 2008 _Details . loop_ _Keyword centrosome CPAP tubulin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PN2-3 module' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PN2-3 $CPAP_PN2-3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CPAP_PN2-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CPAP_PN2-3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; AQKHDDSSEVANIEERPIKA AIGERKQTFEDYLEEQIQLE EQELKQKQLKEAEGPLPIKA KPKQPFLKRGEGLARFTNAK SKFQKGKESKLVTNQSTSED QPLFKMDRQQLQR ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLN 3 LYS 4 HIS 5 ASP 6 ASP 7 SER 8 SER 9 GLU 10 VAL 11 ALA 12 ASN 13 ILE 14 GLU 15 GLU 16 ARG 17 PRO 18 ILE 19 LYS 20 ALA 21 ALA 22 ILE 23 GLY 24 GLU 25 ARG 26 LYS 27 GLN 28 THR 29 PHE 30 GLU 31 ASP 32 TYR 33 LEU 34 GLU 35 GLU 36 GLN 37 ILE 38 GLN 39 LEU 40 GLU 41 GLU 42 GLN 43 GLU 44 LEU 45 LYS 46 GLN 47 LYS 48 GLN 49 LEU 50 LYS 51 GLU 52 ALA 53 GLU 54 GLY 55 PRO 56 LEU 57 PRO 58 ILE 59 LYS 60 ALA 61 LYS 62 PRO 63 LYS 64 GLN 65 PRO 66 PHE 67 LEU 68 LYS 69 ARG 70 GLY 71 GLU 72 GLY 73 LEU 74 ALA 75 ARG 76 PHE 77 THR 78 ASN 79 ALA 80 LYS 81 SER 82 LYS 83 PHE 84 GLN 85 LYS 86 GLY 87 LYS 88 GLU 89 SER 90 LYS 91 LEU 92 VAL 93 THR 94 ASN 95 GLN 96 SER 97 THR 98 SER 99 GLU 100 ASP 101 GLN 102 PRO 103 LEU 104 PHE 105 LYS 106 MET 107 ASP 108 ARG 109 GLN 110 GLN 111 LEU 112 GLN 113 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 DBJ BAF85095 "unnamed protein product [Homo sapiens]" 99.12 1338 100.00 100.00 1.75e-64 EMBL CAI46195 "hypothetical protein [Homo sapiens]" 99.12 1086 100.00 100.00 2.42e-65 GB AAG21074 "centrosomal P4.1-associated protein [Homo sapiens]" 99.12 1338 100.00 100.00 1.65e-64 GB AAH92467 "CENPJ protein, partial [Homo sapiens]" 54.87 375 100.00 100.00 1.04e-30 GB AAI13111 "Centromere protein J [Homo sapiens]" 99.12 1338 100.00 100.00 1.65e-64 GB AAI13112 "CENPJ protein [Homo sapiens]" 99.12 1136 100.00 100.00 4.01e-65 GB AAI13663 "Centromere protein J [Homo sapiens]" 99.12 1338 100.00 100.00 1.65e-64 REF NP_001029343 "centromere protein J [Pan troglodytes]" 99.12 1338 100.00 100.00 1.79e-64 REF NP_060921 "centromere protein J [Homo sapiens]" 99.12 1338 100.00 100.00 1.65e-64 REF XP_003273172 "PREDICTED: centromere protein J [Nomascus leucogenys]" 99.12 1338 98.21 99.11 3.13e-63 REF XP_003273173 "PREDICTED: centromere protein J [Nomascus leucogenys]" 99.12 1338 98.21 99.11 3.13e-63 REF XP_003812656 "PREDICTED: centromere protein J [Pan paniscus]" 99.12 1338 100.00 100.00 1.74e-64 SP Q5BQN8 "RecName: Full=Centromere protein J; Short=CENP-J [Pan troglodytes]" 99.12 1338 100.00 100.00 1.79e-64 SP Q9HC77 "RecName: Full=Centromere protein J; Short=CENP-J; AltName: Full=Centrosomal P4.1-associated protein; AltName: Full=LAG-3-associ" 99.12 1338 100.00 100.00 1.65e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CPAP_PN2-3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CPAP_PN2-3 'recombinant technology' . Escherichia coli BLR pet16b 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 $CPAP_PN2-3 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details linux save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.8 . pH pressure 1 . atm temperature 293 . 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 TSP C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D H(CCO)NH' '3D HNCACB' '3D HNCO' 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 PN2-3 _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 ALA C C 178.800 0.1 1 2 1 1 ALA CB C 20.935 0.1 1 3 2 2 GLN H H 8.400 0.01 1 4 2 2 GLN HA H 4.330 0.01 1 5 2 2 GLN HB2 H 2.090 0.01 2 6 2 2 GLN HB3 H 2.090 0.01 2 7 2 2 GLN HG2 H 2.350 0.01 2 8 2 2 GLN HG3 H 2.350 0.01 2 9 2 2 GLN C C 176.060 0.1 1 10 2 2 GLN CA C 56.348 0.1 1 11 2 2 GLN CB C 29.581 0.1 1 12 2 2 GLN CG C 33.565 0.1 1 13 2 2 GLN N N 119.700 0.1 1 14 3 3 LYS H H 8.580 0.01 1 15 3 3 LYS HA H 4.300 0.01 1 16 3 3 LYS HB2 H 1.780 0.01 2 17 3 3 LYS HB3 H 1.780 0.01 2 18 3 3 LYS HG2 H 1.430 0.01 2 19 3 3 LYS HG3 H 1.430 0.01 2 20 3 3 LYS C C 175.220 0.1 1 21 3 3 LYS CA C 56.648 0.1 1 22 3 3 LYS CB C 33.193 0.1 1 23 3 3 LYS CD C 28.295 0.1 1 24 3 3 LYS CG C 24.605 0.1 1 25 3 3 LYS N N 122.440 0.1 1 26 4 4 HIS H H 8.430 0.01 1 27 4 4 HIS HA H 4.608 0.01 1 28 4 4 HIS HB2 H 3.201 0.01 2 29 4 4 HIS HB3 H 3.201 0.01 2 30 4 4 HIS HD2 H 7.210 0.01 1 31 4 4 HIS HE1 H 8.495 0.01 1 32 4 4 HIS C C 174.630 0.1 1 33 4 4 HIS CA C 56.648 0.1 1 34 4 4 HIS CB C 30.114 0.1 1 35 4 4 HIS CD2 C 120.230 0.1 1 36 4 4 HIS CE1 C 137.400 0.1 1 37 4 4 HIS N N 121.340 0.1 1 38 5 5 ASP H H 8.330 0.01 1 39 5 5 ASP HA H 4.600 0.01 1 40 5 5 ASP HB2 H 2.650 0.01 2 41 5 5 ASP HB3 H 2.650 0.01 2 42 5 5 ASP C C 176.150 0.1 1 43 5 5 ASP CA C 54.381 0.1 1 44 5 5 ASP CB C 41.134 0.1 1 45 5 5 ASP N N 120.090 0.1 1 46 6 6 ASP H H 8.456 0.01 1 47 6 6 ASP HA H 4.647 0.01 1 48 6 6 ASP HB2 H 2.680 0.01 2 49 6 6 ASP HB3 H 2.680 0.01 2 50 6 6 ASP C C 176.970 0.1 1 51 6 6 ASP CA C 54.381 0.1 1 52 6 6 ASP CB C 41.134 0.1 1 53 6 6 ASP N N 120.484 0.1 1 54 7 7 SER H H 8.438 0.01 1 55 7 7 SER HA H 4.472 0.01 1 56 7 7 SER HB2 H 3.953 0.01 2 57 7 7 SER HB3 H 3.953 0.01 2 58 7 7 SER C C 175.220 0.1 1 59 7 7 SER CA C 59.216 0.1 1 60 7 7 SER CB C 63.853 0.1 1 61 7 7 SER N N 115.210 0.1 1 62 8 8 SER H H 8.383 0.01 1 63 8 8 SER HA H 4.491 0.01 1 64 8 8 SER HB2 H 3.905 0.01 2 65 8 8 SER HB3 H 3.905 0.01 2 66 8 8 SER C C 175.220 0.1 1 67 8 8 SER CA C 58.667 0.1 1 68 8 8 SER CB C 63.822 0.1 1 69 8 8 SER N N 116.578 0.1 1 70 9 9 GLU H H 8.491 0.01 1 71 9 9 GLU HA H 4.295 0.01 1 72 9 9 GLU HB2 H 1.951 0.01 2 73 9 9 GLU HB3 H 2.107 0.01 2 74 9 9 GLU HG2 H 2.264 0.01 2 75 9 9 GLU HG3 H 2.264 0.01 2 76 9 9 GLU C C 176.970 0.1 1 77 9 9 GLU CA C 56.775 0.1 1 78 9 9 GLU CB C 30.185 0.1 1 79 9 9 GLU CG C 35.565 0.1 1 80 9 9 GLU N N 121.340 0.1 1 81 10 10 VAL H H 8.117 0.01 1 82 10 10 VAL HA H 4.110 0.01 1 83 10 10 VAL HB H 2.107 0.01 1 84 10 10 VAL HG1 H 0.955 0.01 2 85 10 10 VAL HG2 H 0.955 0.01 2 86 10 10 VAL C C 176.270 0.1 1 87 10 10 VAL CA C 62.257 0.1 1 88 10 10 VAL CB C 32.642 0.1 1 89 10 10 VAL CG1 C 20.955 0.1 1 90 10 10 VAL CG2 C 20.955 0.1 1 91 10 10 VAL N N 119.668 0.1 1 92 11 11 ALA H H 8.368 0.01 1 93 11 11 ALA HA H 4.335 0.01 1 94 11 11 ALA HB H 1.395 0.01 1 95 11 11 ALA C C 177.790 0.1 1 96 11 11 ALA CA C 52.674 0.1 1 97 11 11 ALA CB C 19.415 0.1 1 98 11 11 ALA N N 126.296 0.1 1 99 12 12 ASN H H 8.431 0.01 1 100 12 12 ASN HA H 4.725 0.01 1 101 12 12 ASN HB2 H 2.753 0.01 2 102 12 12 ASN HB3 H 2.850 0.01 2 103 12 12 ASN HD21 H 7.650 0.01 2 104 12 12 ASN HD22 H 6.960 0.01 2 105 12 12 ASN C C 175.570 0.1 1 106 12 12 ASN CA C 52.929 0.1 1 107 12 12 ASN CB C 38.851 0.1 1 108 12 12 ASN CG C 177.660 0.1 1 109 12 12 ASN N N 117.287 0.1 1 110 12 12 ASN ND2 N 111.800 0.1 1 111 13 13 ILE H H 8.173 0.01 1 112 13 13 ILE HA H 4.217 0.01 1 113 13 13 ILE HB H 1.893 0.01 1 114 13 13 ILE HD1 H 0.936 0.01 1 115 13 13 ILE HG12 H 1.209 0.01 1 116 13 13 ILE HG13 H 1.453 0.01 1 117 13 13 ILE HG2 H 0.936 0.01 1 118 13 13 ILE C C 176.620 0.1 1 119 13 13 ILE CA C 61.513 0.1 1 120 13 13 ILE CB C 38.799 0.1 1 121 13 13 ILE CG1 C 26.945 0.1 1 122 13 13 ILE CG2 C 17.635 0.1 1 123 13 13 ILE N N 120.216 0.1 1 124 14 14 GLU H H 8.490 0.01 1 125 14 14 GLU HA H 4.290 0.01 1 126 14 14 GLU HB2 H 1.990 0.01 2 127 14 14 GLU HB3 H 1.990 0.01 2 128 14 14 GLU HG2 H 2.270 0.01 2 129 14 14 GLU HG3 H 2.270 0.01 2 130 14 14 GLU C C 176.900 0.1 1 131 14 14 GLU CA C 56.539 0.1 1 132 14 14 GLU CB C 30.289 0.1 1 133 14 14 GLU CG C 35.915 0.1 1 134 14 14 GLU N N 123.220 0.1 1 135 15 15 GLU H H 8.447 0.01 1 136 15 15 GLU HA H 4.390 0.01 1 137 15 15 GLU HB2 H 2.020 0.01 2 138 15 15 GLU HB3 H 2.020 0.01 2 139 15 15 GLU HG2 H 2.392 0.01 2 140 15 15 GLU HG3 H 2.392 0.01 2 141 15 15 GLU C C 176.740 0.1 1 142 15 15 GLU CA C 56.372 0.1 1 143 15 15 GLU CB C 29.377 0.1 1 144 15 15 GLU CG C 36.595 0.1 1 145 15 15 GLU N N 119.700 0.1 1 146 16 16 ARG H H 8.380 0.01 1 147 16 16 ARG HA H 4.590 0.01 1 148 16 16 ARG HB2 H 1.780 0.01 2 149 16 16 ARG HB3 H 1.780 0.01 2 150 16 16 ARG HG2 H 1.720 0.01 2 151 16 16 ARG HG3 H 1.720 0.01 2 152 16 16 ARG CA C 54.095 0.1 1 153 16 16 ARG CB C 30.165 0.1 1 154 16 16 ARG N N 121.260 0.1 1 155 17 17 PRO HA H 4.471 0.01 1 156 17 17 PRO HB2 H 1.990 0.01 2 157 17 17 PRO HB3 H 2.312 0.01 2 158 17 17 PRO HD2 H 3.700 0.01 2 159 17 17 PRO HD3 H 3.700 0.01 2 160 17 17 PRO HG2 H 1.990 0.01 2 161 17 17 PRO HG3 H 1.990 0.01 2 162 17 17 PRO C C 177.440 0.1 1 163 17 17 PRO CA C 63.495 0.1 1 164 17 17 PRO CB C 31.585 0.1 1 165 17 17 PRO CD C 50.835 0.1 1 166 17 17 PRO CG C 26.935 0.1 1 167 18 18 ILE H H 8.299 0.01 1 168 18 18 ILE HA H 4.139 0.01 1 169 18 18 ILE HB H 1.873 0.01 1 170 18 18 ILE HG12 H 1.233 0.01 1 171 18 18 ILE HG13 H 1.247 0.01 1 172 18 18 ILE HG2 H 0.936 0.01 1 173 18 18 ILE C C 176.740 0.1 1 174 18 18 ILE CA C 61.279 0.1 1 175 18 18 ILE CB C 38.684 0.1 1 176 18 18 ILE CG1 C 25.595 0.1 1 177 18 18 ILE CG2 C 17.635 0.1 1 178 18 18 ILE N N 120.350 0.1 1 179 19 19 LYS H H 8.393 0.01 1 180 19 19 LYS HA H 4.315 0.01 1 181 19 19 LYS HB2 H 1.757 0.01 2 182 19 19 LYS HB3 H 1.835 0.01 2 183 19 19 LYS HD2 H 1.730 0.01 2 184 19 19 LYS HD3 H 1.730 0.01 2 185 19 19 LYS HE2 H 3.050 0.01 2 186 19 19 LYS HE3 H 3.050 0.01 2 187 19 19 LYS HG2 H 1.463 0.01 2 188 19 19 LYS HG3 H 1.463 0.01 2 189 19 19 LYS C C 176.510 0.1 1 190 19 19 LYS CA C 56.133 0.1 1 191 19 19 LYS CB C 33.051 0.1 1 192 19 19 LYS CD C 29.255 0.1 1 193 19 19 LYS CG C 24.595 0.1 1 194 19 19 LYS N N 124.612 0.1 1 195 20 20 ALA H H 8.326 0.01 1 196 20 20 ALA HA H 4.295 0.01 1 197 20 20 ALA HB H 1.386 0.01 1 198 20 20 ALA C C 177.790 0.1 1 199 20 20 ALA CA C 52.391 0.1 1 200 20 20 ALA CB C 19.183 0.1 1 201 20 20 ALA N N 124.782 0.1 1 202 21 21 ALA H H 8.363 0.01 1 203 21 21 ALA HA H 4.354 0.01 1 204 21 21 ALA HB H 1.405 0.01 1 205 21 21 ALA C C 178.380 0.1 1 206 21 21 ALA CA C 52.391 0.1 1 207 21 21 ALA CB C 19.183 0.1 1 208 21 21 ALA N N 122.841 0.1 1 209 22 22 ILE H H 8.189 0.01 1 210 22 22 ILE HA H 4.141 0.01 1 211 22 22 ILE HB H 1.894 0.01 1 212 22 22 ILE HD1 H 0.820 0.01 1 213 22 22 ILE HG12 H 1.260 0.01 1 214 22 22 ILE HG13 H 1.570 0.01 1 215 22 22 ILE HG2 H 0.955 0.01 1 216 22 22 ILE C C 177.220 0.1 1 217 22 22 ILE CA C 61.561 0.1 1 218 22 22 ILE CB C 38.760 0.1 1 219 22 22 ILE CG1 C 27.265 0.1 1 220 22 22 ILE CG2 C 17.635 0.1 1 221 22 22 ILE N N 119.117 0.1 1 222 23 23 GLY H H 8.492 0.01 1 223 23 23 GLY HA2 H 3.983 0.01 2 224 23 23 GLY HA3 H 3.983 0.01 2 225 23 23 GLY C C 174.630 0.1 1 226 23 23 GLY CA C 45.184 0.1 1 227 23 23 GLY N N 111.378 0.1 1 228 24 24 GLU H H 8.255 0.01 1 229 24 24 GLU HA H 4.314 0.01 1 230 24 24 GLU HB2 H 2.050 0.01 2 231 24 24 GLU HB3 H 2.050 0.01 2 232 24 24 GLU HG2 H 2.283 0.01 2 233 24 24 GLU HG3 H 2.283 0.01 2 234 24 24 GLU C C 176.740 0.1 1 235 24 24 GLU CA C 56.841 0.1 1 236 24 24 GLU CB C 28.931 0.1 1 237 24 24 GLU CG C 36.555 0.1 1 238 24 24 GLU N N 119.581 0.1 1 239 25 25 ARG H H 8.430 0.01 1 240 25 25 ARG HA H 4.340 0.01 1 241 25 25 ARG HB2 H 1.840 0.01 2 242 25 25 ARG HB3 H 1.840 0.01 2 243 25 25 ARG HD2 H 3.220 0.01 2 244 25 25 ARG HD3 H 3.220 0.01 2 245 25 25 ARG HG2 H 1.660 0.01 2 246 25 25 ARG HG3 H 1.660 0.01 2 247 25 25 ARG C C 176.390 0.1 1 248 25 25 ARG CA C 56.306 0.1 1 249 25 25 ARG CB C 30.550 0.1 1 250 25 25 ARG CD C 43.535 0.1 1 251 25 25 ARG CG C 26.925 0.1 1 252 25 25 ARG N N 121.260 0.1 1 253 26 26 LYS H H 8.475 0.01 1 254 26 26 LYS HA H 4.310 0.01 1 255 26 26 LYS HB2 H 1.770 0.01 2 256 26 26 LYS HB3 H 1.810 0.01 2 257 26 26 LYS HD2 H 1.690 0.01 2 258 26 26 LYS HD3 H 1.690 0.01 2 259 26 26 LYS HE2 H 3.020 0.01 2 260 26 26 LYS HE3 H 3.020 0.01 2 261 26 26 LYS HG2 H 1.460 0.01 2 262 26 26 LYS HG3 H 1.460 0.01 2 263 26 26 LYS C C 176.860 0.1 1 264 26 26 LYS CA C 56.382 0.1 1 265 26 26 LYS CB C 32.971 0.1 1 266 26 26 LYS CD C 29.255 0.1 1 267 26 26 LYS CG C 24.605 0.1 1 268 26 26 LYS N N 122.240 0.1 1 269 27 27 GLN H H 8.530 0.01 1 270 27 27 GLN HA H 4.413 0.01 1 271 27 27 GLN HB2 H 2.029 0.01 2 272 27 27 GLN HB3 H 2.029 0.01 2 273 27 27 GLN HG2 H 2.343 0.01 2 274 27 27 GLN HG3 H 2.343 0.01 2 275 27 27 GLN C C 176.380 0.1 1 276 27 27 GLN CA C 56.375 0.1 1 277 27 27 GLN CB C 29.811 0.1 1 278 27 27 GLN CG C 33.905 0.1 1 279 27 27 GLN N N 120.870 0.1 1 280 28 28 THR H H 8.379 0.01 1 281 28 28 THR HA H 4.410 0.01 1 282 28 28 THR HB H 4.350 0.01 1 283 28 28 THR HG2 H 1.209 0.01 1 284 28 28 THR C C 174.980 0.1 1 285 28 28 THR CA C 61.563 0.1 1 286 28 28 THR CB C 70.252 0.1 1 287 28 28 THR CG2 C 21.945 0.1 1 288 28 28 THR N N 114.210 0.1 1 289 29 29 PHE H H 8.515 0.01 1 290 29 29 PHE HA H 4.588 0.01 1 291 29 29 PHE HB2 H 3.124 0.01 2 292 29 29 PHE HB3 H 3.124 0.01 2 293 29 29 PHE HD1 H 7.280 0.01 3 294 29 29 PHE HD2 H 7.280 0.01 3 295 29 29 PHE HE1 H 7.385 0.01 3 296 29 29 PHE HE2 H 7.385 0.01 3 297 29 29 PHE HZ H 7.310 0.01 1 298 29 29 PHE C C 176.510 0.1 1 299 29 29 PHE CA C 58.698 0.1 1 300 29 29 PHE CB C 39.053 0.1 1 301 29 29 PHE CD1 C 131.815 0.1 3 302 29 29 PHE CD2 C 131.815 0.1 3 303 29 29 PHE CE1 C 131.865 0.1 3 304 29 29 PHE CE2 C 131.865 0.1 3 305 29 29 PHE CZ C 129.595 0.1 1 306 29 29 PHE N N 120.803 0.1 1 307 30 30 GLU H H 8.515 0.01 1 308 30 30 GLU HA H 4.119 0.01 1 309 30 30 GLU HB2 H 1.932 0.01 2 310 30 30 GLU HB3 H 2.049 0.01 2 311 30 30 GLU HG2 H 2.262 0.01 2 312 30 30 GLU HG3 H 1.932 0.01 2 313 30 30 GLU C C 177.330 0.1 1 314 30 30 GLU CA C 58.011 0.1 1 315 30 30 GLU CB C 29.899 0.1 1 316 30 30 GLU CG C 36.655 0.1 1 317 30 30 GLU N N 119.545 0.1 1 318 31 31 ASP H H 8.148 0.01 1 319 31 31 ASP HA H 4.491 0.01 1 320 31 31 ASP HB2 H 2.674 0.01 2 321 31 31 ASP HB3 H 2.674 0.01 2 322 31 31 ASP C C 177.320 0.1 1 323 31 31 ASP CA C 55.293 0.1 1 324 31 31 ASP CB C 41.136 0.1 1 325 31 31 ASP N N 119.411 0.1 1 326 32 32 TYR H H 8.071 0.01 1 327 32 32 TYR HA H 4.461 0.01 1 328 32 32 TYR HB2 H 3.086 0.01 2 329 32 32 TYR HB3 H 3.086 0.01 2 330 32 32 TYR HD1 H 7.108 0.01 3 331 32 32 TYR HD2 H 7.108 0.01 3 332 32 32 TYR HE1 H 6.850 0.01 3 333 32 32 TYR HE2 H 6.850 0.01 3 334 32 32 TYR C C 176.740 0.1 1 335 32 32 TYR CA C 58.930 0.1 1 336 32 32 TYR CB C 38.222 0.1 1 337 32 32 TYR CD1 C 132.030 0.1 3 338 32 32 TYR CD2 C 132.030 0.1 3 339 32 32 TYR CE1 C 118.425 0.1 3 340 32 32 TYR CE2 C 118.425 0.1 3 341 32 32 TYR N N 119.595 0.1 1 342 33 33 LEU H H 8.087 0.01 1 343 33 33 LEU HA H 4.119 0.01 1 344 33 33 LEU HB2 H 1.620 0.01 2 345 33 33 LEU HB3 H 1.620 0.01 2 346 33 33 LEU HD1 H 0.877 0.01 2 347 33 33 LEU HD2 H 0.877 0.01 2 348 33 33 LEU HG H 1.483 0.01 1 349 33 33 LEU C C 178.380 0.1 1 350 33 33 LEU CA C 56.197 0.1 1 351 33 33 LEU CB C 42.215 0.1 1 352 33 33 LEU CD1 C 24.600 0.1 1 353 33 33 LEU CD2 C 23.940 0.1 1 354 33 33 LEU CG C 26.925 0.1 1 355 33 33 LEU N N 121.658 0.1 1 356 34 34 GLU H H 8.150 0.01 1 357 34 34 GLU HA H 4.150 0.01 1 358 34 34 GLU HB2 H 2.060 0.01 2 359 34 34 GLU HB3 H 2.060 0.01 2 360 34 34 GLU HG2 H 2.320 0.01 2 361 34 34 GLU HG3 H 2.320 0.01 2 362 34 34 GLU C C 177.910 0.1 1 363 34 34 GLU CA C 57.475 0.1 1 364 34 34 GLU CB C 29.735 0.1 1 365 34 34 GLU CG C 35.895 0.1 1 366 34 34 GLU N N 119.500 0.1 1 367 35 35 GLU H H 8.250 0.01 1 368 35 35 GLU HA H 4.180 0.01 1 369 35 35 GLU HB2 H 2.000 0.01 2 370 35 35 GLU HB3 H 2.000 0.01 2 371 35 35 GLU HG2 H 2.270 0.01 2 372 35 35 GLU HG3 H 2.270 0.01 2 373 35 35 GLU C C 177.280 0.1 1 374 35 35 GLU CA C 58.572 0.1 1 375 35 35 GLU CB C 29.637 0.1 1 376 35 35 GLU CG C 36.225 0.1 1 377 35 35 GLU N N 119.500 0.1 1 378 36 36 GLN H H 8.330 0.01 1 379 36 36 GLN HA H 4.178 0.01 1 380 36 36 GLN HB2 H 2.150 0.01 2 381 36 36 GLN HB3 H 2.150 0.01 2 382 36 36 GLN HG2 H 2.480 0.01 2 383 36 36 GLN HG3 H 2.480 0.01 2 384 36 36 GLN C C 177.560 0.1 1 385 36 36 GLN CA C 56.803 0.1 1 386 36 36 GLN CB C 28.938 0.1 1 387 36 36 GLN CG C 35.565 0.1 1 388 36 36 GLN N N 118.340 0.1 1 389 37 37 ILE H H 8.126 0.01 1 390 37 37 ILE HA H 4.002 0.01 1 391 37 37 ILE HB H 1.892 0.01 1 392 37 37 ILE HD1 H 0.917 0.01 1 393 37 37 ILE HG12 H 1.190 0.01 1 394 37 37 ILE HG2 H 0.917 0.01 1 395 37 37 ILE C C 177.910 0.1 1 396 37 37 ILE CA C 62.925 0.1 1 397 37 37 ILE CB C 38.345 0.1 1 398 37 37 ILE CG1 C 28.255 0.1 1 399 37 37 ILE CG2 C 17.305 0.1 1 400 37 37 ILE N N 120.534 0.1 1 401 38 38 GLN H H 8.380 0.01 1 402 38 38 GLN HA H 4.280 0.01 1 403 38 38 GLN HB2 H 2.090 0.01 2 404 38 38 GLN HB3 H 2.090 0.01 2 405 38 38 GLN HG2 H 2.430 0.01 2 406 38 38 GLN HG3 H 2.430 0.01 2 407 38 38 GLN C C 177.560 0.1 1 408 38 38 GLN CA C 56.905 0.1 1 409 38 38 GLN CB C 29.187 0.1 1 410 38 38 GLN CG C 33.555 0.1 1 411 38 38 GLN N N 121.260 0.1 1 412 39 39 LEU H H 8.270 0.01 1 413 39 39 LEU HA H 4.270 0.01 1 414 39 39 LEU HB2 H 1.680 0.01 2 415 39 39 LEU HB3 H 1.680 0.01 2 416 39 39 LEU HD1 H 0.930 0.01 2 417 39 39 LEU HD2 H 0.930 0.01 2 418 39 39 LEU HG H 1.620 0.01 1 419 39 39 LEU C C 178.380 0.1 1 420 39 39 LEU CA C 56.505 0.1 1 421 39 39 LEU CB C 42.344 0.1 1 422 39 39 LEU CD1 C 24.940 0.1 1 423 39 39 LEU CD2 C 23.270 0.1 1 424 39 39 LEU CG C 26.925 0.1 1 425 39 39 LEU N N 121.650 0.1 1 426 40 40 GLU H H 8.400 0.01 1 427 40 40 GLU HA H 4.200 0.01 1 428 40 40 GLU HB2 H 2.090 0.01 2 429 40 40 GLU HB3 H 2.090 0.01 2 430 40 40 GLU HG2 H 2.370 0.01 2 431 40 40 GLU HG3 H 2.370 0.01 2 432 40 40 GLU C C 177.680 0.1 1 433 40 40 GLU CA C 57.975 0.1 1 434 40 40 GLU CB C 29.105 0.1 1 435 40 40 GLU CG C 36.225 0.1 1 436 40 40 GLU N N 119.700 0.1 1 437 41 41 GLU H H 8.255 0.01 1 438 41 41 GLU HA H 4.180 0.01 1 439 41 41 GLU HB2 H 2.050 0.01 2 440 41 41 GLU HB3 H 2.050 0.01 2 441 41 41 GLU HG2 H 2.300 0.01 2 442 41 41 GLU HG3 H 2.300 0.01 2 443 41 41 GLU C C 178.400 0.1 1 444 41 41 GLU CA C 57.000 0.1 1 445 41 41 GLU CB C 29.195 0.1 1 446 41 41 GLU CG C 35.895 0.1 1 447 41 41 GLU N N 118.920 0.1 1 448 42 42 GLN H H 8.370 0.01 1 449 42 42 GLN HA H 4.200 0.01 1 450 42 42 GLN HB2 H 2.050 0.01 2 451 42 42 GLN HB3 H 2.050 0.01 2 452 42 42 GLN HG2 H 2.390 0.01 2 453 42 42 GLN HG3 H 2.390 0.01 2 454 42 42 GLN C C 177.910 0.1 1 455 42 42 GLN CA C 57.895 0.1 1 456 42 42 GLN CB C 28.595 0.1 1 457 42 42 GLN CG C 33.575 0.1 1 458 42 42 GLN N N 119.510 0.1 1 459 43 43 GLU H H 8.320 0.01 1 460 43 43 GLU HA H 4.200 0.01 1 461 43 43 GLU HB2 H 2.070 0.01 2 462 43 43 GLU HB3 H 2.070 0.01 2 463 43 43 GLU HG2 H 2.320 0.01 2 464 43 43 GLU HG3 H 2.320 0.01 2 465 43 43 GLU C C 178.490 0.1 1 466 43 43 GLU CA C 57.745 0.1 1 467 43 43 GLU CB C 29.095 0.1 1 468 43 43 GLU CG C 35.565 0.1 1 469 43 43 GLU N N 119.510 0.1 1 470 44 44 LEU H H 8.115 0.01 1 471 44 44 LEU HA H 4.320 0.01 1 472 44 44 LEU HB2 H 1.650 0.01 2 473 44 44 LEU HB3 H 1.650 0.01 2 474 44 44 LEU HD1 H 0.920 0.01 2 475 44 44 LEU HD2 H 0.920 0.01 2 476 44 44 LEU HG H 1.650 0.01 1 477 44 44 LEU C C 178.960 0.1 1 478 44 44 LEU CA C 56.436 0.1 1 479 44 44 LEU CB C 42.052 0.1 1 480 44 44 LEU CD1 C 24.600 0.1 1 481 44 44 LEU CD2 C 23.940 0.1 1 482 44 44 LEU CG C 26.925 0.1 1 483 44 44 LEU N N 120.480 0.1 1 484 45 45 LYS H H 8.134 0.01 1 485 45 45 LYS HA H 4.180 0.01 1 486 45 45 LYS HB2 H 1.890 0.01 2 487 45 45 LYS HB3 H 1.890 0.01 2 488 45 45 LYS HD2 H 1.680 0.01 2 489 45 45 LYS HD3 H 1.680 0.01 2 490 45 45 LYS HE2 H 3.000 0.01 2 491 45 45 LYS HE3 H 3.000 0.01 2 492 45 45 LYS HG2 H 1.520 0.01 2 493 45 45 LYS HG3 H 1.520 0.01 2 494 45 45 LYS C C 178.380 0.1 1 495 45 45 LYS CA C 57.595 0.1 1 496 45 45 LYS CB C 32.256 0.1 1 497 45 45 LYS CD C 28.925 0.1 1 498 45 45 LYS CG C 24.935 0.1 1 499 45 45 LYS N N 119.310 0.1 1 500 46 46 GLN H H 8.163 0.01 1 501 46 46 GLN HA H 4.220 0.01 1 502 46 46 GLN HB2 H 2.140 0.01 2 503 46 46 GLN HB3 H 2.140 0.01 2 504 46 46 GLN HG2 H 2.470 0.01 2 505 46 46 GLN HG3 H 2.470 0.01 2 506 46 46 GLN C C 177.680 0.1 1 507 46 46 GLN CA C 56.751 0.1 1 508 46 46 GLN CB C 28.888 0.1 1 509 46 46 GLN CG C 33.265 0.1 1 510 46 46 GLN N N 117.950 0.1 1 511 47 47 LYS H H 8.190 0.01 1 512 47 47 LYS HA H 4.240 0.01 1 513 47 47 LYS HB2 H 1.880 0.01 2 514 47 47 LYS HB3 H 1.880 0.01 2 515 47 47 LYS HD2 H 1.650 0.01 2 516 47 47 LYS HD3 H 1.650 0.01 2 517 47 47 LYS HE2 H 2.990 0.01 2 518 47 47 LYS HE3 H 2.990 0.01 2 519 47 47 LYS HG2 H 1.490 0.01 2 520 47 47 LYS HG3 H 1.490 0.01 2 521 47 47 LYS C C 178.260 0.1 1 522 47 47 LYS CA C 57.935 0.1 1 523 47 47 LYS CB C 32.470 0.1 1 524 47 47 LYS CD C 29.255 0.1 1 525 47 47 LYS CG C 24.935 0.1 1 526 47 47 LYS N N 120.200 0.1 1 527 48 48 GLN H H 8.270 0.01 1 528 48 48 GLN HA H 4.270 0.01 1 529 48 48 GLN HB2 H 2.100 0.01 2 530 48 48 GLN HB3 H 2.100 0.01 2 531 48 48 GLN HG2 H 2.420 0.01 2 532 48 48 GLN HG3 H 2.420 0.01 2 533 48 48 GLN C C 177.380 0.1 1 534 48 48 GLN CA C 56.826 0.1 1 535 48 48 GLN CB C 28.944 0.1 1 536 48 48 GLN CG C 34.035 0.1 1 537 48 48 GLN N N 118.720 0.1 1 538 49 49 LEU H H 8.125 0.01 1 539 49 49 LEU HA H 4.280 0.01 1 540 49 49 LEU HB2 H 1.640 0.01 2 541 49 49 LEU HB3 H 1.640 0.01 2 542 49 49 LEU HD1 H 0.930 0.01 2 543 49 49 LEU HD2 H 0.930 0.01 2 544 49 49 LEU HG H 1.640 0.01 1 545 49 49 LEU C C 178.500 0.1 1 546 49 49 LEU CA C 56.249 0.1 1 547 49 49 LEU CB C 42.170 0.1 1 548 49 49 LEU CD1 C 25.595 0.1 1 549 49 49 LEU CD2 C 25.595 0.1 1 550 49 49 LEU CG C 27.285 0.1 1 551 49 49 LEU N N 121.260 0.1 1 552 50 50 LYS H H 8.185 0.01 1 553 50 50 LYS HA H 4.260 0.01 1 554 50 50 LYS HB2 H 1.880 0.01 2 555 50 50 LYS HB3 H 1.880 0.01 2 556 50 50 LYS HD2 H 1.650 0.01 2 557 50 50 LYS HD3 H 1.650 0.01 2 558 50 50 LYS HE2 H 2.990 0.01 2 559 50 50 LYS HE3 H 2.990 0.01 2 560 50 50 LYS HG2 H 1.510 0.01 2 561 50 50 LYS HG3 H 1.510 0.01 2 562 50 50 LYS C C 177.800 0.1 1 563 50 50 LYS CA C 56.818 0.1 1 564 50 50 LYS CB C 32.757 0.1 1 565 50 50 LYS CD C 28.595 0.1 1 566 50 50 LYS CG C 24.935 0.1 1 567 50 50 LYS N N 120.200 0.1 1 568 51 51 GLU H H 8.350 0.01 1 569 51 51 GLU HA H 4.237 0.01 1 570 51 51 GLU HB2 H 1.873 0.01 2 571 51 51 GLU HB3 H 2.088 0.01 2 572 51 51 GLU HG2 H 2.290 0.01 2 573 51 51 GLU HG3 H 2.290 0.01 2 574 51 51 GLU C C 177.090 0.1 1 575 51 51 GLU CA C 56.818 0.1 1 576 51 51 GLU CB C 30.225 0.1 1 577 51 51 GLU CG C 36.225 0.1 1 578 51 51 GLU N N 120.090 0.1 1 579 52 52 ALA H H 8.187 0.01 1 580 52 52 ALA HA H 4.334 0.01 1 581 52 52 ALA HB H 1.463 0.01 1 582 52 52 ALA C C 178.260 0.1 1 583 52 52 ALA CA C 52.766 0.1 1 584 52 52 ALA CB C 19.177 0.1 1 585 52 52 ALA N N 122.820 0.1 1 586 53 53 GLU H H 8.292 0.01 1 587 53 53 GLU HA H 4.334 0.01 1 588 53 53 GLU HB2 H 2.010 0.01 2 589 53 53 GLU HB3 H 2.010 0.01 2 590 53 53 GLU HG2 H 2.361 0.01 2 591 53 53 GLU HG3 H 2.361 0.01 2 592 53 53 GLU C C 177.090 0.1 1 593 53 53 GLU CA C 56.706 0.1 1 594 53 53 GLU CB C 30.517 0.1 1 595 53 53 GLU CG C 36.225 0.1 1 596 53 53 GLU N N 118.720 0.1 1 597 54 54 GLY H H 8.175 0.01 1 598 54 54 GLY HA2 H 4.061 0.01 2 599 54 54 GLY HA3 H 4.178 0.01 2 600 54 54 GLY CA C 44.555 0.1 1 601 54 54 GLY N N 108.545 0.1 1 602 55 55 PRO HA H 4.400 0.01 1 603 55 55 PRO HB2 H 2.000 0.01 2 604 55 55 PRO HB3 H 2.230 0.01 2 605 55 55 PRO HD2 H 3.651 0.01 2 606 55 55 PRO HD3 H 3.651 0.01 2 607 55 55 PRO HG2 H 2.000 0.01 2 608 55 55 PRO HG3 H 2.000 0.01 2 609 55 55 PRO C C 177.330 0.1 1 610 55 55 PRO CA C 62.965 0.1 1 611 55 55 PRO CB C 31.905 0.1 1 612 55 55 PRO CD C 49.835 0.1 1 613 55 55 PRO CG C 26.925 0.1 1 614 56 56 LEU H H 8.370 0.01 1 615 56 56 LEU HA H 4.620 0.01 1 616 56 56 LEU HB2 H 1.720 0.01 2 617 56 56 LEU HB3 H 1.720 0.01 2 618 56 56 LEU HD1 H 0.970 0.01 2 619 56 56 LEU HD2 H 0.970 0.01 2 620 56 56 LEU HG H 1.610 0.01 1 621 56 56 LEU CA C 52.700 0.1 1 622 56 56 LEU CB C 41.715 0.1 1 623 56 56 LEU N N 122.630 0.1 1 624 57 57 PRO HA H 4.471 0.01 1 625 57 57 PRO HB2 H 2.040 0.01 2 626 57 57 PRO HB3 H 2.284 0.01 2 627 57 57 PRO HD2 H 3.730 0.01 2 628 57 57 PRO HD3 H 3.730 0.01 2 629 57 57 PRO HG2 H 2.040 0.01 2 630 57 57 PRO HG3 H 2.040 0.01 2 631 57 57 PRO C C 177.210 0.1 1 632 57 57 PRO CA C 62.626 0.1 1 633 57 57 PRO CB C 32.685 0.1 1 634 57 57 PRO CD C 50.505 0.1 1 635 57 57 PRO CG C 27.595 0.1 1 636 58 58 ILE H H 8.236 0.01 1 637 58 58 ILE HA H 4.138 0.01 1 638 58 58 ILE HB H 1.874 0.01 1 639 58 58 ILE HD1 H 0.936 0.01 1 640 58 58 ILE HG12 H 1.233 0.01 1 641 58 58 ILE HG13 H 1.443 0.01 1 642 58 58 ILE HG2 H 0.936 0.01 1 643 58 58 ILE C C 176.740 0.1 1 644 58 58 ILE CA C 61.274 0.1 1 645 58 58 ILE CB C 38.699 0.1 1 646 58 58 ILE CG1 C 27.255 0.1 1 647 58 58 ILE CG2 C 17.635 0.1 1 648 58 58 ILE N N 119.777 0.1 1 649 59 59 LYS H H 8.399 0.01 1 650 59 59 LYS HA H 4.334 0.01 1 651 59 59 LYS HB2 H 1.776 0.01 2 652 59 59 LYS HB3 H 1.853 0.01 2 653 59 59 LYS HD2 H 1.730 0.01 2 654 59 59 LYS HD3 H 1.730 0.01 2 655 59 59 LYS HE2 H 3.040 0.01 2 656 59 59 LYS HE3 H 3.040 0.01 2 657 59 59 LYS HG2 H 1.464 0.01 2 658 59 59 LYS HG3 H 1.464 0.01 2 659 59 59 LYS C C 176.270 0.1 1 660 59 59 LYS CA C 56.218 0.1 1 661 59 59 LYS CB C 33.012 0.1 1 662 59 59 LYS CD C 29.255 0.1 1 663 59 59 LYS CG C 24.605 0.1 1 664 59 59 LYS N N 124.709 0.1 1 665 60 60 ALA H H 8.334 0.01 1 666 60 60 ALA HA H 4.295 0.01 1 667 60 60 ALA HB H 1.386 0.01 1 668 60 60 ALA C C 177.910 0.1 1 669 60 60 ALA CA C 51.505 0.1 1 670 60 60 ALA CB C 19.383 0.1 1 671 60 60 ALA N N 124.710 0.1 1 672 61 61 LYS H H 8.380 0.01 1 673 61 61 LYS HA H 4.600 0.01 1 674 61 61 LYS HB2 H 1.760 0.01 2 675 61 61 LYS HB3 H 1.760 0.01 2 676 61 61 LYS HG2 H 1.500 0.01 2 677 61 61 LYS HG3 H 1.500 0.01 2 678 61 61 LYS CA C 54.095 0.1 1 679 61 61 LYS CB C 32.625 0.1 1 680 61 61 LYS N N 121.660 0.1 1 681 62 62 PRO HA H 4.410 0.01 1 682 62 62 PRO HB2 H 2.040 0.01 2 683 62 62 PRO HB3 H 2.250 0.01 2 684 62 62 PRO HD2 H 3.620 0.01 2 685 62 62 PRO HD3 H 3.620 0.01 2 686 62 62 PRO HG2 H 2.040 0.01 2 687 62 62 PRO HG3 H 2.040 0.01 2 688 62 62 PRO C C 177.330 0.1 1 689 62 62 PRO CA C 62.819 0.1 1 690 62 62 PRO CB C 32.777 0.1 1 691 62 62 PRO CD C 50.835 0.1 1 692 62 62 PRO CG C 27.595 0.1 1 693 63 63 LYS H H 8.520 0.01 1 694 63 63 LYS HA H 4.280 0.01 1 695 63 63 LYS HB2 H 1.810 0.01 2 696 63 63 LYS HB3 H 1.810 0.01 2 697 63 63 LYS HE2 H 3.150 0.01 2 698 63 63 LYS HE3 H 3.150 0.01 2 699 63 63 LYS HG2 H 1.500 0.01 2 700 63 63 LYS HG3 H 1.500 0.01 2 701 63 63 LYS C C 176.740 0.1 1 702 63 63 LYS CA C 56.195 0.1 1 703 63 63 LYS CB C 32.777 0.1 1 704 63 63 LYS CD C 29.595 0.1 1 705 63 63 LYS CG C 24.935 0.1 1 706 63 63 LYS N N 120.480 0.1 1 707 64 64 GLN H H 8.380 0.01 1 708 64 64 GLN HA H 4.580 0.01 1 709 64 64 GLN HB2 H 1.960 0.01 2 710 64 64 GLN HB3 H 1.960 0.01 2 711 64 64 GLN HE21 H 7.450 0.01 2 712 64 64 GLN HE22 H 6.870 0.01 2 713 64 64 GLN HG2 H 2.270 0.01 2 714 64 64 GLN HG3 H 2.270 0.01 2 715 64 64 GLN CA C 54.095 0.1 1 716 64 64 GLN CB C 30.171 0.1 1 717 64 64 GLN N N 121.270 0.1 1 718 64 64 GLN NE2 N 112.080 0.1 1 719 65 65 PRO HA H 4.370 0.01 1 720 65 65 PRO HB2 H 1.900 0.01 2 721 65 65 PRO HB3 H 2.240 0.01 2 722 65 65 PRO HD2 H 3.660 0.01 2 723 65 65 PRO HD3 H 3.660 0.01 2 724 65 65 PRO HG2 H 1.900 0.01 2 725 65 65 PRO HG3 H 1.900 0.01 2 726 65 65 PRO C C 176.850 0.1 1 727 65 65 PRO CA C 63.400 0.1 1 728 65 65 PRO CB C 32.503 0.1 1 729 65 65 PRO CD C 50.835 0.1 1 730 65 65 PRO CG C 26.935 0.1 1 731 66 66 PHE H H 8.240 0.01 1 732 66 66 PHE HA H 4.600 0.01 1 733 66 66 PHE HB2 H 3.120 0.01 2 734 66 66 PHE HB3 H 3.120 0.01 2 735 66 66 PHE HD1 H 7.280 0.01 3 736 66 66 PHE HD2 H 7.280 0.01 3 737 66 66 PHE HE1 H 7.390 0.01 3 738 66 66 PHE HE2 H 7.390 0.01 3 739 66 66 PHE HZ H 7.310 0.01 1 740 66 66 PHE C C 175.920 0.1 1 741 66 66 PHE CA C 57.495 0.1 1 742 66 66 PHE CB C 39.340 0.1 1 743 66 66 PHE CD1 C 131.815 0.1 3 744 66 66 PHE CD2 C 131.815 0.1 3 745 66 66 PHE CE1 C 131.865 0.1 3 746 66 66 PHE CE2 C 131.865 0.1 3 747 66 66 PHE CZ C 129.595 0.1 1 748 66 66 PHE N N 118.720 0.1 1 749 67 67 LEU H H 8.080 0.01 1 750 67 67 LEU HA H 4.334 0.01 1 751 67 67 LEU HB2 H 1.600 0.01 2 752 67 67 LEU HB3 H 1.600 0.01 2 753 67 67 LEU HD1 H 0.880 0.01 2 754 67 67 LEU HD2 H 0.880 0.01 2 755 67 67 LEU HG H 1.560 0.01 1 756 67 67 LEU C C 176.970 0.1 1 757 67 67 LEU CA C 54.774 0.1 1 758 67 67 LEU CB C 42.658 0.1 1 759 67 67 LEU CD1 C 24.600 0.1 1 760 67 67 LEU CD2 C 23.590 0.1 1 761 67 67 LEU CG C 26.935 0.1 1 762 67 67 LEU N N 123.073 0.1 1 763 68 68 LYS H H 8.310 0.01 1 764 68 68 LYS HA H 4.320 0.01 1 765 68 68 LYS HB2 H 1.800 0.01 2 766 68 68 LYS HB3 H 1.800 0.01 2 767 68 68 LYS HD2 H 1.440 0.01 2 768 68 68 LYS HD3 H 1.440 0.01 2 769 68 68 LYS HG2 H 1.740 0.01 2 770 68 68 LYS HG3 H 1.740 0.01 2 771 68 68 LYS C C 176.740 0.1 1 772 68 68 LYS CA C 56.614 0.1 1 773 68 68 LYS CB C 32.886 0.1 1 774 68 68 LYS CD C 29.595 0.1 1 775 68 68 LYS CG C 24.935 0.1 1 776 68 68 LYS N N 121.650 0.1 1 777 69 69 ARG H H 8.430 0.01 1 778 69 69 ARG HA H 4.300 0.01 1 779 69 69 ARG HB2 H 1.770 0.01 2 780 69 69 ARG HB3 H 1.770 0.01 2 781 69 69 ARG HD2 H 3.170 0.01 2 782 69 69 ARG HD3 H 3.170 0.01 2 783 69 69 ARG HG2 H 1.660 0.01 2 784 69 69 ARG HG3 H 1.660 0.01 2 785 69 69 ARG C C 177.200 0.1 1 786 69 69 ARG CA C 56.614 0.1 1 787 69 69 ARG CB C 30.583 0.1 1 788 69 69 ARG CD C 43.195 0.1 1 789 69 69 ARG CG C 26.935 0.1 1 790 69 69 ARG N N 121.650 0.1 1 791 70 70 GLY H H 8.548 0.01 1 792 70 70 GLY HA2 H 3.982 0.01 2 793 70 70 GLY HA3 H 3.982 0.01 2 794 70 70 GLY C C 174.630 0.1 1 795 70 70 GLY CA C 45.293 0.1 1 796 70 70 GLY N N 109.327 0.1 1 797 71 71 GLU H H 8.346 0.01 1 798 71 71 GLU HA H 4.315 0.01 1 799 71 71 GLU HB2 H 1.991 0.01 2 800 71 71 GLU HB3 H 1.991 0.01 2 801 71 71 GLU HG2 H 2.283 0.01 2 802 71 71 GLU HG3 H 2.283 0.01 2 803 71 71 GLU C C 177.560 0.1 1 804 71 71 GLU CA C 56.711 0.1 1 805 71 71 GLU CB C 30.398 0.1 1 806 71 71 GLU CG C 36.225 0.1 1 807 71 71 GLU N N 119.500 0.1 1 808 72 72 GLY H H 8.567 0.01 1 809 72 72 GLY HA2 H 3.963 0.01 2 810 72 72 GLY HA3 H 3.963 0.01 2 811 72 72 GLY C C 174.740 0.1 1 812 72 72 GLY CA C 45.475 0.1 1 813 72 72 GLY N N 108.594 0.1 1 814 73 73 LEU H H 8.117 0.01 1 815 73 73 LEU HA H 4.353 0.01 1 816 73 73 LEU HB2 H 1.639 0.01 2 817 73 73 LEU HB3 H 1.639 0.01 2 818 73 73 LEU HD1 H 0.920 0.01 2 819 73 73 LEU HD2 H 0.920 0.01 2 820 73 73 LEU HG H 1.639 0.01 1 821 73 73 LEU C C 177.910 0.1 1 822 73 73 LEU CA C 55.247 0.1 1 823 73 73 LEU CB C 42.171 0.1 1 824 73 73 LEU CD1 C 24.940 0.1 1 825 73 73 LEU CD2 C 23.270 0.1 1 826 73 73 LEU CG C 26.925 0.1 1 827 73 73 LEU N N 120.460 0.1 1 828 74 74 ALA H H 8.297 0.01 1 829 74 74 ALA HA H 4.277 0.01 1 830 74 74 ALA HB H 1.404 0.01 1 831 74 74 ALA C C 178.140 0.1 1 832 74 74 ALA CA C 52.838 0.1 1 833 74 74 ALA CB C 18.931 0.1 1 834 74 74 ALA N N 123.220 0.1 1 835 75 75 ARG H H 8.128 0.01 1 836 75 75 ARG HA H 4.217 0.01 1 837 75 75 ARG HB2 H 1.800 0.01 2 838 75 75 ARG HB3 H 1.800 0.01 2 839 75 75 ARG HD2 H 3.140 0.01 2 840 75 75 ARG HD3 H 3.140 0.01 2 841 75 75 ARG HG2 H 1.670 0.01 2 842 75 75 ARG HG3 H 1.670 0.01 2 843 75 75 ARG C C 176.740 0.1 1 844 75 75 ARG CA C 56.784 0.1 1 845 75 75 ARG CB C 30.356 0.1 1 846 75 75 ARG CD C 43.205 0.1 1 847 75 75 ARG CG C 26.925 0.1 1 848 75 75 ARG N N 118.391 0.1 1 849 76 76 PHE H H 8.204 0.01 1 850 76 76 PHE HA H 4.745 0.01 1 851 76 76 PHE HB2 H 3.045 0.01 2 852 76 76 PHE HB3 H 3.241 0.01 2 853 76 76 PHE HD1 H 7.280 0.01 3 854 76 76 PHE HD2 H 7.280 0.01 3 855 76 76 PHE HE1 H 7.385 0.01 3 856 76 76 PHE HE2 H 7.385 0.01 3 857 76 76 PHE HZ H 7.310 0.01 1 858 76 76 PHE C C 176.510 0.1 1 859 76 76 PHE CA C 57.618 0.1 1 860 76 76 PHE CB C 39.480 0.1 1 861 76 76 PHE CD1 C 131.815 0.1 3 862 76 76 PHE CD2 C 131.815 0.1 3 863 76 76 PHE CE1 C 131.865 0.1 3 864 76 76 PHE CE2 C 131.865 0.1 3 865 76 76 PHE CZ C 129.595 0.1 1 866 76 76 PHE N N 119.093 0.1 1 867 77 77 THR H H 8.120 0.01 1 868 77 77 THR HA H 4.315 0.01 1 869 77 77 THR HB H 4.217 0.01 1 870 77 77 THR HG2 H 1.210 0.01 1 871 77 77 THR C C 174.630 0.1 1 872 77 77 THR CA C 62.152 0.1 1 873 77 77 THR CB C 69.813 0.1 1 874 77 77 THR CG2 C 21.285 0.1 1 875 77 77 THR N N 114.283 0.1 1 876 78 78 ASN H H 8.450 0.01 1 877 78 78 ASN HA H 4.725 0.01 1 878 78 78 ASN HB2 H 2.800 0.01 2 879 78 78 ASN HB3 H 2.800 0.01 2 880 78 78 ASN HD21 H 7.650 0.01 2 881 78 78 ASN HD22 H 6.950 0.01 2 882 78 78 ASN C C 175.570 0.1 1 883 78 78 ASN CA C 52.918 0.1 1 884 78 78 ASN CB C 38.440 0.1 1 885 78 78 ASN CG C 177.660 0.1 1 886 78 78 ASN N N 119.875 0.1 1 887 78 78 ASN ND2 N 111.800 0.1 1 888 79 79 ALA H H 8.297 0.01 1 889 79 79 ALA HA H 4.277 0.01 1 890 79 79 ALA HB H 1.404 0.01 1 891 79 79 ALA C C 178.500 0.1 1 892 79 79 ALA CA C 53.022 0.1 1 893 79 79 ALA CB C 19.156 0.1 1 894 79 79 ALA N N 123.220 0.1 1 895 80 80 LYS H H 8.328 0.01 1 896 80 80 LYS HA H 4.315 0.01 1 897 80 80 LYS HB2 H 1.796 0.01 2 898 80 80 LYS HB3 H 1.892 0.01 2 899 80 80 LYS HD2 H 1.720 0.01 2 900 80 80 LYS HD3 H 1.720 0.01 2 901 80 80 LYS HE2 H 2.970 0.01 2 902 80 80 LYS HE3 H 2.970 0.01 2 903 80 80 LYS HG2 H 1.440 0.01 2 904 80 80 LYS HG3 H 1.440 0.01 2 905 80 80 LYS C C 177.560 0.1 1 906 80 80 LYS CA C 56.630 0.1 1 907 80 80 LYS CB C 32.805 0.1 1 908 80 80 LYS CD C 28.295 0.1 1 909 80 80 LYS CG C 24.935 0.1 1 910 80 80 LYS N N 118.330 0.1 1 911 81 81 SER H H 8.229 0.01 1 912 81 81 SER HA H 4.412 0.01 1 913 81 81 SER HB2 H 3.904 0.01 2 914 81 81 SER HB3 H 3.904 0.01 2 915 81 81 SER C C 175.220 0.1 1 916 81 81 SER CA C 58.555 0.1 1 917 81 81 SER CB C 63.903 0.1 1 918 81 81 SER N N 115.236 0.1 1 919 82 82 LYS H H 8.310 0.01 1 920 82 82 LYS HA H 4.320 0.01 1 921 82 82 LYS HB2 H 1.740 0.01 2 922 82 82 LYS HB3 H 1.814 0.01 2 923 82 82 LYS HG2 H 1.440 0.01 2 924 82 82 LYS HG3 H 1.440 0.01 2 925 82 82 LYS C C 176.860 0.1 1 926 82 82 LYS CA C 57.464 0.1 1 927 82 82 LYS CB C 32.729 0.1 1 928 82 82 LYS CD C 24.275 0.1 1 929 82 82 LYS CG C 28.585 0.1 1 930 82 82 LYS N N 121.650 0.1 1 931 83 83 PHE H H 8.170 0.01 1 932 83 83 PHE HA H 4.630 0.01 1 933 83 83 PHE HB2 H 3.010 0.01 2 934 83 83 PHE HB3 H 3.170 0.01 2 935 83 83 PHE HD1 H 7.280 0.01 3 936 83 83 PHE HD2 H 7.280 0.01 3 937 83 83 PHE HE1 H 7.385 0.01 3 938 83 83 PHE HE2 H 7.385 0.01 3 939 83 83 PHE HZ H 7.310 0.01 1 940 83 83 PHE C C 176.150 0.1 1 941 83 83 PHE CA C 57.727 0.1 1 942 83 83 PHE CB C 39.428 0.1 1 943 83 83 PHE CD1 C 131.815 0.1 3 944 83 83 PHE CD2 C 131.815 0.1 3 945 83 83 PHE CE1 C 131.865 0.1 3 946 83 83 PHE CE2 C 131.865 0.1 3 947 83 83 PHE CZ C 129.595 0.1 1 948 83 83 PHE N N 118.703 0.1 1 949 84 84 GLN H H 8.220 0.01 1 950 84 84 GLN HA H 4.260 0.01 1 951 84 84 GLN HB2 H 2.000 0.01 2 952 84 84 GLN HB3 H 2.100 0.01 2 953 84 84 GLN HG2 H 2.360 0.01 2 954 84 84 GLN HG3 H 2.360 0.01 2 955 84 84 GLN C C 176.970 0.1 1 956 84 84 GLN CA C 58.486 0.1 1 957 84 84 GLN CB C 29.614 0.1 1 958 84 84 GLN CG C 33.595 0.1 1 959 84 84 GLN N N 120.948 0.1 1 960 85 85 LYS H H 8.380 0.01 1 961 85 85 LYS HA H 4.340 0.01 1 962 85 85 LYS HB2 H 1.760 0.01 2 963 85 85 LYS HB3 H 1.760 0.01 2 964 85 85 LYS HG2 H 1.490 0.01 2 965 85 85 LYS HG3 H 1.490 0.01 2 966 85 85 LYS C C 177.200 0.1 1 967 85 85 LYS CA C 56.614 0.1 1 968 85 85 LYS CB C 32.949 0.1 1 969 85 85 LYS CD C 28.925 0.1 1 970 85 85 LYS CG C 24.605 0.1 1 971 85 85 LYS N N 122.040 0.1 1 972 86 86 GLY H H 8.548 0.01 1 973 86 86 GLY HA2 H 3.982 0.01 2 974 86 86 GLY HA3 H 3.982 0.01 2 975 86 86 GLY C C 174.630 0.1 1 976 86 86 GLY CA C 45.293 0.1 1 977 86 86 GLY N N 109.327 0.1 1 978 87 87 LYS H H 8.240 0.01 1 979 87 87 LYS HA H 4.310 0.01 1 980 87 87 LYS HB2 H 1.770 0.01 2 981 87 87 LYS HB3 H 1.850 0.01 2 982 87 87 LYS HE2 H 2.960 0.01 2 983 87 87 LYS HE3 H 2.960 0.01 2 984 87 87 LYS HG2 H 1.430 0.01 2 985 87 87 LYS HG3 H 1.430 0.01 2 986 87 87 LYS C C 177.210 0.1 1 987 87 87 LYS CA C 56.514 0.1 1 988 87 87 LYS CB C 32.854 0.1 1 989 87 87 LYS CD C 28.925 0.1 1 990 87 87 LYS CG C 24.605 0.1 1 991 87 87 LYS N N 119.510 0.1 1 992 88 88 GLU H H 8.610 0.01 1 993 88 88 GLU HA H 4.295 0.01 1 994 88 88 GLU HB2 H 1.980 0.01 2 995 88 88 GLU HB3 H 1.980 0.01 2 996 88 88 GLU HG2 H 2.300 0.01 2 997 88 88 GLU HG3 H 2.300 0.01 2 998 88 88 GLU C C 177.090 0.1 1 999 88 88 GLU CA C 56.780 0.1 1 1000 88 88 GLU CB C 30.045 0.1 1 1001 88 88 GLU CG C 36.225 0.1 1 1002 88 88 GLU N N 120.680 0.1 1 1003 89 89 SER H H 8.366 0.01 1 1004 89 89 SER HA H 4.451 0.01 1 1005 89 89 SER HB2 H 3.885 0.01 2 1006 89 89 SER HB3 H 3.885 0.01 2 1007 89 89 SER C C 176.390 0.1 1 1008 89 89 SER CA C 58.656 0.1 1 1009 89 89 SER CB C 63.815 0.1 1 1010 89 89 SER N N 116.016 0.1 1 1011 90 90 LYS H H 8.380 0.01 1 1012 90 90 LYS HA H 4.340 0.01 1 1013 90 90 LYS HB2 H 1.760 0.01 2 1014 90 90 LYS HB3 H 1.760 0.01 2 1015 90 90 LYS HG2 H 1.490 0.01 2 1016 90 90 LYS HG3 H 1.490 0.01 2 1017 90 90 LYS C C 176.740 0.1 1 1018 90 90 LYS CA C 56.328 0.1 1 1019 90 90 LYS CB C 32.888 0.1 1 1020 90 90 LYS CD C 28.925 0.1 1 1021 90 90 LYS CG C 24.605 0.1 1 1022 90 90 LYS N N 122.240 0.1 1 1023 91 91 LEU H H 8.240 0.01 1 1024 91 91 LEU HA H 4.393 0.01 1 1025 91 91 LEU HB2 H 1.650 0.01 2 1026 91 91 LEU HB3 H 1.650 0.01 2 1027 91 91 LEU HD1 H 0.920 0.01 2 1028 91 91 LEU HD2 H 0.920 0.01 2 1029 91 91 LEU HG H 1.650 0.01 1 1030 91 91 LEU C C 177.680 0.1 1 1031 91 91 LEU CA C 55.388 0.1 1 1032 91 91 LEU CB C 42.346 0.1 1 1033 91 91 LEU CD1 C 25.275 0.1 1 1034 91 91 LEU CD2 C 25.275 0.1 1 1035 91 91 LEU CG C 26.605 0.1 1 1036 91 91 LEU N N 121.650 0.1 1 1037 92 92 VAL H H 8.227 0.01 1 1038 92 92 VAL HA H 4.217 0.01 1 1039 92 92 VAL HB H 2.108 0.01 1 1040 92 92 VAL HG1 H 0.964 0.01 2 1041 92 92 VAL HG2 H 0.964 0.01 2 1042 92 92 VAL C C 176.740 0.1 1 1043 92 92 VAL CA C 62.560 0.1 1 1044 92 92 VAL CB C 32.607 0.1 1 1045 92 92 VAL CG1 C 20.890 0.1 1 1046 92 92 VAL CG2 C 21.280 0.1 1 1047 92 92 VAL N N 120.729 0.1 1 1048 93 93 THR H H 8.280 0.01 1 1049 93 93 THR HA H 4.412 0.01 1 1050 93 93 THR HB H 4.256 0.01 1 1051 93 93 THR HG2 H 1.210 0.01 1 1052 93 93 THR C C 174.630 0.1 1 1053 93 93 THR CA C 61.757 0.1 1 1054 93 93 THR CB C 69.867 0.1 1 1055 93 93 THR CG2 C 21.615 0.1 1 1056 93 93 THR N N 116.481 0.1 1 1057 94 94 ASN H H 8.507 0.01 1 1058 94 94 ASN HA H 4.765 0.01 1 1059 94 94 ASN HB2 H 2.849 0.01 2 1060 94 94 ASN HB3 H 2.849 0.01 2 1061 94 94 ASN HD21 H 7.650 0.01 2 1062 94 94 ASN HD22 H 6.950 0.01 2 1063 94 94 ASN C C 175.450 0.1 1 1064 94 94 ASN CA C 53.339 0.1 1 1065 94 94 ASN CB C 38.831 0.1 1 1066 94 94 ASN CG C 177.660 0.1 1 1067 94 94 ASN N N 119.890 0.1 1 1068 95 95 GLN H H 8.456 0.01 1 1069 95 95 GLN HA H 4.393 0.01 1 1070 95 95 GLN HB2 H 2.027 0.01 2 1071 95 95 GLN HB3 H 2.027 0.01 2 1072 95 95 GLN HG2 H 2.390 0.01 2 1073 95 95 GLN HG3 H 2.390 0.01 2 1074 95 95 GLN C C 176.500 0.1 1 1075 95 95 GLN CA C 56.282 0.1 1 1076 95 95 GLN CB C 29.586 0.1 1 1077 95 95 GLN CG C 33.565 0.1 1 1078 95 95 GLN N N 119.606 0.1 1 1079 96 96 SER H H 8.492 0.01 1 1080 96 96 SER HA H 4.568 0.01 1 1081 96 96 SER HB2 H 3.924 0.01 2 1082 96 96 SER HB3 H 3.924 0.01 2 1083 96 96 SER C C 175.330 0.1 1 1084 96 96 SER CA C 58.514 0.1 1 1085 96 96 SER CB C 63.960 0.1 1 1086 96 96 SER N N 116.090 0.1 1 1087 97 97 THR H H 8.319 0.01 1 1088 97 97 THR HA H 4.451 0.01 1 1089 97 97 THR HB H 4.333 0.01 1 1090 97 97 THR HG2 H 1.248 0.01 1 1091 97 97 THR C C 175.220 0.1 1 1092 97 97 THR CA C 61.730 0.1 1 1093 97 97 THR CB C 69.919 0.1 1 1094 97 97 THR CG2 C 21.100 0.1 1 1095 97 97 THR N N 114.320 0.1 1 1096 98 98 SER H H 8.383 0.01 1 1097 98 98 SER HA H 4.491 0.01 1 1098 98 98 SER HB2 H 3.905 0.01 2 1099 98 98 SER HB3 H 3.905 0.01 2 1100 98 98 SER C C 176.540 0.1 1 1101 98 98 SER CA C 58.768 0.1 1 1102 98 98 SER CB C 63.876 0.1 1 1103 98 98 SER N N 116.578 0.1 1 1104 99 99 GLU H H 8.380 0.01 1 1105 99 99 GLU HA H 4.295 0.01 1 1106 99 99 GLU HB2 H 1.990 0.01 2 1107 99 99 GLU HB3 H 2.089 0.01 2 1108 99 99 GLU HG2 H 2.303 0.01 2 1109 99 99 GLU HG3 H 2.303 0.01 2 1110 99 99 GLU C C 176.850 0.1 1 1111 99 99 GLU CA C 56.594 0.1 1 1112 99 99 GLU CB C 30.222 0.1 1 1113 99 99 GLU CG C 35.895 0.1 1 1114 99 99 GLU N N 120.656 0.1 1 1115 100 100 ASP H H 8.335 0.01 1 1116 100 100 ASP HA H 4.608 0.01 1 1117 100 100 ASP HB2 H 2.615 0.01 2 1118 100 100 ASP HB3 H 2.615 0.01 2 1119 100 100 ASP C C 176.150 0.1 1 1120 100 100 ASP CA C 53.683 0.1 1 1121 100 100 ASP CB C 41.175 0.1 1 1122 100 100 ASP N N 119.631 0.1 1 1123 101 101 GLN H H 8.192 0.01 1 1124 101 101 GLN HA H 4.333 0.01 1 1125 101 101 GLN HB2 H 1.933 0.01 2 1126 101 101 GLN HB3 H 2.107 0.01 2 1127 101 101 GLN HG2 H 2.381 0.01 2 1128 101 101 GLN HG3 H 2.381 0.01 2 1129 101 101 GLN CA C 57.591 0.1 1 1130 101 101 GLN CB C 28.993 0.1 1 1131 101 101 GLN N N 119.792 0.1 1 1132 102 102 PRO HA H 4.470 0.01 1 1133 102 102 PRO HB2 H 2.240 0.01 2 1134 102 102 PRO HD2 H 3.720 0.01 2 1135 102 102 PRO HD3 H 3.720 0.01 2 1136 102 102 PRO C C 177.800 0.1 1 1137 102 102 PRO CA C 63.495 0.1 1 1138 102 102 PRO CB C 31.585 0.1 1 1139 102 102 PRO CD C 50.835 0.1 1 1140 102 102 PRO CG C 26.935 0.1 1 1141 103 103 LEU H H 8.320 0.01 1 1142 103 103 LEU HA H 4.256 0.01 1 1143 103 103 LEU HB2 H 1.640 0.01 2 1144 103 103 LEU HB3 H 1.640 0.01 2 1145 103 103 LEU HG H 1.530 0.01 1 1146 103 103 LEU C C 177.560 0.1 1 1147 103 103 LEU CA C 55.426 0.1 1 1148 103 103 LEU CB C 42.052 0.1 1 1149 103 103 LEU CD1 C 24.600 0.1 1 1150 103 103 LEU CD2 C 23.940 0.1 1 1151 103 103 LEU CG C 26.925 0.1 1 1152 103 103 LEU N N 120.680 0.1 1 1153 104 104 PHE H H 8.110 0.01 1 1154 104 104 PHE HA H 4.647 0.01 1 1155 104 104 PHE HB2 H 3.064 0.01 2 1156 104 104 PHE HB3 H 3.105 0.01 2 1157 104 104 PHE HD1 H 7.280 0.01 3 1158 104 104 PHE HD2 H 7.280 0.01 3 1159 104 104 PHE HE1 H 7.385 0.01 3 1160 104 104 PHE HE2 H 7.385 0.01 3 1161 104 104 PHE HZ H 7.310 0.01 1 1162 104 104 PHE C C 175.800 0.1 1 1163 104 104 PHE CA C 57.510 0.1 1 1164 104 104 PHE CB C 39.596 0.1 1 1165 104 104 PHE CD1 C 131.815 0.1 3 1166 104 104 PHE CD2 C 131.815 0.1 3 1167 104 104 PHE CE1 C 131.865 0.1 3 1168 104 104 PHE CE2 C 131.865 0.1 3 1169 104 104 PHE CZ C 129.595 0.1 1 1170 104 104 PHE N N 118.910 0.1 1 1171 105 105 LYS H H 8.182 0.01 1 1172 105 105 LYS HA H 4.270 0.01 1 1173 105 105 LYS HB2 H 1.814 0.01 2 1174 105 105 LYS HB3 H 1.814 0.01 2 1175 105 105 LYS HD2 H 1.698 0.01 2 1176 105 105 LYS HD3 H 1.698 0.01 2 1177 105 105 LYS HG2 H 1.385 0.01 2 1178 105 105 LYS HG3 H 1.385 0.01 2 1179 105 105 LYS C C 176.740 0.1 1 1180 105 105 LYS CA C 56.805 0.1 1 1181 105 105 LYS CB C 33.125 0.1 1 1182 105 105 LYS CD C 28.595 0.1 1 1183 105 105 LYS CG C 24.935 0.1 1 1184 105 105 LYS N N 121.850 0.1 1 1185 106 106 MET H H 8.326 0.01 1 1186 106 106 MET HA H 4.431 0.01 1 1187 106 106 MET HB2 H 2.068 0.01 2 1188 106 106 MET HB3 H 2.068 0.01 2 1189 106 106 MET HG2 H 2.614 0.01 2 1190 106 106 MET HG3 H 2.614 0.01 2 1191 106 106 MET C C 176.150 0.1 1 1192 106 106 MET CA C 55.931 0.1 1 1193 106 106 MET CB C 32.954 0.1 1 1194 106 106 MET CG C 32.595 0.1 1 1195 106 106 MET N N 120.387 0.1 1 1196 107 107 ASP H H 8.419 0.01 1 1197 107 107 ASP HA H 4.608 0.01 1 1198 107 107 ASP HB2 H 2.694 0.01 2 1199 107 107 ASP HB3 H 2.694 0.01 2 1200 107 107 ASP C C 176.270 0.1 1 1201 107 107 ASP CA C 54.308 0.1 1 1202 107 107 ASP CB C 41.132 0.1 1 1203 107 107 ASP N N 120.534 0.1 1 1204 108 108 ARG H H 8.330 0.01 1 1205 108 108 ARG HA H 4.260 0.01 1 1206 108 108 ARG HB2 H 1.860 0.01 2 1207 108 108 ARG HB3 H 1.860 0.01 2 1208 108 108 ARG HD2 H 3.180 0.01 2 1209 108 108 ARG HD3 H 3.180 0.01 2 1210 108 108 ARG HG2 H 1.620 0.01 2 1211 108 108 ARG HG3 H 1.620 0.01 2 1212 108 108 ARG C C 176.900 0.1 1 1213 108 108 ARG CA C 56.395 0.1 1 1214 108 108 ARG CB C 30.585 0.1 1 1215 108 108 ARG CD C 43.205 0.1 1 1216 108 108 ARG CG C 26.925 0.1 1 1217 108 108 ARG N N 119.900 0.1 1 1218 109 109 GLN H H 8.450 0.01 1 1219 109 109 GLN HA H 4.280 0.01 1 1220 109 109 GLN HB2 H 2.070 0.01 2 1221 109 109 GLN HB3 H 2.070 0.01 2 1222 109 109 GLN HG2 H 2.390 0.01 2 1223 109 109 GLN HG3 H 2.390 0.01 2 1224 109 109 GLN C C 176.500 0.1 1 1225 109 109 GLN CA C 57.155 0.1 1 1226 109 109 GLN CB C 29.145 0.1 1 1227 109 109 GLN CG C 33.905 0.1 1 1228 109 109 GLN N N 119.700 0.1 1 1229 110 110 GLN H H 8.350 0.01 1 1230 110 110 GLN HA H 4.350 0.01 1 1231 110 110 GLN HB2 H 2.090 0.01 2 1232 110 110 GLN HB3 H 2.090 0.01 2 1233 110 110 GLN HG2 H 2.350 0.01 2 1234 110 110 GLN HG3 H 2.350 0.01 2 1235 110 110 GLN C C 176.150 0.1 1 1236 110 110 GLN CA C 55.885 0.1 1 1237 110 110 GLN CB C 29.345 0.1 1 1238 110 110 GLN CG C 33.655 0.1 1 1239 110 110 GLN N N 119.500 0.1 1 1240 111 111 LEU H H 8.320 0.01 1 1241 111 111 LEU HA H 4.355 0.01 1 1242 111 111 LEU HB2 H 1.610 0.01 2 1243 111 111 LEU HB3 H 1.610 0.01 2 1244 111 111 LEU HG H 1.570 0.01 1 1245 111 111 LEU C C 177.330 0.1 1 1246 111 111 LEU CA C 55.860 0.1 1 1247 111 111 LEU CB C 42.409 0.1 1 1248 111 111 LEU CD1 C 25.595 0.1 1 1249 111 111 LEU CD2 C 25.595 0.1 1 1250 111 111 LEU CG C 26.925 0.1 1 1251 111 111 LEU N N 121.650 0.1 1 1252 112 112 GLN H H 8.380 0.01 1 1253 112 112 GLN HA H 4.355 0.01 1 1254 112 112 GLN HB2 H 2.040 0.01 2 1255 112 112 GLN HB3 H 2.040 0.01 2 1256 112 112 GLN HG2 H 2.390 0.01 2 1257 112 112 GLN HG3 H 2.390 0.01 2 1258 112 112 GLN C C 175.330 0.1 1 1259 112 112 GLN CA C 55.862 0.1 1 1260 112 112 GLN CB C 29.378 0.1 1 1261 112 112 GLN CG C 33.905 0.1 1 1262 112 112 GLN N N 120.485 0.1 1 1263 113 113 ARG H H 8.055 0.01 1 1264 113 113 ARG HA H 4.178 0.01 1 1265 113 113 ARG HB2 H 1.754 0.01 2 1266 113 113 ARG HB3 H 1.873 0.01 2 1267 113 113 ARG HD2 H 3.201 0.01 2 1268 113 113 ARG HD3 H 3.201 0.01 2 1269 113 113 ARG HG2 H 1.639 0.01 2 1270 113 113 ARG HG3 H 1.639 0.01 2 1271 113 113 ARG CA C 57.394 0.1 1 1272 113 113 ARG CB C 31.447 0.1 1 1273 113 113 ARG N N 127.029 0.1 1 stop_ save_