============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 22 1.000 -2.682 -5.339 2.425 -99.200 -91.000 TYR 26 0.840 -11.831 -1.633 -3.167 -99.200 -91.000 HIS 27 0.900 -8.835 -5.656 1.332 -99.200 -91.000 HIS 31 0.900 -0.440 -0.625 3.315 -99.200 -91.000 HIS 35 0.900 3.512 2.393 2.753 -99.200 -91.000 TYR 41 0.840 11.602 5.237 11.483 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eprA9 GLY 343 HA2 0.00 -0.03 0.20 -0.51 4.01 3.66 2eprA9 GLY 343 HA3 0.00 -0.06 0.20 -0.51 4.01 3.64 2eprA9 SER 344 H 0.00 0.22 0.13 -0.55 8.46 8.26 2eprA9 SER 344 HA 0.00 0.13 0.61 -0.75 4.49 4.48 2eprA9 SER 344 HB2 0.00 0.07 -0.29 -0.04 3.95 3.70 2eprA9 SER 344 HB3 0.00 -0.05 -0.08 -0.04 3.93 3.76 2eprA9 SER 345 H 0.00 0.26 0.06 -0.55 8.46 8.24 2eprA9 SER 345 HA 0.00 0.03 0.67 -0.75 4.49 4.43 2eprA9 SER 345 HB2 0.00 0.05 -0.29 -0.04 3.95 3.68 2eprA9 SER 345 HB3 0.00 0.02 0.04 -0.04 3.93 3.95 2eprA9 GLY 346 H 0.00 0.04 0.09 -0.55 8.43 8.02 2eprA9 GLY 346 HA2 0.00 0.05 0.27 -0.51 4.01 3.83 2eprA9 GLY 346 HA3 0.00 0.25 0.90 -0.51 4.01 4.65 2eprA9 SER 347 H 0.00 0.02 0.14 -0.55 8.46 8.08 2eprA9 SER 347 HA 0.00 0.12 0.44 -0.75 4.49 4.30 2eprA9 SER 347 HB2 0.00 -0.06 0.16 -0.04 3.95 4.01 2eprA9 SER 347 HB3 0.00 0.05 0.05 -0.04 3.93 3.99 2eprA9 SER 348 H 0.00 0.05 0.05 -0.55 8.46 8.01 2eprA9 SER 348 HA 0.00 0.14 0.75 -0.75 4.49 4.64 2eprA9 SER 348 HB2 0.00 0.03 -0.21 -0.04 3.95 3.73 2eprA9 SER 348 HB3 0.00 0.03 -0.02 -0.04 3.93 3.90 2eprA9 GLY 349 H 0.00 0.14 0.04 -0.55 8.43 8.07 2eprA9 GLY 349 HA2 0.01 0.14 0.38 -0.51 4.01 4.02 2eprA9 GLY 349 HA3 0.01 -0.01 0.36 -0.51 4.01 3.85 2eprA9 ARG 350 H 0.01 0.11 0.02 -0.55 8.46 8.05 2eprA9 ARG 350 HA 0.01 0.13 0.51 -0.75 4.34 4.24 2eprA9 ARG 350 HB2 0.01 -0.04 0.14 -0.04 1.90 1.97 2eprA9 ARG 350 HB3 0.01 0.04 0.02 -0.04 1.80 1.83 2eprA9 ARG 350 HG2 0.01 0.01 0.03 -0.04 1.67 1.68 2eprA9 ARG 350 HG3 0.01 0.07 0.03 -0.04 1.67 1.75 2eprA9 ARG 350 HD2 0.01 -0.12 -0.02 -0.04 3.22 3.06 2eprA9 ARG 350 HD3 0.01 -0.00 0.03 -0.04 3.22 3.22 2eprA9 THR 351 H 0.01 0.57 0.15 -0.55 8.28 8.45 2eprA9 THR 351 HA 0.01 -0.01 0.21 -0.75 4.39 3.84 2eprA9 THR 351 HB 0.01 0.05 0.07 -0.04 4.32 4.40 2eprA9 THR 351 HG23 0.01 0.02 0.04 -0.04 1.22 1.25 2eprA9 ARG 352 H 0.01 0.11 -0.42 -0.55 8.46 7.61 2eprA9 ARG 352 HA 0.01 0.09 0.69 -0.75 4.34 4.38 2eprA9 ARG 352 HB2 0.01 0.01 -0.03 -0.04 1.90 1.86 2eprA9 ARG 352 HB3 0.01 0.02 -0.23 -0.04 1.80 1.56 2eprA9 ARG 352 HG2 0.02 -0.10 -0.01 -0.04 1.67 1.54 2eprA9 ARG 352 HG3 0.02 0.17 -0.23 -0.04 1.67 1.60 2eprA9 ARG 352 HD2 0.03 -0.06 -0.02 -0.04 3.22 3.13 2eprA9 ARG 352 HD3 0.02 0.01 -0.04 -0.04 3.22 3.16 2eprA9 LYS 353 H 0.01 0.08 0.09 -0.55 8.42 8.05 2eprA9 LYS 353 HA 0.02 0.11 0.65 -0.75 4.32 4.34 2eprA9 LYS 353 HB2 0.01 -0.08 0.21 -0.04 1.87 1.97 2eprA9 LYS 353 HB3 0.02 0.02 0.04 -0.04 1.79 1.83 2eprA9 LYS 353 HG2 0.01 0.01 0.02 -0.04 1.46 1.46 2eprA9 LYS 353 HG3 0.01 0.03 -0.04 -0.04 1.46 1.41 2eprA9 LYS 353 HD2 0.01 -0.01 0.04 -0.04 1.69 1.68 2eprA9 LYS 353 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2eprA9 LYS 353 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.94 2eprA9 LYS 353 HE3 0.01 0.04 -0.02 -0.04 2.99 2.98 2eprA9 GLN 354 H 0.02 -0.02 0.10 -0.55 8.47 8.02 2eprA9 GLN 354 HA 0.05 0.23 0.58 -0.75 4.36 4.47 2eprA9 GLN 354 HB2 0.05 0.19 0.22 -0.04 2.15 2.57 2eprA9 GLN 354 HB3 0.03 -0.08 0.13 -0.04 2.02 2.06 2eprA9 GLN 354 HG2 0.01 -0.12 -0.06 -0.04 2.40 2.19 2eprA9 GLN 354 HG3 0.01 0.14 -0.33 -0.04 2.39 2.17 2eprA9 GLN 354 HE21 -0.01 -0.01 -0.07 -0.04 6.97 6.84 2eprA9 GLN 354 HE22 -0.02 0.00 -0.05 -0.04 7.69 7.58 2eprA9 VAL 355 H 0.10 0.64 0.24 -0.55 8.24 8.66 2eprA9 VAL 355 HA 0.08 0.14 0.65 -0.75 4.13 4.24 2eprA9 VAL 355 HB 0.26 -0.06 0.00 -0.04 2.12 2.28 2eprA9 VAL 355 HG13 0.16 -0.03 -0.13 -0.04 0.97 0.93 2eprA9 VAL 355 HG23 0.11 0.01 -0.34 -0.04 0.95 0.68 2eprA9 ALA 356 H 0.06 0.20 0.04 -0.55 8.40 8.16 2eprA9 ALA 356 HA -0.03 0.34 1.04 -0.75 4.34 4.94 2eprA9 ALA 356 HB3 -0.00 0.01 -0.03 -0.04 1.41 1.35 2eprA9 CYS 357 H 0.04 0.41 0.10 -0.55 8.50 8.50 2eprA9 CYS 357 HA 0.12 0.04 0.51 -0.75 4.58 4.50 2eprA9 CYS 357 HB2 0.25 0.07 0.07 -0.04 2.97 3.33 2eprA9 CYS 357 HB3 0.15 -0.21 0.23 -0.04 2.97 3.10 2eprA9 GLU 358 H 0.06 0.19 0.29 -0.55 8.60 8.59 2eprA9 GLU 358 HA 0.03 0.18 0.55 -0.75 4.29 4.30 2eprA9 GLU 358 HB2 0.01 -0.01 0.05 -0.04 2.09 2.10 2eprA9 GLU 358 HB3 0.01 0.05 0.06 -0.04 1.99 2.07 2eprA9 GLU 358 HG2 0.01 0.01 0.02 -0.04 2.34 2.35 2eprA9 GLU 358 HG3 0.02 0.07 -0.04 -0.04 2.34 2.35 2eprA9 ILE 359 H 0.04 -0.03 -0.03 -0.55 8.25 7.68 2eprA9 ILE 359 HA -0.07 0.12 0.35 -0.75 4.18 3.83 2eprA9 ILE 359 HB -0.19 -0.10 0.04 -0.04 1.89 1.60 2eprA9 ILE 359 HG12 -0.13 0.09 0.04 -0.04 1.49 1.45 2eprA9 ILE 359 HG13 -0.03 -0.13 0.10 -0.04 1.21 1.11 2eprA9 ILE 359 HG23 -0.65 0.03 -0.06 -0.04 0.93 0.21 2eprA9 ILE 359 HD13 -0.07 0.01 0.01 -0.04 0.88 0.78 2eprA9 CYS 360 H 0.15 -0.18 -0.36 -0.55 8.50 7.56 2eprA9 CYS 360 HA 0.09 0.27 0.88 -0.75 4.58 5.07 2eprA9 CYS 360 HB2 0.18 0.05 -0.07 -0.04 2.97 3.10 2eprA9 CYS 360 HB3 0.34 0.03 -0.11 -0.04 2.97 3.18 2eprA9 GLY 361 H 0.11 -0.18 -0.04 -0.55 8.43 7.78 2eprA9 GLY 361 HA2 0.01 0.15 0.36 -0.51 4.01 4.02 2eprA9 GLY 361 HA3 0.02 0.20 0.94 -0.51 4.01 4.66 2eprA9 LYS 362 H -0.00 0.20 0.28 -0.55 8.42 8.34 2eprA9 LYS 362 HA -0.21 0.27 0.94 -0.75 4.32 4.56 2eprA9 LYS 362 HB2 -0.13 -0.12 0.05 -0.04 1.87 1.63 2eprA9 LYS 362 HB3 -0.80 0.03 -0.02 -0.04 1.79 0.97 2eprA9 LYS 362 HG2 -0.01 0.09 -0.36 -0.04 1.46 1.14 2eprA9 LYS 362 HG3 0.01 -0.01 -0.09 -0.04 1.46 1.33 2eprA9 LYS 362 HD2 0.02 0.02 -0.03 -0.04 1.69 1.66 2eprA9 LYS 362 HD3 -0.19 -0.02 0.01 -0.04 1.68 1.44 2eprA9 LYS 362 HE2 -0.24 -0.09 0.14 -0.04 2.99 2.75 2eprA9 LYS 362 HE3 -0.09 0.17 0.04 -0.04 2.99 3.08 2eprA9 ILE 363 H -0.61 0.23 0.17 -0.55 8.25 7.49 2eprA9 ILE 363 HA -0.28 0.33 1.12 -0.75 4.18 4.59 2eprA9 ILE 363 HB -0.23 -0.03 0.07 -0.04 1.89 1.67 2eprA9 ILE 363 HG12 -0.17 -0.06 -0.33 -0.04 1.49 0.89 2eprA9 ILE 363 HG13 -0.10 0.01 -0.09 -0.04 1.21 0.99 2eprA9 ILE 363 HG23 -0.09 0.03 -0.07 -0.04 0.93 0.76 2eprA9 ILE 363 HD13 -0.08 0.06 -0.12 -0.04 0.88 0.69 2eprA9 PHE 364 H -0.05 0.85 0.31 -0.55 8.34 8.89 2eprA9 PHE 364 HA -0.02 0.14 0.85 -0.75 4.62 4.84 2eprA9 PHE 364 HB2 0.05 0.02 -0.03 -0.04 3.15 3.15 2eprA9 PHE 364 HB3 0.12 -0.10 0.07 -0.04 3.06 3.11 2eprA9 PHE 364 HD2 -0.09 -0.02 -0.12 -0.04 7.28 7.01 2eprA9 PHE 364 HE2 -0.28 -0.00 -0.11 -0.04 7.38 6.95 2eprA9 PHE 364 HZ -0.50 0.04 -0.09 -0.04 7.32 6.74 2eprA9 ARG 365 H 0.22 0.15 0.17 -0.55 8.46 8.45 2eprA9 ARG 365 HA 0.09 0.10 0.52 -0.75 4.34 4.29 2eprA9 ARG 365 HB2 0.09 0.05 0.15 -0.04 1.90 2.15 2eprA9 ARG 365 HB3 0.17 -0.10 0.20 -0.04 1.80 2.03 2eprA9 ARG 365 HG2 0.07 -0.02 -0.13 -0.04 1.67 1.55 2eprA9 ARG 365 HG3 0.06 0.02 0.04 -0.04 1.67 1.75 2eprA9 ARG 365 HD2 0.04 0.03 0.00 -0.04 3.22 3.24 2eprA9 ARG 365 HD3 0.05 0.02 0.03 -0.04 3.22 3.27 2eprA9 ASP 366 H 0.25 0.03 0.08 -0.55 8.40 8.20 2eprA9 ASP 366 HA 0.08 0.36 0.91 -0.75 4.63 5.22 2eprA9 ASP 366 HB2 0.05 0.08 0.04 -0.04 2.71 2.84 2eprA9 ASP 366 HB3 0.01 -0.13 0.05 -0.04 2.70 2.59 2eprA9 VAL 367 H 0.06 0.25 0.17 -0.55 8.24 8.17 2eprA9 VAL 367 HA 0.05 0.15 0.57 -0.75 4.13 4.15 2eprA9 VAL 367 HB 0.03 0.03 0.06 -0.04 2.12 2.20 2eprA9 VAL 367 HG13 0.01 0.02 -0.02 -0.04 0.97 0.93 2eprA9 VAL 367 HG23 0.04 0.04 0.02 -0.04 0.95 1.01 2eprA9 TYR 368 H 0.08 0.10 -0.05 -0.55 8.29 7.86 2eprA9 TYR 368 HA -0.09 0.12 0.36 -0.75 4.56 4.20 2eprA9 TYR 368 HB2 -0.12 0.02 0.11 -0.04 3.06 3.03 2eprA9 TYR 368 HB3 -0.32 0.00 -0.02 -0.04 2.98 2.61 2eprA9 TYR 368 HD2 -0.16 -0.01 -0.10 -0.04 7.15 6.84 2eprA9 TYR 368 HE2 -0.05 0.03 0.00 -0.04 6.85 6.79 2eprA9 HIS 369 H -0.02 0.08 -0.65 -0.55 8.41 7.28 2eprA9 HIS 369 HA -0.09 0.16 0.53 -0.75 4.63 4.47 2eprA9 HIS 369 HB2 -0.14 0.07 0.04 -0.04 3.26 3.19 2eprA9 HIS 369 HB3 -0.52 0.07 -0.02 -0.04 3.20 2.69 2eprA9 HIS 369 HD2 0.10 -0.20 0.08 -0.04 6.97 6.91 2eprA9 HIS 369 HE1 0.05 0.06 -0.01 -0.04 7.75 7.80 2eprA9 LEU 370 H -0.12 0.16 -0.19 -0.55 8.37 7.68 2eprA9 LEU 370 HA -0.33 0.07 0.44 -0.75 4.35 3.78 2eprA9 LEU 370 HB2 0.03 -0.03 0.02 -0.04 1.64 1.63 2eprA9 LEU 370 HB3 -0.00 0.09 0.14 -0.04 1.64 1.82 2eprA9 LEU 370 HG 0.06 0.05 -0.21 -0.04 1.64 1.50 2eprA9 LEU 370 HD13 0.23 -0.01 -0.03 -0.04 0.93 1.07 2eprA9 LEU 370 HD23 0.09 -0.00 -0.06 -0.04 0.89 0.87 2eprA9 ASN 371 H -0.12 0.42 -0.27 -0.55 8.53 8.01 2eprA9 ASN 371 HA -0.07 0.06 0.34 -0.75 4.76 4.34 2eprA9 ASN 371 HB2 -0.30 0.16 0.13 -0.04 2.88 2.83 2eprA9 ASN 371 HB3 -0.20 0.03 -0.02 -0.04 2.79 2.56 2eprA9 ASN 371 HD21 -0.08 0.03 0.00 -0.04 7.03 6.94 2eprA9 ASN 371 HD22 -0.06 -0.01 -0.04 -0.04 7.74 7.58 2eprA9 ARG 372 H -0.16 0.27 -0.13 -0.55 8.46 7.89 2eprA9 ARG 372 HA -0.08 0.09 0.43 -0.75 4.34 4.02 2eprA9 ARG 372 HB2 -0.10 0.01 0.11 -0.04 1.90 1.88 2eprA9 ARG 372 HB3 -0.05 0.06 0.05 -0.04 1.80 1.81 2eprA9 ARG 372 HG2 -0.03 0.02 -0.10 -0.04 1.67 1.52 2eprA9 ARG 372 HG3 -0.05 0.00 0.07 -0.04 1.67 1.65 2eprA9 ARG 372 HD2 -0.03 -0.01 0.02 -0.04 3.22 3.16 2eprA9 ARG 372 HD3 0.00 -0.00 0.00 -0.04 3.22 3.18 2eprA9 HIS 373 H -0.05 0.22 -0.43 -0.55 8.41 7.61 2eprA9 HIS 373 HA -0.11 0.05 0.38 -0.75 4.63 4.19 2eprA9 HIS 373 HB2 -0.26 0.05 0.09 -0.04 3.26 3.11 2eprA9 HIS 373 HB3 -0.21 0.02 0.13 -0.04 3.20 3.10 2eprA9 HIS 373 HD2 0.14 0.00 -0.16 -0.04 6.97 6.91 2eprA9 HIS 373 HE1 0.04 0.03 -0.05 -0.04 7.75 7.73 2eprA9 LYS 374 H -0.02 0.44 -0.45 -0.55 8.42 7.84 2eprA9 LYS 374 HA 0.01 -0.04 0.44 -0.75 4.32 3.98 2eprA9 LYS 374 HB2 -0.01 0.27 0.18 -0.04 1.87 2.27 2eprA9 LYS 374 HB3 0.02 -0.03 -0.03 -0.04 1.79 1.72 2eprA9 LYS 374 HG2 0.09 -0.08 -0.00 -0.04 1.46 1.43 2eprA9 LYS 374 HG3 0.12 0.00 0.02 -0.04 1.46 1.56 2eprA9 LYS 374 HD2 0.05 -0.12 -0.12 -0.04 1.69 1.45 2eprA9 LYS 374 HD3 0.00 0.03 -0.13 -0.04 1.68 1.54 2eprA9 LYS 374 HE2 0.03 -0.01 -0.04 -0.04 2.99 2.93 2eprA9 LYS 374 HE3 0.01 -0.06 -0.05 -0.04 2.99 2.85 2eprA9 LEU 375 H -0.07 0.25 -0.21 -0.55 8.37 7.80 2eprA9 LEU 375 HA -0.04 0.03 0.34 -0.75 4.35 3.93 2eprA9 LEU 375 HB2 -0.06 0.22 0.17 -0.04 1.64 1.93 2eprA9 LEU 375 HB3 -0.05 -0.02 0.01 -0.04 1.64 1.54 2eprA9 LEU 375 HG -0.05 0.00 0.06 -0.04 1.64 1.61 2eprA9 LEU 375 HD13 -0.06 -0.03 0.04 -0.04 0.93 0.85 2eprA9 LEU 375 HD23 -0.03 -0.01 0.03 -0.04 0.89 0.84 2eprA9 SER 376 H -0.18 0.15 -0.53 -0.55 8.46 7.35 2eprA9 SER 376 HA -0.09 0.01 0.43 -0.75 4.49 4.09 2eprA9 SER 376 HB2 -0.15 -0.07 0.07 -0.04 3.95 3.75 2eprA9 SER 376 HB3 -0.41 0.19 0.13 -0.04 3.93 3.81 2eprA9 HIS 377 H -0.26 0.15 -0.16 -0.55 8.41 7.61 2eprA9 HIS 377 HA -0.05 -0.03 0.35 -0.75 4.63 4.14 2eprA9 HIS 377 HB2 -0.07 0.20 0.11 -0.04 3.26 3.46 2eprA9 HIS 377 HB3 -0.03 -0.14 0.05 -0.04 3.20 3.04 2eprA9 HIS 377 HD2 -0.01 -0.03 -0.02 -0.04 6.97 6.86 2eprA9 HIS 377 HE1 0.06 0.02 -0.12 -0.04 7.75 7.67 2eprA9 SER 378 H 0.10 -0.04 0.13 -0.55 8.46 8.10 2eprA9 SER 378 HA 0.03 0.30 0.93 -0.75 4.49 4.99 2eprA9 SER 378 HB2 0.04 0.09 -0.05 -0.04 3.95 3.98 2eprA9 SER 378 HB3 0.03 -0.13 0.07 -0.04 3.93 3.85 2eprA9 GLY 379 H 0.01 0.11 0.10 -0.55 8.43 8.10 2eprA9 GLY 379 HA2 -0.02 0.07 0.30 -0.51 4.01 3.86 2eprA9 GLY 379 HA3 -0.00 0.09 0.57 -0.51 4.01 4.16 2eprA9 GLU 380 H -0.01 0.21 0.05 -0.55 8.60 8.30 2eprA9 GLU 380 HA -0.03 0.22 0.87 -0.75 4.29 4.60 2eprA9 GLU 380 HB2 -0.02 0.04 0.23 -0.04 2.09 2.30 2eprA9 GLU 380 HB3 -0.02 0.00 0.06 -0.04 1.99 1.99 2eprA9 GLU 380 HG2 -0.01 -0.05 0.08 -0.04 2.34 2.32 2eprA9 GLU 380 HG3 -0.01 0.04 0.02 -0.04 2.34 2.34 2eprA9 LYS 381 H -0.01 0.06 -0.53 -0.55 8.42 7.38 2eprA9 LYS 381 HA -0.01 0.24 0.85 -0.75 4.32 4.64 2eprA9 LYS 381 HB2 -0.00 -0.04 -0.14 -0.04 1.87 1.65 2eprA9 LYS 381 HB3 0.01 -0.05 0.10 -0.04 1.79 1.81 2eprA9 LYS 381 HG2 0.01 0.00 0.01 -0.04 1.46 1.45 2eprA9 LYS 381 HG3 -0.00 0.08 0.03 -0.04 1.46 1.53 2eprA9 LYS 381 HD2 0.00 -0.00 -0.01 -0.04 1.69 1.64 2eprA9 LYS 381 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 2eprA9 LYS 381 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 2eprA9 LYS 381 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 2eprA9 PRO 382 HA 0.04 0.02 0.42 -0.51 4.44 4.41 2eprA9 PRO 382 HB2 -0.20 0.14 0.07 -0.04 2.28 2.25 2eprA9 PRO 382 HB3 -0.05 0.01 0.11 -0.04 2.02 2.05 2eprA9 PRO 382 HG2 -0.10 0.08 -0.04 -0.04 2.03 1.93 2eprA9 PRO 382 HG3 -0.07 0.03 0.01 -0.04 2.03 1.96 2eprA9 PRO 382 HD2 -0.04 0.18 -0.03 -0.04 3.68 3.75 2eprA9 PRO 382 HD3 -0.03 0.03 -0.24 -0.04 3.65 3.37 2eprA9 TYR 383 H 0.13 0.06 0.15 -0.55 8.29 8.08 2eprA9 TYR 383 HA 0.01 0.07 0.50 -0.75 4.56 4.37 2eprA9 TYR 383 HB2 0.01 0.05 0.12 -0.04 3.06 3.19 2eprA9 TYR 383 HB3 0.01 -0.02 0.13 -0.04 2.98 3.06 2eprA9 TYR 383 HD2 0.01 0.02 -0.20 -0.04 7.15 6.94 2eprA9 TYR 383 HE2 0.01 0.01 -0.10 -0.04 6.85 6.73 2eprA9 SER 384 H 0.14 0.01 0.20 -0.55 8.46 8.26 2eprA9 SER 384 HA -0.08 0.24 0.92 -0.75 4.49 4.82 2eprA9 SER 384 HB2 0.03 -0.09 0.12 -0.04 3.95 3.97 2eprA9 SER 384 HB3 -0.00 -0.00 0.03 -0.04 3.93 3.92 2eprA9 SER 385 H 0.11 -0.02 0.19 -0.55 8.46 8.20 2eprA9 SER 385 HA 0.09 0.26 0.86 -0.75 4.49 4.94 2eprA9 SER 385 HB2 0.05 0.02 0.03 -0.04 3.95 4.00 2eprA9 SER 385 HB3 0.04 -0.03 0.14 -0.04 3.93 4.04 2eprA9 GLY 386 H 0.04 0.11 0.06 -0.55 8.43 8.10 2eprA9 GLY 386 HA2 -0.00 0.02 0.33 -0.51 4.01 3.85 2eprA9 GLY 386 HA3 -0.03 0.21 0.78 -0.51 4.01 4.46 2eprA9 PRO 387 HA 0.01 0.11 0.44 -0.51 4.44 4.49 2eprA9 PRO 387 HB2 0.00 0.05 0.03 -0.04 2.28 2.32 2eprA9 PRO 387 HB3 0.01 0.02 0.13 -0.04 2.02 2.14 2eprA9 PRO 387 HG2 0.00 0.07 0.06 -0.04 2.03 2.12 2eprA9 PRO 387 HG3 0.01 0.05 0.09 -0.04 2.03 2.13 2eprA9 PRO 387 HD2 0.00 0.15 0.23 -0.04 3.68 4.03 2eprA9 PRO 387 HD3 0.02 -0.00 0.22 -0.04 3.65 3.84 2eprA9 SER 388 H -0.01 0.10 -0.32 -0.55 8.46 7.67 2eprA9 SER 388 HA -0.01 0.16 0.82 -0.75 4.49 4.70 2eprA9 SER 388 HB2 -0.01 0.06 -0.07 -0.04 3.95 3.88 2eprA9 SER 388 HB3 -0.01 -0.06 0.03 -0.04 3.93 3.85 2eprA9 SER 389 H -0.03 0.21 0.10 -0.55 8.46 8.19 2eprA9 SER 389 HA -0.04 0.21 0.80 -0.75 4.49 4.70 2eprA9 SER 389 HB2 -0.06 0.04 -0.04 -0.04 3.95 3.84 2eprA9 SER 389 HB3 -0.07 -0.13 0.11 -0.04 3.93 3.79 2eprA9 GLY 390 H -0.04 0.16 0.05 -0.55 8.43 8.05 2eprA9 GLY 390 HA2 -0.02 0.14 0.29 -0.51 4.01 3.91 2eprA9 GLY 390 HA3 -0.02 0.05 0.20 -0.51 4.01 3.73