data_5751 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of PCOLCE ; _BMRB_accession_number 5751 _BMRB_flat_file_name bmr5751.str _Entry_type original _Submission_date 2003-03-15 _Accession_date 2003-03-24 _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 Liepinsh Edvards . . 2 Banyai Laszlo . . 3 Pintacuda Guido . . 4 Trexler Maria . . 5 Patthy Laszlo . . 6 Otting Gottfried . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 832 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-08 original author . stop_ _Original_release_date 2003-08-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of the Netrin-like Domain (NTR) of Human Type 1 Procollagen C-Proteinase Enhancer Defines Structural Consensus of NTR Domains and Assesses Potential Proteinase Inhibitory Activity and Ligand Binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22726682 _PubMed_ID 12670942 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liepinsh Edvards . . 2 Banyai Laszlo . . 3 Pintacuda Guido . . 4 Trexler Maria . . 5 Patthy Laszlo . . 6 Otting Gottfried . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 278 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25982 _Page_last 25989 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name 'PCOLCE C-terminal domain' _Abbreviation_common PCOLCE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PCOLCE $str1 stop_ _System_molecular_weight 16555 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_str1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PCOLCE C-terminal domain' _Abbreviation_common PCOLCE _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details 'one cis-amide bond C101-P102' ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MLESPDAPTCPKQCRRTGTL QSNFCASSLVVTATVKSMVR EPGEGLAVTVSLIGAYKTGG LDLPSPPTGASLKFYVPCKQ CPPMKKGVSYLLMGQVEENR GPVLPPESFVVLHRPNQDQI LTNLSKRKCPSQPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -24 MET 2 -23 GLY 3 -22 SER 4 -21 SER 5 -20 HIS 6 -19 HIS 7 -18 HIS 8 -17 HIS 9 -16 HIS 10 -15 HIS 11 -14 SER 12 -13 SER 13 -12 GLY 14 -11 LEU 15 -10 VAL 16 -9 PRO 17 -8 ARG 18 -7 GLY 19 -6 SER 20 -5 HIS 21 -4 MET 22 -3 LEU 23 -2 GLU 24 -1 SER 25 313 PRO 26 314 ASP 27 315 ALA 28 316 PRO 29 317 THR 30 318 CYS 31 319 PRO 32 320 LYS 33 321 GLN 34 322 CYS 35 323 ARG 36 324 ARG 37 325 THR 38 326 GLY 39 327 THR 40 328 LEU 41 329 GLN 42 330 SER 43 331 ASN 44 332 PHE 45 333 CYS 46 334 ALA 47 335 SER 48 336 SER 49 337 LEU 50 338 VAL 51 339 VAL 52 340 THR 53 341 ALA 54 342 THR 55 343 VAL 56 344 LYS 57 345 SER 58 346 MET 59 347 VAL 60 348 ARG 61 349 GLU 62 350 PRO 63 351 GLY 64 352 GLU 65 353 GLY 66 354 LEU 67 355 ALA 68 356 VAL 69 357 THR 70 358 VAL 71 359 SER 72 360 LEU 73 361 ILE 74 362 GLY 75 363 ALA 76 364 TYR 77 365 LYS 78 366 THR 79 367 GLY 80 368 GLY 81 369 LEU 82 370 ASP 83 371 LEU 84 372 PRO 85 373 SER 86 374 PRO 87 375 PRO 88 376 THR 89 377 GLY 90 378 ALA 91 379 SER 92 380 LEU 93 381 LYS 94 382 PHE 95 383 TYR 96 384 VAL 97 385 PRO 98 386 CYS 99 387 LYS 100 388 GLN 101 389 CYS 102 390 PRO 103 391 PRO 104 392 MET 105 393 LYS 106 394 LYS 107 395 GLY 108 396 VAL 109 397 SER 110 398 TYR 111 399 LEU 112 400 LEU 113 401 MET 114 402 GLY 115 403 GLN 116 404 VAL 117 405 GLU 118 406 GLU 119 407 ASN 120 408 ARG 121 409 GLY 122 410 PRO 123 411 VAL 124 412 LEU 125 413 PRO 126 414 PRO 127 415 GLU 128 416 SER 129 417 PHE 130 418 VAL 131 419 VAL 132 420 LEU 133 421 HIS 134 422 ARG 135 423 PRO 136 424 ASN 137 425 GLN 138 426 ASP 139 427 GLN 140 428 ILE 141 429 LEU 142 430 THR 143 431 ASN 144 432 LEU 145 433 SER 146 434 LYS 147 435 ARG 148 436 LYS 149 437 CYS 150 438 PRO 151 439 SER 152 440 GLN 153 441 PRO 154 442 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1UAP "Nmr Structure Of The Ntr Domain From Human Pcolce1" 100.00 154 100.00 100.00 1.03e-106 DBJ BAA23281 "type 1 procollagen C-proteinase enhancer protein [Homo sapiens]" 85.06 449 99.24 100.00 1.27e-84 DBJ BAG36488 "unnamed protein product [Homo sapiens]" 85.06 449 99.24 100.00 1.27e-84 GB AAA61949 "procollagen C-proteinase enhancer protein [Homo sapiens]" 85.06 449 98.47 100.00 2.65e-84 GB AAC78800 "PCOLCE [Homo sapiens]" 85.06 449 99.24 100.00 1.27e-84 GB AAD16041 "procollagen C-proteinase enhancer protein [Homo sapiens]" 85.06 449 99.24 100.00 1.27e-84 GB AAH00574 "Procollagen C-endopeptidase enhancer [Homo sapiens]" 85.06 449 99.24 100.00 1.27e-84 GB AAH33205 "Procollagen C-endopeptidase enhancer [Homo sapiens]" 85.06 449 99.24 100.00 1.27e-84 REF NP_002584 "procollagen C-endopeptidase enhancer 1 precursor [Homo sapiens]" 85.06 449 99.24 100.00 1.27e-84 REF XP_002817814 "PREDICTED: procollagen C-endopeptidase enhancer 1 isoform X2 [Pongo abelii]" 85.06 517 99.24 100.00 3.82e-84 REF XP_003278147 "PREDICTED: LOW QUALITY PROTEIN: procollagen C-endopeptidase enhancer 1 [Nomascus leucogenys]" 85.06 518 97.71 98.47 1.59e-82 REF XP_003812960 "PREDICTED: LOW QUALITY PROTEIN: procollagen C-endopeptidase enhancer 1 [Pan paniscus]" 85.06 449 99.24 100.00 1.30e-84 REF XP_004045959 "PREDICTED: procollagen C-endopeptidase enhancer 1 [Gorilla gorilla gorilla]" 85.06 449 99.24 100.00 1.53e-84 SP Q15113 "RecName: Full=Procollagen C-endopeptidase enhancer 1; AltName: Full=Procollagen COOH-terminal proteinase enhancer 1; Short=PCPE" 85.06 449 99.24 100.00 1.27e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $str1 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 $str1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $str1 1 mM 0.9 1.1 . stop_ save_ save_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $str1 1 mM 0.9 1.1 '[U-90% U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 n/a temperature 301 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 NH3 N 15 nitrogen ppm 0 . indirect . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample2 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PCOLCE _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.308 0.02 1 2 . 1 MET HB2 H 1.788 0.02 2 3 . 1 MET HB3 H 1.947 0.02 2 4 . 1 MET HG2 H 2.372 0.02 2 5 . 1 MET HG3 H 2.443 0.02 2 6 . 12 SER H H 8.391 0.02 1 7 . 12 SER N N 118.0 0.2 1 8 . 12 SER HA H 4.382 0.02 1 9 . 12 SER HB2 H 3.779 0.02 1 10 . 12 SER HB3 H 3.817 0.02 1 11 . 13 GLY H H 8.297 0.02 1 12 . 13 GLY N N 110.4 0.2 1 13 . 13 GLY HA2 H 3.864 0.02 1 14 . 13 GLY HA3 H 3.864 0.02 1 15 . 14 LEU H H 7.979 0.02 1 16 . 14 LEU N N 121.4 0.2 1 17 . 14 LEU HA H 4.274 0.02 1 18 . 14 LEU HB2 H 1.455 0.02 2 19 . 14 LEU HB3 H 1.496 0.02 2 20 . 14 LEU HD1 H 0.743 0.02 2 21 . 14 LEU HD2 H 0.794 0.02 2 22 . 14 LEU HG H 1.452 0.02 1 23 . 15 VAL H H 8.023 0.02 1 24 . 15 VAL N N 123.0 0.2 1 25 . 15 VAL HA H 4.311 0.02 1 26 . 15 VAL HB H 1.958 0.02 1 27 . 15 VAL HG1 H 0.817 0.02 2 28 . 15 VAL HG2 H 0.838 0.02 2 29 . 16 PRO HA H 4.307 0.02 1 30 . 16 PRO HB2 H 1.984 0.02 2 31 . 16 PRO HB3 H 2.173 0.02 2 32 . 16 PRO HG2 H 1.031 0.02 2 33 . 16 PRO HG3 H 1.116 0.02 2 34 . 16 PRO HD2 H 2.538 0.02 2 35 . 16 PRO HD3 H 2.655 0.02 2 36 . 17 ARG H H 8.363 0.02 1 37 . 17 ARG N N 121.8 0.2 1 38 . 17 ARG HA H 4.21 0.02 1 39 . 17 ARG HB2 H 1.704 0.02 2 40 . 17 ARG HB3 H 1.763 0.02 2 41 . 17 ARG HG2 H 1.583 0.02 2 42 . 17 ARG HG3 H 1.606 0.02 2 43 . 17 ARG HD2 H 3.099 0.02 1 44 . 17 ARG HD3 H 3.099 0.02 1 45 . 17 ARG HE H 7.115 0.02 1 46 . 18 GLY H H 8.369 0.02 1 47 . 18 GLY N N 110.4 0.2 1 48 . 18 GLY HA2 H 3.867 0.02 2 49 . 18 GLY HA3 H 3.904 0.02 2 50 . 19 SER H H 8.088 0.02 1 51 . 19 SER N N 115.2 0.2 1 52 . 19 SER HA H 4.315 0.02 1 53 . 19 SER HB2 H 3.707 0.02 2 54 . 19 SER HB3 H 3.747 0.02 2 55 . 20 HIS H H 8.432 0.02 1 56 . 20 HIS HA H 4.593 0.02 1 57 . 20 HIS HB2 H 3.052 0.02 2 58 . 20 HIS HB3 H 3.175 0.02 2 59 . 20 HIS HD2 H 7.122 0.02 1 60 . 20 HIS HE1 H 8.468 0.02 1 61 . 21 MET H H 8.203 0.02 1 62 . 21 MET N N 121.3 0.2 1 63 . 21 MET HA H 4.321 0.02 1 64 . 21 MET HB2 H 1.883 0.02 2 65 . 21 MET HB3 H 1.971 0.02 2 66 . 21 MET HG2 H 2.375 0.02 2 67 . 21 MET HG3 H 2.438 0.02 2 68 . 22 LEU H H 8.18 0.02 1 69 . 22 LEU N N 122.9 0.2 1 70 . 22 LEU HA H 4.239 0.02 1 71 . 22 LEU HB2 H 1.532 0.02 1 72 . 22 LEU HB3 H 1.532 0.02 1 73 . 22 LEU HD1 H 0.766 0.02 2 74 . 22 LEU HD2 H 0.825 0.02 2 75 . 22 LEU HG H 1.499 0.02 1 76 . 23 GLU H H 8.224 0.02 1 77 . 23 GLU N N 123.5 0.2 1 78 . 23 GLU HA H 4.225 0.02 1 79 . 23 GLU HB2 H 1.834 0.02 2 80 . 23 GLU HB3 H 1.959 0.02 2 81 . 23 GLU HG2 H 2.175 0.02 1 82 . 23 GLU HG3 H 2.175 0.02 1 83 . 24 SER H H 8.239 0.02 1 84 . 24 SER N N 117.7 0.2 1 85 . 24 SER HA H 4.662 0.02 1 86 . 24 SER HB2 H 3.756 0.02 1 87 . 24 SER HB3 H 3.756 0.02 1 88 . 25 PRO HA H 4.36 0.02 1 89 . 25 PRO HD2 H 3.652 0.02 2 90 . 25 PRO HD3 H 3.718 0.02 2 91 . 26 ASP H H 8.164 0.02 1 92 . 26 ASP N N 119.6 0.2 1 93 . 26 ASP HA H 4.489 0.02 1 94 . 26 ASP HB2 H 2.606 0.02 1 95 . 26 ASP HB3 H 2.454 0.02 1 96 . 27 ALA H H 7.959 0.02 1 97 . 27 ALA N N 125.0 0.2 1 98 . 27 ALA HA H 4.515 0.02 1 99 . 27 ALA HB H 1.28 0.02 1 100 . 28 PRO HA H 4.425 0.02 1 101 . 28 PRO HB2 H 1.828 0.02 1 102 . 28 PRO HB3 H 2.204 0.02 1 103 . 28 PRO HG2 H 2.281 0.02 1 104 . 28 PRO HG3 H 2.443 0.02 1 105 . 28 PRO HD2 H 3.58 0.02 2 106 . 28 PRO HD3 H 3.70 0.02 2 107 . 29 THR H H 8.194 0.02 1 108 . 29 THR N N 115.1 0.2 1 109 . 29 THR HA H 4.17 0.02 1 110 . 29 THR HB H 4.053 0.02 1 111 . 29 THR HG2 H 1.114 0.02 1 112 . 30 CYS H H 8.41 0.02 1 113 . 30 CYS N N 122.7 0.2 1 114 . 30 CYS HA H 4.941 0.02 1 115 . 30 CYS HB2 H 2.903 0.02 1 116 . 30 CYS HB3 H 2.719 0.02 1 117 . 31 PRO HA H 4.462 0.02 1 118 . 31 PRO HB2 H 2.181 0.02 1 119 . 31 PRO HB3 H 2.181 0.02 1 120 . 31 PRO HG2 H 2.074 0.02 1 121 . 31 PRO HG3 H 2.074 0.02 1 122 . 31 PRO HD2 H 3.55 0.02 1 123 . 31 PRO HD3 H 3.752 0.02 1 124 . 32 LYS H H 8.436 0.02 1 125 . 32 LYS N N 120.2 0.2 1 126 . 32 LYS HA H 3.958 0.02 1 127 . 32 LYS HB2 H 1.697 0.02 2 128 . 32 LYS HB3 H 1.756 0.02 2 129 . 32 LYS HG2 H 1.358 0.02 1 130 . 32 LYS HG3 H 1.453 0.02 1 131 . 32 LYS HD2 H 1.595 0.02 1 132 . 32 LYS HD3 H 1.595 0.02 1 133 . 32 LYS HE2 H 2.914 0.02 1 134 . 32 LYS HE3 H 2.914 0.02 1 135 . 33 GLN H H 7.612 0.02 1 136 . 33 GLN N N 115.6 0.2 1 137 . 33 GLN HA H 4.39 0.02 1 138 . 33 GLN HB2 H 1.865 0.02 1 139 . 33 GLN HB3 H 1.786 0.02 1 140 . 33 GLN HG2 H 2.16 0.02 1 141 . 33 GLN HG3 H 2.16 0.02 1 142 . 34 CYS H H 8.724 0.02 1 143 . 34 CYS N N 124.0 0.2 1 144 . 34 CYS HA H 4.643 0.02 1 145 . 34 CYS HB2 H 2.744 0.02 2 146 . 34 CYS HB3 H 3.091 0.02 2 147 . 35 ARG H H 8.595 0.02 1 148 . 35 ARG N N 127.7 0.2 1 149 . 35 ARG HA H 4.469 0.02 1 150 . 35 ARG HB2 H 1.682 0.02 1 151 . 35 ARG HB3 H 1.62 0.02 1 152 . 35 ARG HG2 H 1.448 0.02 1 153 . 35 ARG HG3 H 1.448 0.02 1 154 . 35 ARG HD2 H 3.066 0.02 1 155 . 35 ARG HD3 H 3.066 0.02 1 156 . 35 ARG HE H 7.118 0.02 1 157 . 36 ARG H H 8.364 0.02 1 158 . 36 ARG N N 124.1 0.2 1 159 . 36 ARG HA H 4.448 0.02 1 160 . 36 ARG HB2 H 1.651 0.02 1 161 . 36 ARG HB3 H 1.717 0.02 1 162 . 36 ARG HG2 H 1.478 0.02 1 163 . 36 ARG HG3 H 1.534 0.02 1 164 . 36 ARG HD2 H 2.693 0.02 2 165 . 36 ARG HD3 H 2.937 0.02 2 166 . 36 ARG HE H 7.023 0.02 1 167 . 37 THR H H 8.682 0.02 1 168 . 37 THR N N 118.3 0.2 1 169 . 37 THR HA H 4.579 0.02 1 170 . 37 THR HB H 4.092 0.02 1 171 . 37 THR HG2 H 1.077 0.02 1 172 . 38 GLY H H 8.519 0.02 1 173 . 38 GLY N N 109.7 0.2 1 174 . 38 GLY HA2 H 3.853 0.02 1 175 . 38 GLY HA3 H 3.954 0.02 1 176 . 39 THR H H 8.339 0.02 1 177 . 39 THR N N 108.9 0.2 1 178 . 39 THR HA H 4.598 0.02 1 179 . 39 THR HB H 4.556 0.02 1 180 . 39 THR HG1 H 5.659 0.02 1 181 . 39 THR HG2 H 1.146 0.02 1 182 . 40 LEU H H 8.852 0.02 1 183 . 40 LEU N N 125.7 0.2 1 184 . 40 LEU HA H 2.952 0.02 1 185 . 40 LEU HB2 H 1.665 0.02 1 186 . 40 LEU HB3 H 1.371 0.02 1 187 . 40 LEU HD1 H 0.755 0.02 1 188 . 40 LEU HD2 H 0.547 0.02 1 189 . 40 LEU HG H 1.315 0.02 1 190 . 41 GLN H H 8.451 0.02 1 191 . 41 GLN N N 116.2 0.2 1 192 . 41 GLN HA H 3.674 0.02 1 193 . 41 GLN HB2 H 1.847 0.02 1 194 . 41 GLN HB3 H 1.942 0.02 1 195 . 41 GLN HG2 H 2.14 0.02 1 196 . 41 GLN HG3 H 2.4 0.02 1 197 . 41 GLN NE2 N 111.4 0.2 1 198 . 41 GLN HE21 H 7.41 0.02 1 199 . 41 GLN HE22 H 6.843 0.02 1 200 . 42 SER H H 8.296 0.02 1 201 . 42 SER N N 117.9 0.2 1 202 . 42 SER HA H 4.001 0.02 1 203 . 42 SER HB2 H 3.696 0.02 1 204 . 42 SER HB3 H 3.911 0.02 1 205 . 42 SER HG H 5.661 0.02 1 206 . 43 ASN H H 7.975 0.02 1 207 . 43 ASN N N 123.1 0.2 1 208 . 43 ASN HA H 4.326 0.02 1 209 . 43 ASN HB2 H 2.165 0.02 1 210 . 43 ASN HB3 H 2.552 0.02 1 211 . 43 ASN ND2 N 118.5 0.2 1 212 . 43 ASN HD21 H 7.004 0.02 1 213 . 43 ASN HD22 H 7.978 0.02 1 214 . 44 PHE H H 8.266 0.02 1 215 . 44 PHE N N 120.2 0.2 1 216 . 44 PHE HA H 4.031 0.02 1 217 . 44 PHE HB2 H 2.904 0.02 1 218 . 44 PHE HB3 H 3.185 0.02 1 219 . 44 PHE HD1 H 6.9 0.02 1 220 . 44 PHE HD2 H 6.9 0.02 1 221 . 44 PHE HE1 H 7.08 0.02 1 222 . 44 PHE HE2 H 7.08 0.02 1 223 . 44 PHE HZ H 7.08 0.02 1 224 . 45 CYS H H 7.622 0.02 1 225 . 45 CYS N N 113.5 0.2 1 226 . 45 CYS HA H 4.341 0.02 1 227 . 45 CYS HB2 H 2.978 0.02 1 228 . 45 CYS HB3 H 3.17 0.02 1 229 . 46 ALA H H 7.363 0.02 1 230 . 46 ALA N N 120.6 0.2 1 231 . 46 ALA HA H 4.285 0.02 1 232 . 46 ALA HB H 1.385 0.02 1 233 . 47 SER H H 7.11 0.02 1 234 . 47 SER N N 115.3 0.2 1 235 . 47 SER HA H 4.526 0.02 1 236 . 47 SER HB2 H 4.062 0.02 1 237 . 47 SER HB3 H 3.456 0.02 1 238 . 47 SER HG H 4.721 0.02 1 239 . 48 SER H H 7.881 0.02 1 240 . 48 SER N N 117.2 0.2 1 241 . 48 SER HA H 4.319 0.02 1 242 . 48 SER HB2 H 3.901 0.02 1 243 . 48 SER HB3 H 3.901 0.02 1 244 . 49 LEU H H 7.491 0.02 1 245 . 49 LEU N N 122.9 0.2 1 246 . 49 LEU HA H 4.554 0.02 1 247 . 49 LEU HB2 H 0.975 0.02 1 248 . 49 LEU HB3 H 1.289 0.02 1 249 . 49 LEU HD1 H 0.758 0.02 1 250 . 49 LEU HD2 H 0.68 0.02 1 251 . 49 LEU HG H 1.342 0.02 1 252 . 50 VAL H H 9.058 0.02 1 253 . 50 VAL N N 125.2 0.2 1 254 . 50 VAL HA H 5.198 0.02 1 255 . 50 VAL HB H 1.82 0.02 1 256 . 50 VAL HG1 H 1.044 0.02 1 257 . 50 VAL HG2 H 0.643 0.02 1 258 . 51 VAL H H 9.083 0.02 1 259 . 51 VAL N N 119.6 0.2 1 260 . 51 VAL HA H 5.32 0.02 1 261 . 51 VAL HB H 2.641 0.02 1 262 . 51 VAL HG1 H 0.893 0.02 1 263 . 51 VAL HG2 H 0.786 0.02 1 264 . 52 THR H H 9.143 0.02 1 265 . 52 THR N N 111.8 0.2 1 266 . 52 THR HA H 5.562 0.02 1 267 . 52 THR HB H 3.472 0.02 1 268 . 52 THR HG1 H 5.377 0.02 1 269 . 52 THR HG2 H 1.104 0.02 1 270 . 53 ALA H H 9.329 0.02 1 271 . 53 ALA N N 124.8 0.2 1 272 . 53 ALA HA H 4.954 0.02 1 273 . 53 ALA HB H 1.228 0.02 1 274 . 54 THR H H 8.791 0.02 1 275 . 54 THR N N 117.7 0.2 1 276 . 54 THR HA H 4.945 0.02 1 277 . 54 THR HB H 3.653 0.02 1 278 . 54 THR HG2 H 0.899 0.02 1 279 . 55 VAL H H 8.452 0.02 1 280 . 55 VAL N N 127.0 0.2 1 281 . 55 VAL HA H 3.719 0.02 1 282 . 55 VAL HB H 2.575 0.02 1 283 . 55 VAL HG1 H 0.745 0.02 1 284 . 55 VAL HG2 H 1.001 0.02 1 285 . 56 LYS H H 9.27 0.02 1 286 . 56 LYS N N 130.1 0.2 1 287 . 56 LYS HA H 4.529 0.02 1 288 . 56 LYS HB2 H 1.556 0.02 1 289 . 56 LYS HB3 H 1.68 0.02 1 290 . 56 LYS HG2 H 1.32 0.02 1 291 . 56 LYS HG3 H 1.335 0.02 1 292 . 56 LYS HD2 H 1.52 0.02 1 293 . 56 LYS HD3 H 1.42 0.02 1 294 . 56 LYS HE2 H 2.792 0.02 1 295 . 56 LYS HE3 H 2.888 0.02 1 296 . 57 SER H H 7.827 0.02 1 297 . 57 SER N N 110.4 0.2 1 298 . 57 SER HA H 4.609 0.02 1 299 . 57 SER HB2 H 3.727 0.02 1 300 . 57 SER HB3 H 3.749 0.02 1 301 . 58 MET H H 8.743 0.02 1 302 . 58 MET N N 123.5 0.2 1 303 . 58 MET HA H 5.078 0.02 1 304 . 58 MET HB2 H 1.943 0.02 1 305 . 58 MET HB3 H 1.858 0.02 1 306 . 58 MET HG2 H 2.125 0.02 1 307 . 58 MET HG3 H 2.309 0.02 1 308 . 58 MET HE H 1.904 0.02 1 309 . 59 VAL H H 8.637 0.02 1 310 . 59 VAL N N 122.9 0.2 1 311 . 59 VAL HA H 4.417 0.02 1 312 . 59 VAL HB H 1.997 0.02 1 313 . 59 VAL HG1 H 0.913 0.02 1 314 . 59 VAL HG2 H 0.878 0.02 1 315 . 60 ARG H H 8.624 0.02 1 316 . 60 ARG N N 125.8 0.2 1 317 . 60 ARG HA H 4.286 0.02 1 318 . 60 ARG HB2 H 1.742 0.02 1 319 . 60 ARG HB3 H 1.797 0.02 1 320 . 60 ARG HG2 H 1.52 0.02 1 321 . 60 ARG HG3 H 1.684 0.02 1 322 . 60 ARG HD2 H 3.135 0.02 1 323 . 60 ARG HD3 H 3.135 0.02 1 324 . 60 ARG HE H 7.126 0.02 1 325 . 61 GLU H H 7.81 0.02 1 326 . 61 GLU N N 125.7 0.2 1 327 . 61 GLU HA H 4.696 0.02 1 328 . 61 GLU HB2 H 1.44 0.02 1 329 . 61 GLU HB3 H 2.162 0.02 1 330 . 61 GLU HG2 H 2.113 0.02 1 331 . 61 GLU HG3 H 2.113 0.02 1 332 . 62 PRO HA H 4.233 0.02 1 333 . 62 PRO HB2 H 1.941 0.02 1 334 . 62 PRO HB3 H 2.239 0.02 1 335 . 62 PRO HG2 H 2.03 0.02 1 336 . 62 PRO HG3 H 2.165 0.02 1 337 . 62 PRO HD2 H 3.614 0.02 1 338 . 62 PRO HD3 H 3.698 0.02 1 339 . 63 GLY H H 8.461 0.02 1 340 . 63 GLY N N 111.8 0.2 1 341 . 63 GLY HA2 H 3.741 0.02 1 342 . 63 GLY HA3 H 4.06 0.02 1 343 . 64 GLU H H 8.451 0.02 1 344 . 64 GLU N N 120.0 0.2 1 345 . 64 GLU HA H 4.357 0.02 1 346 . 64 GLU HB2 H 2.033 0.02 1 347 . 64 GLU HB3 H 2.301 0.02 1 348 . 64 GLU HG2 H 2.164 0.02 1 349 . 64 GLU HG3 H 2.164 0.02 1 350 . 65 GLY H H 7.907 0.02 1 351 . 65 GLY N N 106.5 0.2 1 352 . 65 GLY HA2 H 3.777 0.02 1 353 . 65 GLY HA3 H 4.147 0.02 1 354 . 66 LEU H H 8.505 0.02 1 355 . 66 LEU N N 119.3 0.2 1 356 . 66 LEU HA H 4.935 0.02 1 357 . 66 LEU HB2 H 1.281 0.02 1 358 . 66 LEU HB3 H 1.342 0.02 1 359 . 66 LEU HD1 H 0.702 0.02 1 360 . 66 LEU HD2 H 0.693 0.02 1 361 . 66 LEU HG H 1.291 0.02 1 362 . 67 ALA H H 9.096 0.02 1 363 . 67 ALA N N 123.8 0.2 1 364 . 67 ALA HA H 5.202 0.02 1 365 . 67 ALA HB H 1.267 0.02 1 366 . 68 VAL H H 9.269 0.02 1 367 . 68 VAL N N 127.1 0.2 1 368 . 68 VAL HA H 4.858 0.02 1 369 . 68 VAL HB H 1.779 0.02 1 370 . 68 VAL HG1 H 0.803 0.02 1 371 . 68 VAL HG2 H 0.769 0.02 1 372 . 69 THR H H 8.8 0.02 1 373 . 69 THR N N 124.4 0.2 1 374 . 69 THR HA H 5.065 0.02 1 375 . 69 THR HB H 4.011 0.02 1 376 . 69 THR HG2 H 1.047 0.02 1 377 . 70 VAL H H 9.351 0.02 1 378 . 70 VAL N N 120.5 0.2 1 379 . 70 VAL HA H 5.314 0.02 1 380 . 70 VAL HB H 1.962 0.02 1 381 . 70 VAL HG1 H 0.743 0.02 1 382 . 70 VAL HG2 H 0.831 0.02 1 383 . 71 SER H H 8.897 0.02 1 384 . 71 SER N N 115.6 0.2 1 385 . 71 SER HA H 5.003 0.02 1 386 . 71 SER HB2 H 3.501 0.02 1 387 . 71 SER HB3 H 3.643 0.02 1 388 . 72 LEU H H 9.251 0.02 1 389 . 72 LEU N N 125.3 0.2 1 390 . 72 LEU HA H 4.104 0.02 1 391 . 72 LEU HB2 H 2.132 0.02 1 392 . 72 LEU HB3 H 0.961 0.02 1 393 . 72 LEU HD1 H 0.8 0.02 1 394 . 72 LEU HD2 H 0.8 0.02 1 395 . 72 LEU HG H 1.727 0.02 1 396 . 73 ILE H H 9.232 0.02 1 397 . 73 ILE N N 126.2 0.2 1 398 . 73 ILE HA H 3.935 0.02 1 399 . 73 ILE HB H 1.51 0.02 1 400 . 73 ILE HG2 H 0.715 0.02 1 401 . 73 ILE HG12 H 0.78 0.02 1 402 . 73 ILE HG13 H 1.418 0.02 1 403 . 73 ILE HD1 H 0.528 0.02 1 404 . 74 GLY H H 8.058 0.02 1 405 . 74 GLY N N 108.0 0.2 1 406 . 74 GLY HA2 H 4.201 0.02 1 407 . 74 GLY HA3 H 3.351 0.02 1 408 . 75 ALA H H 8.212 0.02 1 409 . 75 ALA N N 121.5 0.2 1 410 . 75 ALA HA H 4.75 0.02 1 411 . 75 ALA HB H 1.002 0.02 1 412 . 76 TYR H H 8.113 0.02 1 413 . 76 TYR N N 120.3 0.2 1 414 . 76 TYR HA H 4.47 0.02 1 415 . 76 TYR HB2 H 2.467 0.02 1 416 . 76 TYR HB3 H 3.194 0.02 1 417 . 76 TYR HD1 H 6.8 0.02 1 418 . 76 TYR HD2 H 6.8 0.02 1 419 . 76 TYR HE1 H 6.76 0.02 1 420 . 76 TYR HE2 H 6.76 0.02 1 421 . 77 LYS H H 7.816 0.02 1 422 . 77 LYS N N 118.3 0.2 1 423 . 77 LYS HA H 4.676 0.02 1 424 . 77 LYS HB2 H 1.757 0.02 1 425 . 77 LYS HB3 H 1.757 0.02 1 426 . 77 LYS HG2 H 1.288 0.02 1 427 . 77 LYS HG3 H 1.351 0.02 1 428 . 77 LYS HD2 H 1.604 0.02 1 429 . 77 LYS HD3 H 1.604 0.02 1 430 . 77 LYS HE2 H 2.958 0.02 1 431 . 77 LYS HE3 H 2.958 0.02 1 432 . 78 THR H H 8.933 0.02 1 433 . 78 THR N N 112.9 0.2 1 434 . 78 THR HA H 4.218 0.02 1 435 . 78 THR HB H 4.483 0.02 1 436 . 78 THR HG2 H 0.941 0.02 1 437 . 79 GLY H H 7.797 0.02 1 438 . 79 GLY N N 109.1 0.2 1 439 . 79 GLY HA2 H 3.548 0.02 1 440 . 79 GLY HA3 H 3.761 0.02 1 441 . 80 GLY H H 8.094 0.02 1 442 . 80 GLY N N 107.2 0.2 1 443 . 80 GLY HA2 H 4.028 0.02 1 444 . 80 GLY HA3 H 3.601 0.02 1 445 . 81 LEU H H 7.682 0.02 1 446 . 81 LEU N N 120.5 0.2 1 447 . 81 LEU HA H 4.138 0.02 1 448 . 81 LEU HB2 H 1.71 0.02 1 449 . 81 LEU HB3 H 1.222 0.02 1 450 . 81 LEU HD1 H 0.71 0.02 1 451 . 81 LEU HD2 H 0.71 0.02 1 452 . 81 LEU HG H 1.71 0.02 1 453 . 82 ASP H H 8.482 0.02 1 454 . 82 ASP N N 123.0 0.2 1 455 . 82 ASP HA H 4.603 0.02 1 456 . 82 ASP HB2 H 2.421 0.02 1 457 . 82 ASP HB3 H 2.602 0.02 1 458 . 83 LEU H H 7.754 0.02 1 459 . 83 LEU N N 125.0 0.2 1 460 . 83 LEU HA H 4.652 0.02 1 461 . 83 LEU HB2 H 1.486 0.02 1 462 . 83 LEU HB3 H 1.112 0.02 1 463 . 83 LEU HD1 H 0.628 0.02 1 464 . 83 LEU HD2 H 0.736 0.02 1 465 . 83 LEU HG H 1.426 0.02 1 466 . 84 PRO HA H 4.274 0.02 1 467 . 84 PRO HB2 H 1.739 0.02 1 468 . 84 PRO HB3 H 2.174 0.02 1 469 . 84 PRO HG2 H 1.906 0.02 1 470 . 84 PRO HG3 H 1.862 0.02 1 471 . 84 PRO HD2 H 3.095 0.02 1 472 . 84 PRO HD3 H 3.76 0.02 1 473 . 85 SER H H 8.055 0.02 1 474 . 85 SER N N 113.1 0.2 1 475 . 85 SER HA H 4.522 0.02 1 476 . 85 SER HB2 H 3.672 0.02 1 477 . 85 SER HB3 H 3.534 0.02 1 478 . 85 SER HG H 5.068 0.02 1 479 . 86 PRO HA H 5.072 0.02 1 480 . 87 PRO HA H 3.774 0.02 1 481 . 87 PRO HB2 H 1.993 0.02 1 482 . 87 PRO HB3 H 1.66 0.02 1 483 . 87 PRO HG2 H 1.76 0.02 2 484 . 87 PRO HG3 H 1.863 0.02 2 485 . 87 PRO HD2 H 3.71 0.02 2 486 . 87 PRO HD3 H 3.767 0.02 2 487 . 88 THR H H 6.692 0.02 1 488 . 88 THR N N 112.9 0.2 1 489 . 88 THR HA H 3.473 0.02 1 490 . 88 THR HB H 3.717 0.02 1 491 . 88 THR HG2 H 1.195 0.02 1 492 . 89 GLY H H 9.17 0.02 1 493 . 89 GLY N N 116.8 0.2 1 494 . 89 GLY HA2 H 3.553 0.02 1 495 . 89 GLY HA3 H 4.187 0.02 1 496 . 90 ALA H H 8.18 0.02 1 497 . 90 ALA N N 124.4 0.2 1 498 . 90 ALA HA H 4.263 0.02 1 499 . 90 ALA HB H 1.324 0.02 1 500 . 91 SER H H 8.363 0.02 1 501 . 91 SER N N 115.7 0.2 1 502 . 91 SER HA H 5.346 0.02 1 503 . 91 SER HB2 H 3.608 0.02 1 504 . 91 SER HB3 H 3.66 0.02 1 505 . 92 LEU H H 8.347 0.02 1 506 . 92 LEU N N 124.5 0.2 1 507 . 92 LEU HA H 4.419 0.02 1 508 . 92 LEU HB2 H 1.228 0.02 1 509 . 92 LEU HB3 H 1.118 0.02 1 510 . 92 LEU HD1 H 0.463 0.02 1 511 . 92 LEU HD2 H 0.691 0.02 1 512 . 92 LEU HG H 1.107 0.02 1 513 . 93 LYS H H 8.228 0.02 1 514 . 93 LYS N N 127.0 0.2 1 515 . 93 LYS HA H 5.097 0.02 1 516 . 93 LYS HB2 H 1.629 0.02 1 517 . 93 LYS HB3 H 1.479 0.02 1 518 . 93 LYS HG2 H 1.182 0.02 1 519 . 93 LYS HG3 H 1.03 0.02 1 520 . 93 LYS HD2 H 1.499 0.02 1 521 . 93 LYS HD3 H 1.499 0.02 1 522 . 93 LYS HE2 H 2.782 0.02 1 523 . 93 LYS HE3 H 2.782 0.02 1 524 . 94 PHE H H 9.303 0.02 1 525 . 94 PHE N N 122.5 0.2 1 526 . 94 PHE HA H 4.608 0.02 1 527 . 94 PHE HB2 H 2.645 0.02 1 528 . 94 PHE HB3 H 2.446 0.02 1 529 . 94 PHE HD1 H 6.8 0.02 1 530 . 94 PHE HD2 H 6.8 0.02 1 531 . 94 PHE HE1 H 6.83 0.02 1 532 . 94 PHE HE2 H 6.83 0.02 1 533 . 94 PHE HZ H 6.711 0.02 1 534 . 95 TYR H H 8.625 0.02 1 535 . 95 TYR N N 122.5 0.2 1 536 . 95 TYR HA H 5.06 0.02 1 537 . 95 TYR HB2 H 3.084 0.02 1 538 . 95 TYR HB3 H 2.79 0.02 1 539 . 95 TYR HD1 H 6.93 0.02 1 540 . 95 TYR HD2 H 6.93 0.02 1 541 . 95 TYR HE1 H 6.62 0.02 1 542 . 95 TYR HE2 H 6.62 0.02 1 543 . 96 VAL H H 8.456 0.02 1 544 . 96 VAL N N 130.1 0.2 1 545 . 96 VAL HA H 4.268 0.02 1 546 . 96 VAL HB H 1.845 0.02 1 547 . 96 VAL HG1 H 0.736 0.02 1 548 . 96 VAL HG2 H 0.628 0.02 1 549 . 97 PRO HA H 5.072 0.02 1 550 . 97 PRO HB2 H 1.991 0.02 1 551 . 97 PRO HB3 H 2.496 0.02 1 552 . 97 PRO HG2 H 1.946 0.02 1 553 . 97 PRO HG3 H 1.877 0.02 1 554 . 97 PRO HD2 H 2.853 0.02 1 555 . 97 PRO HD3 H 3.766 0.02 1 556 . 98 CYS H H 8.354 0.02 1 557 . 98 CYS N N 115.1 0.2 1 558 . 98 CYS HA H 4.818 0.02 1 559 . 98 CYS HB2 H 3.036 0.02 1 560 . 98 CYS HB3 H 3.237 0.02 1 561 . 99 LYS H H 8.477 0.02 1 562 . 99 LYS N N 123.0 0.2 1 563 . 99 LYS HA H 3.702 0.02 1 564 . 99 LYS HB2 H 1.767 0.02 1 565 . 99 LYS HB3 H 1.652 0.02 1 566 . 99 LYS HG2 H 1.416 0.02 1 567 . 99 LYS HG3 H 1.221 0.02 1 568 . 99 LYS HD2 H 1.562 0.02 1 569 . 99 LYS HD3 H 1.562 0.02 1 570 . 100 GLN H H 8.350 0.02 1 571 . 100 GLN N N 121.3 0.2 1 572 . 100 GLN HA H 4.222 0.02 1 573 . 101 CYS H H 7.427 0.02 1 574 . 101 CYS N N 117.0 0.2 1 575 . 101 CYS HA H 4.893 0.02 1 576 . 101 CYS HB2 H 2.629 0.02 2 577 . 101 CYS HB3 H 2.699 0.02 2 578 . 102 PRO HA H 4.753 0.02 1 579 . 102 PRO HB2 H 2.26 0.02 1 580 . 102 PRO HB3 H 1.377 0.02 1 581 . 102 PRO HG2 H 1.589 0.02 2 582 . 102 PRO HG3 H 1.727 0.02 2 583 . 102 PRO HD2 H 3.24 0.02 1 584 . 102 PRO HD3 H 3.319 0.02 1 585 . 103 PRO HA H 4.303 0.02 1 586 . 103 PRO HB2 H 1.931 0.02 1 587 . 103 PRO HB3 H 1.931 0.02 1 588 . 103 PRO HD2 H 3.555 0.02 1 589 . 103 PRO HD3 H 3.87 0.02 1 590 . 104 MET H H 7.946 0.02 1 591 . 104 MET N N 122.2 0.2 1 592 . 104 MET HA H 4.371 0.02 1 593 . 104 MET HB2 H 1.426 0.02 1 594 . 104 MET HB3 H 1.506 0.02 1 595 . 104 MET HG2 H 1.167 0.02 1 596 . 104 MET HG3 H 1.753 0.02 1 597 . 104 MET HE H 1.352 0.02 1 598 . 105 LYS H H 8.122 0.02 1 599 . 105 LYS N N 119.9 0.2 1 600 . 105 LYS HA H 4.471 0.02 1 601 . 105 LYS HB2 H 1.526 0.02 1 602 . 105 LYS HB3 H 1.699 0.02 1 603 . 105 LYS HG2 H 1.31 0.02 1 604 . 105 LYS HG3 H 1.585 0.02 1 605 . 105 LYS HD2 H 1.617 0.02 1 606 . 105 LYS HD3 H 1.617 0.02 1 607 . 105 LYS HE2 H 2.89 0.02 1 608 . 105 LYS HE3 H 2.89 0.02 1 609 . 106 LYS H H 8.325 0.02 1 610 . 106 LYS N N 121.4 0.2 1 611 . 106 LYS HA H 3.594 0.02 1 612 . 106 LYS HB2 H 1.706 0.02 1 613 . 106 LYS HB3 H 1.644 0.02 1 614 . 106 LYS HG2 H 1.177 0.02 1 615 . 106 LYS HG3 H 1.246 0.02 1 616 . 106 LYS HD2 H 1.623 0.02 2 617 . 106 LYS HD3 H 1.706 0.02 2 618 . 106 LYS HE2 H 2.977 0.02 2 619 . 106 LYS HE3 H 3.016 0.02 2 620 . 107 GLY H H 8.765 0.02 1 621 . 107 GLY N N 112.7 0.2 1 622 . 107 GLY HA2 H 3.592 0.02 1 623 . 107 GLY HA3 H 4.159 0.02 1 624 . 108 VAL H H 7.347 0.02 1 625 . 108 VAL N N 123.0 0.2 1 626 . 108 VAL HA H 3.959 0.02 1 627 . 108 VAL HB H 2.093 0.02 1 628 . 108 VAL HG1 H 0.364 0.02 1 629 . 108 VAL HG2 H 0.692 0.02 1 630 . 109 SER H H 8.017 0.02 1 631 . 109 SER N N 120.9 0.2 1 632 . 109 SER HA H 5.49 0.02 1 633 . 109 SER HB2 H 3.718 0.02 1 634 . 109 SER HB3 H 3.445 0.02 1 635 . 110 TYR H H 9.272 0.02 1 636 . 110 TYR N N 121.8 0.2 1 637 . 110 TYR HA H 5.061 0.02 1 638 . 110 TYR HB2 H 2.072 0.02 1 639 . 110 TYR HB3 H 2.926 0.02 1 640 . 110 TYR HD1 H 6.62 0.02 1 641 . 110 TYR HD2 H 6.62 0.02 1 642 . 110 TYR HE1 H 6.73 0.02 1 643 . 110 TYR HE2 H 6.73 0.02 1 644 . 111 LEU H H 9.172 0.02 1 645 . 111 LEU N N 123.8 0.2 1 646 . 111 LEU HA H 4.672 0.02 1 647 . 111 LEU HB2 H 1.491 0.02 1 648 . 111 LEU HB3 H 1.906 0.02 1 649 . 111 LEU HD1 H 0.842 0.02 2 650 . 111 LEU HD2 H 0.789 0.02 2 651 . 111 LEU HG H 1.564 0.02 1 652 . 112 LEU H H 9.185 0.02 1 653 . 112 LEU N N 125.1 0.2 1 654 . 112 LEU HA H 4.696 0.02 1 655 . 112 LEU HB2 H 1.667 0.02 1 656 . 112 LEU HB3 H 0.846 0.02 1 657 . 112 LEU HD1 H 0.343 0.02 1 658 . 112 LEU HD2 H 0.464 0.02 1 659 . 112 LEU HG H 1.369 0.02 1 660 . 113 MET H H 7.524 0.02 1 661 . 113 MET N N 120.3 0.2 1 662 . 113 MET HA H 5.459 0.02 1 663 . 113 MET HB2 H 1.872 0.02 1 664 . 113 MET HB3 H 2.578 0.02 1 665 . 113 MET HG2 H 2.551 0.02 1 666 . 113 MET HG3 H 2.777 0.02 1 667 . 113 MET HE H 2.046 0.02 1 668 . 114 GLY H H 8.932 0.02 1 669 . 114 GLY N N 107.8 0.2 1 670 . 114 GLY HA2 H 3.749 0.02 1 671 . 114 GLY HA3 H 4.999 0.02 1 672 . 115 GLN H H 8.397 0.02 1 673 . 115 GLN N N 116.9 0.2 1 674 . 115 GLN HA H 5.253 0.02 1 675 . 115 GLN HB2 H 1.478 0.02 1 676 . 115 GLN HB3 H 2.212 0.02 1 677 . 115 GLN HG2 H 2.429 0.02 1 678 . 115 GLN HG3 H 2.429 0.02 1 679 . 115 GLN NE2 N 111.1 0.2 1 680 . 115 GLN HE21 H 7.471 0.02 1 681 . 115 GLN HE22 H 6.976 0.02 1 682 . 116 VAL H H 8.051 0.02 1 683 . 116 VAL N N 118.2 0.2 1 684 . 116 VAL HA H 4.223 0.02 1 685 . 116 VAL HB H 1.863 0.02 1 686 . 116 VAL HG1 H 0.636 0.02 1 687 . 116 VAL HG2 H 0.782 0.02 1 688 . 117 GLU H H 8.297 0.02 1 689 . 117 GLU N N 128.1 0.2 1 690 . 117 GLU HA H 4.581 0.02 1 691 . 117 GLU HB2 H 1.833 0.02 1 692 . 117 GLU HB3 H 2.079 0.02 1 693 . 117 GLU HG2 H 2.243 0.02 1 694 . 117 GLU HG3 H 2.243 0.02 1 695 . 118 GLU H H 9.032 0.02 1 696 . 118 GLU N N 127.3 0.2 1 697 . 118 GLU HA H 3.866 0.02 1 698 . 118 GLU HB2 H 1.941 0.02 1 699 . 118 GLU HB3 H 1.869 0.02 1 700 . 118 GLU HG2 H 2.17 0.02 1 701 . 118 GLU HG3 H 2.217 0.02 1 702 . 119 ASN H H 8.691 0.02 1 703 . 119 ASN N N 116.0 0.2 1 704 . 119 ASN HA H 4.412 0.02 1 705 . 119 ASN HB2 H 2.898 0.02 1 706 . 119 ASN HB3 H 2.797 0.02 1 707 . 119 ASN ND2 N 113.6 0.2 1 708 . 119 ASN HD21 H 7.55 0.02 1 709 . 119 ASN HD22 H 6.852 0.02 1 710 . 120 ARG H H 7.915 0.02 1 711 . 120 ARG N N 117.4 0.2 1 712 . 120 ARG HA H 4.222 0.02 1 713 . 120 ARG HB2 H 1.584 0.02 1 714 . 120 ARG HB3 H 1.528 0.02 1 715 . 120 ARG HG2 H 1.344 0.02 2 716 . 120 ARG HG3 H 1.41 0.02 2 717 . 120 ARG HD2 H 2.629 0.02 2 718 . 120 ARG HD3 H 2.764 0.02 2 719 . 120 ARG HE H 6.981 0.02 1 720 . 121 GLY H H 8.296 0.02 1 721 . 121 GLY N N 108.6 0.2 1 722 . 121 GLY HA2 H 3.649 0.02 1 723 . 121 GLY HA3 H 4.442 0.02 1 724 . 122 PRO HA H 4.809 0.02 1 725 . 122 PRO HB2 H 1.56 0.02 1 726 . 122 PRO HB3 H 1.346 0.02 1 727 . 122 PRO HG2 H 1.72 0.02 2 728 . 122 PRO HG3 H 1.399 0.02 2 729 . 122 PRO HD2 H 3.75 0.02 1 730 . 122 PRO HD3 H 3.75 0.02 1 731 . 123 VAL H H 9.308 0.02 1 732 . 123 VAL N N 123.0 0.2 1 733 . 123 VAL HA H 5.589 0.02 1 734 . 123 VAL HB H 1.972 0.02 1 735 . 123 VAL HG1 H 0.971 0.02 1 736 . 123 VAL HG2 H 1.009 0.02 1 737 . 124 LEU H H 8.122 0.02 1 738 . 124 LEU N N 123.3 0.2 1 739 . 124 LEU HA H 5.06 0.02 1 740 . 124 LEU HB2 H 1.127 0.02 1 741 . 124 LEU HB3 H 1.472 0.02 1 742 . 124 LEU HD1 H 0.016 0.02 1 743 . 124 LEU HD2 H 0.367 0.02 1 744 . 124 LEU HG H 1.104 0.02 1 745 . 125 PRO HB2 H 1.93 0.02 2 746 . 125 PRO HB3 H 2.435 0.02 2 747 . 125 PRO HG2 H 1.786 0.02 1 748 . 125 PRO HG3 H 1.951 0.02 1 749 . 125 PRO HD2 H 3.44 0.02 1 750 . 125 PRO HD3 H 3.855 0.02 1 751 . 126 PRO HA H 4.333 0.02 1 752 . 126 PRO HB2 H 1.862 0.02 1 753 . 126 PRO HB3 H 2.092 0.02 1 754 . 126 PRO HG2 H 1.980 0.02 1 755 . 126 PRO HG3 H 1.980 0.02 1 756 . 127 GLU H H 8.43 0.02 1 757 . 127 GLU N N 116.5 0.2 1 758 . 127 GLU HA H 3.567 0.02 1 759 . 127 GLU HB2 H 1.926 0.02 1 760 . 127 GLU HB3 H 1.943 0.02 1 761 . 127 GLU HG2 H 2.175 0.02 2 762 . 127 GLU HG3 H 2.213 0.02 2 763 . 128 SER H H 7.822 0.02 1 764 . 128 SER N N 116.9 0.2 1 765 . 128 SER HA H 4.279 0.02 1 766 . 128 SER HB2 H 3.575 0.02 1 767 . 128 SER HB3 H 4.059 0.02 1 768 . 128 SER HG H 5.8 0.02 1 769 . 129 PHE H H 8.542 0.02 1 770 . 129 PHE N N 127.1 0.2 1 771 . 129 PHE HA H 4.179 0.02 1 772 . 129 PHE HB2 H 2.662 0.02 1 773 . 129 PHE HB3 H 3.26 0.02 1 774 . 129 PHE HD1 H 7.0 0.02 1 775 . 129 PHE HD2 H 7.0 0.02 1 776 . 129 PHE HE1 H 7.01 0.02 1 777 . 129 PHE HE2 H 7.01 0.02 1 778 . 129 PHE HZ H 7.169 0.02 1 779 . 130 VAL H H 7.008 0.02 1 780 . 130 VAL N N 128.7 0.2 1 781 . 130 VAL HA H 5.115 0.02 1 782 . 130 VAL HB H 1.491 0.02 1 783 . 130 VAL HG1 H 0.35 0.02 1 784 . 130 VAL HG2 H 0.637 0.02 1 785 . 131 VAL H H 8.344 0.02 1 786 . 131 VAL N N 118.8 0.2 1 787 . 131 VAL HA H 4.688 0.02 1 788 . 131 VAL HB H 2.121 0.02 1 789 . 131 VAL HG1 H 0.349 0.02 1 790 . 131 VAL HG2 H 0.78 0.02 1 791 . 132 LEU H H 8.353 0.02 1 792 . 132 LEU N N 123.3 0.2 1 793 . 132 LEU HA H 3.974 0.02 1 794 . 132 LEU HB2 H 1.474 0.02 1 795 . 132 LEU HB3 H 1.359 0.02 1 796 . 132 LEU HD1 H 0.647 0.02 2 797 . 132 LEU HD2 H 0.809 0.02 2 798 . 132 LEU HG H 1.596 0.02 1 799 . 133 HIS H H 8.286 0.02 1 800 . 133 HIS N N 124.6 0.2 1 801 . 133 HIS HA H 5.107 0.02 1 802 . 133 HIS HB2 H 2.459 0.02 1 803 . 133 HIS HB3 H 2.372 0.02 1 804 . 133 HIS HD2 H 7.28 0.02 1 805 . 134 ARG H H 7.116 0.02 1 806 . 134 ARG N N 126.2 0.2 1 807 . 134 ARG HA H 4.434 0.02 1 808 . 134 ARG HB2 H 1.611 0.02 1 809 . 134 ARG HB3 H 1.766 0.02 1 810 . 134 ARG HG2 H 1.448 0.02 1 811 . 134 ARG HG3 H 1.567 0.02 1 812 . 134 ARG HD2 H 3.086 0.02 2 813 . 134 ARG HD3 H 3.115 0.02 2 814 . 134 ARG HE H 7.12 0.02 1 815 . 135 PRO HA H 4.074 0.02 1 816 . 135 PRO HB2 H 1.851 0.02 1 817 . 135 PRO HB3 H 2.296 0.02 1 818 . 135 PRO HG2 H 1.967 0.02 1 819 . 135 PRO HG3 H 1.967 0.02 1 820 . 135 PRO HD2 H 3.538 0.02 2 821 . 135 PRO HD3 H 3.495 0.02 2 822 . 136 ASN H H 8.088 0.02 1 823 . 136 ASN N N 114.1 0.2 1 824 . 136 ASN HA H 4.442 0.02 1 825 . 136 ASN HB2 H 2.72 0.02 1 826 . 136 ASN HB3 H 2.898 0.02 1 827 . 136 ASN ND2 N 107.1 0.2 1 828 . 136 ASN HD21 H 7.414 0.02 1 829 . 136 ASN HD22 H 6.591 0.02 1 830 . 137 GLN H H 7.876 0.02 1 831 . 137 GLN N N 118.2 0.2 1 832 . 137 GLN HA H 3.822 0.02 1 833 . 137 GLN HB2 H 2.381 0.02 1 834 . 137 GLN HB3 H 1.721 0.02 1 835 . 137 GLN HG2 H 2.203 0.02 1 836 . 137 GLN HG3 H 2.285 0.02 1 837 . 137 GLN NE2 N 111.0 0.2 1 838 . 137 GLN HE21 H 7.453 0.02 1 839 . 137 GLN HE22 H 6.585 0.02 1 840 . 138 ASP H H 7.841 0.02 1 841 . 138 ASP N N 119.5 0.2 1 842 . 138 ASP HA H 4.209 0.02 1 843 . 138 ASP HB2 H 2.766 0.02 1 844 . 138 ASP HB3 H 2.745 0.02 1 845 . 139 GLN H H 8.226 0.02 1 846 . 139 GLN N N 116.7 0.2 1 847 . 139 GLN HA H 3.98 0.02 1 848 . 139 GLN HB2 H 2.066 0.02 1 849 . 139 GLN HB3 H 1.973 0.02 1 850 . 139 GLN HG2 H 2.304 0.02 1 851 . 139 GLN HG3 H 2.304 0.02 1 852 . 139 GLN NE2 N 111.5 0.2 1 853 . 139 GLN HE21 H 7.378 0.02 1 854 . 139 GLN HE22 H 6.797 0.02 1 855 . 140 ILE H H 7.006 0.02 1 856 . 140 ILE N N 119.7 0.2 1 857 . 140 ILE HA H 3.591 0.02 1 858 . 140 ILE HB H 1.712 0.02 1 859 . 140 ILE HG2 H 0.681 0.02 1 860 . 140 ILE HG12 H 1.01 0.02 1 861 . 140 ILE HG13 H 1.558 0.02 1 862 . 140 ILE HD1 H 0.701 0.02 1 863 . 141 LEU H H 8.243 0.02 1 864 . 141 LEU N N 119.3 0.2 1 865 . 141 LEU HA H 3.363 0.02 1 866 . 141 LEU HB2 H 1.05 0.02 1 867 . 141 LEU HB3 H 0.099 0.02 1 868 . 141 LEU HD1 H 0.33 0.02 1 869 . 141 LEU HD2 H 0.495 0.02 1 870 . 141 LEU HG H 1.393 0.02 1 871 . 142 THR H H 8.107 0.02 1 872 . 142 THR N N 115.6 0.2 1 873 . 142 THR HA H 3.932 0.02 1 874 . 142 THR HB H 4.201 0.02 1 875 . 142 THR HG2 H 1.233 0.02 1 876 . 143 ASN H H 7.644 0.02 1 877 . 143 ASN N N 120.6 0.2 1 878 . 143 ASN HA H 4.332 0.02 1 879 . 143 ASN HB2 H 2.8 0.02 1 880 . 143 ASN HB3 H 2.634 0.02 1 881 . 143 ASN ND2 N 112.2 0.2 1 882 . 143 ASN HD21 H 7.467 0.02 1 883 . 143 ASN HD22 H 6.889 0.02 1 884 . 144 LEU H H 8.135 0.02 1 885 . 144 LEU N N 120.8 0.2 1 886 . 144 LEU HA H 3.647 0.02 1 887 . 144 LEU HB2 H 0.817 0.02 1 888 . 144 LEU HB3 H 0.178 0.02 1 889 . 144 LEU HD1 H 0.247 0.02 1 890 . 144 LEU HD2 H 0.473 0.02 1 891 . 144 LEU HG H 1.401 0.02 1 892 . 145 SER H H 7.821 0.02 1 893 . 145 SER N N 113.8 0.2 1 894 . 145 SER HA H 4.394 0.02 1 895 . 145 SER HB2 H 4.226 0.02 1 896 . 145 SER HB3 H 4.331 0.02 1 897 . 146 LYS H H 7.181 0.02 1 898 . 146 LYS N N 119.1 0.2 1 899 . 146 LYS HA H 4.379 0.02 1 900 . 146 LYS HB2 H 1.722 0.02 1 901 . 146 LYS HB3 H 2.023 0.02 1 902 . 146 LYS HG2 H 1.448 0.02 1 903 . 146 LYS HG3 H 1.448 0.02 1 904 . 146 LYS HD2 H 1.567 0.02 1 905 . 146 LYS HD3 H 1.567 0.02 1 906 . 146 LYS HE2 H 2.913 0.02 1 907 . 146 LYS HE3 H 2.913 0.02 1 908 . 147 ARG H H 7.381 0.02 1 909 . 147 ARG N N 120.0 0.2 1 910 . 147 ARG HA H 4.411 0.02 1 911 . 147 ARG HB2 H 1.694 0.02 1 912 . 147 ARG HB3 H 1.797 0.02 1 913 . 147 ARG HG2 H 1.573 0.02 2 914 . 147 ARG HG3 H 1.605 0.02 2 915 . 147 ARG HD2 H 3.02 0.02 1 916 . 147 ARG HD3 H 3.02 0.02 1 917 . 147 ARG HE H 7.021 0.02 1 918 . 148 LYS H H 8.36 0.02 1 919 . 148 LYS N N 122.6 0.2 1 920 . 148 LYS HA H 4.252 0.02 1 921 . 148 LYS HB2 H 1.706 0.02 1 922 . 148 LYS HB3 H 1.706 0.02 1 923 . 148 LYS HG2 H 1.386 0.02 2 924 . 148 LYS HG3 H 1.424 0.02 2 925 . 148 LYS HD2 H 1.621 0.02 1 926 . 148 LYS HD3 H 1.621 0.02 1 927 . 148 LYS HE2 H 2.94 0.02 1 928 . 148 LYS HE3 H 2.94 0.02 1 929 . 149 CYS H H 8.844 0.02 1 930 . 149 CYS N N 124.4 0.2 1 931 . 149 CYS HA H 4.79 0.02 1 932 . 149 CYS HB2 H 3.012 0.02 1 933 . 149 CYS HB3 H 3.154 0.02 1 934 . 150 PRO HA H 4.407 0.02 1 935 . 150 PRO HB2 H 1.867 0.02 1 936 . 150 PRO HB3 H 2.242 0.02 1 937 . 150 PRO HG2 H 1.947 0.02 1 938 . 150 PRO HG3 H 1.947 0.02 1 939 . 150 PRO HD2 H 3.684 0.02 1 940 . 150 PRO HD3 H 3.791 0.02 1 941 . 151 SER H H 8.401 0.02 1 942 . 151 SER N N 116.5 0.2 1 943 . 151 SER HA H 4.297 0.02 1 944 . 151 SER HB2 H 3.78 0.02 1 945 . 151 SER HB3 H 3.78 0.02 1 946 . 152 GLN H H 8.124 0.02 1 947 . 152 GLN N N 122.5 0.2 1 948 . 152 GLN HA H 4.592 0.02 1 949 . 152 GLN HB2 H 1.857 0.02 2 950 . 152 GLN HB3 H 2.01 0.02 2 951 . 152 GLN HG2 H 2.282 0.02 1 952 . 152 GLN HG3 H 2.282 0.02 1 953 . 153 PRO HA H 4.354 0.02 1 954 . 153 PRO HB2 H 1.864 0.02 2 955 . 153 PRO HB3 H 1.957 0.02 2 956 . 153 PRO HG2 H 1.902 0.02 1 957 . 153 PRO HG3 H 1.902 0.02 1 958 . 153 PRO HD2 H 3.693 0.02 2 959 . 153 PRO HD3 H 3.582 0.02 2 960 . 154 VAL H H 7.626 0.02 1 961 . 154 VAL N N 124.0 0.2 1 962 . 154 VAL HA H 3.932 0.02 1 963 . 154 VAL HB H 1.989 0.02 1 964 . 154 VAL HG1 H 0.801 0.02 2 965 . 154 VAL HG2 H 0.826 0.02 2 stop_ save_