============================================================================= 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 -2.314 -5.100 2.386 -99.200 -91.000 TYR 26 0.840 -11.602 -1.359 -2.625 -99.200 -91.000 HIS 27 0.900 -8.736 -5.880 1.181 -99.200 -91.000 HIS 31 0.900 -0.780 -0.575 3.557 -99.200 -91.000 HIS 35 0.900 3.233 2.328 3.147 -99.200 -91.000 TYR 41 0.840 11.257 -2.595 12.711 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eprA4 GLY 343 HA2 0.00 -0.03 0.14 -0.51 4.01 3.61 2eprA4 GLY 343 HA3 0.00 -0.06 0.15 -0.51 4.01 3.58 2eprA4 SER 344 H 0.00 0.13 0.00 -0.55 8.46 8.05 2eprA4 SER 344 HA 0.00 0.05 0.50 -0.75 4.49 4.28 2eprA4 SER 344 HB2 0.00 0.00 -0.00 -0.04 3.95 3.91 2eprA4 SER 344 HB3 0.00 0.21 -0.15 -0.04 3.93 3.95 2eprA4 SER 345 H 0.00 0.16 0.12 -0.55 8.46 8.19 2eprA4 SER 345 HA 0.00 0.08 0.75 -0.75 4.49 4.57 2eprA4 SER 345 HB2 0.00 0.10 0.06 -0.04 3.95 4.07 2eprA4 SER 345 HB3 0.00 -0.02 0.07 -0.04 3.93 3.94 2eprA4 GLY 346 H 0.00 0.10 0.15 -0.55 8.43 8.14 2eprA4 GLY 346 HA2 0.00 0.16 0.63 -0.51 4.01 4.30 2eprA4 GLY 346 HA3 0.00 -0.01 0.31 -0.51 4.01 3.80 2eprA4 SER 347 H 0.00 0.03 0.14 -0.55 8.46 8.08 2eprA4 SER 347 HA 0.00 0.28 0.85 -0.75 4.49 4.87 2eprA4 SER 347 HB2 0.00 0.10 0.04 -0.04 3.95 4.05 2eprA4 SER 347 HB3 0.00 -0.08 0.22 -0.04 3.93 4.03 2eprA4 SER 348 H 0.00 0.05 0.16 -0.55 8.46 8.13 2eprA4 SER 348 HA 0.00 0.00 0.31 -0.75 4.49 4.05 2eprA4 SER 348 HB2 0.00 0.24 0.11 -0.04 3.95 4.25 2eprA4 SER 348 HB3 0.00 0.00 0.13 -0.04 3.93 4.02 2eprA4 GLY 349 H 0.00 -0.03 -0.07 -0.55 8.43 7.78 2eprA4 GLY 349 HA2 0.00 0.27 0.84 -0.51 4.01 4.61 2eprA4 GLY 349 HA3 0.00 0.02 0.22 -0.51 4.01 3.74 2eprA4 ARG 350 H 0.00 -0.00 0.06 -0.55 8.46 7.97 2eprA4 ARG 350 HA 0.00 0.10 0.46 -0.75 4.34 4.14 2eprA4 ARG 350 HB2 0.00 0.12 -0.35 -0.04 1.90 1.64 2eprA4 ARG 350 HB3 0.00 -0.03 -0.07 -0.04 1.80 1.66 2eprA4 ARG 350 HG2 0.00 -0.01 -0.08 -0.04 1.67 1.54 2eprA4 ARG 350 HG3 0.00 -0.01 -0.11 -0.04 1.67 1.50 2eprA4 ARG 350 HD2 0.00 0.12 0.19 -0.04 3.22 3.49 2eprA4 ARG 350 HD3 0.00 0.00 0.03 -0.04 3.22 3.22 2eprA4 THR 351 H 0.00 0.21 0.07 -0.55 8.28 8.01 2eprA4 THR 351 HA 0.00 0.15 0.94 -0.75 4.39 4.72 2eprA4 THR 351 HB 0.00 0.03 0.04 -0.04 4.32 4.34 2eprA4 THR 351 HG23 0.00 -0.01 -0.09 -0.04 1.22 1.08 2eprA4 ARG 352 H 0.00 0.32 0.14 -0.55 8.46 8.37 2eprA4 ARG 352 HA 0.00 0.06 0.49 -0.75 4.34 4.14 2eprA4 ARG 352 HB2 0.00 0.13 -0.27 -0.04 1.90 1.72 2eprA4 ARG 352 HB3 0.00 -0.02 -0.15 -0.04 1.80 1.59 2eprA4 ARG 352 HG2 0.01 0.07 -0.07 -0.04 1.67 1.63 2eprA4 ARG 352 HG3 0.00 -0.00 0.14 -0.04 1.67 1.77 2eprA4 ARG 352 HD2 0.00 -0.02 -0.08 -0.04 3.22 3.08 2eprA4 ARG 352 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.16 2eprA4 LYS 353 H 0.01 0.22 0.20 -0.55 8.42 8.29 2eprA4 LYS 353 HA 0.01 0.16 0.88 -0.75 4.32 4.62 2eprA4 LYS 353 HB2 0.01 0.08 0.10 -0.04 1.87 2.02 2eprA4 LYS 353 HB3 0.01 0.01 -0.08 -0.04 1.79 1.69 2eprA4 LYS 353 HG2 0.01 -0.00 -0.01 -0.04 1.46 1.42 2eprA4 LYS 353 HG3 0.01 0.03 -0.03 -0.04 1.46 1.43 2eprA4 LYS 353 HD2 0.01 0.01 -0.12 -0.04 1.69 1.55 2eprA4 LYS 353 HD3 0.01 -0.08 0.03 -0.04 1.68 1.61 2eprA4 LYS 353 HE2 0.01 0.00 -0.03 -0.04 2.99 2.93 2eprA4 LYS 353 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2eprA4 GLN 354 H 0.02 0.10 0.14 -0.55 8.47 8.18 2eprA4 GLN 354 HA 0.03 0.23 0.80 -0.75 4.36 4.66 2eprA4 GLN 354 HB2 0.04 0.17 0.25 -0.04 2.15 2.56 2eprA4 GLN 354 HB3 0.02 -0.04 0.08 -0.04 2.02 2.04 2eprA4 GLN 354 HG2 0.02 -0.10 -0.04 -0.04 2.40 2.24 2eprA4 GLN 354 HG3 0.03 0.14 -0.19 -0.04 2.39 2.32 2eprA4 GLN 354 HE21 0.01 0.07 -0.01 -0.04 6.97 7.00 2eprA4 GLN 354 HE22 0.00 -0.02 -0.03 -0.04 7.69 7.61 2eprA4 VAL 355 H 0.07 0.43 0.13 -0.55 8.24 8.33 2eprA4 VAL 355 HA 0.07 0.18 0.81 -0.75 4.13 4.44 2eprA4 VAL 355 HB 0.20 -0.07 -0.14 -0.04 2.12 2.07 2eprA4 VAL 355 HG13 0.13 -0.03 -0.12 -0.04 0.97 0.91 2eprA4 VAL 355 HG23 0.05 -0.01 -0.43 -0.04 0.95 0.52 2eprA4 ALA 356 H 0.09 0.21 0.10 -0.55 8.40 8.26 2eprA4 ALA 356 HA 0.08 0.24 1.00 -0.75 4.34 4.90 2eprA4 ALA 356 HB3 0.03 0.03 -0.05 -0.04 1.41 1.38 2eprA4 CYS 357 H 0.14 0.57 0.22 -0.55 8.50 8.88 2eprA4 CYS 357 HA 0.16 0.10 0.72 -0.75 4.58 4.81 2eprA4 CYS 357 HB2 0.40 0.04 0.05 -0.04 2.97 3.42 2eprA4 CYS 357 HB3 0.25 -0.08 0.19 -0.04 2.97 3.29 2eprA4 GLU 358 H 0.07 0.24 0.24 -0.55 8.60 8.61 2eprA4 GLU 358 HA 0.03 0.16 0.51 -0.75 4.29 4.23 2eprA4 GLU 358 HB2 0.02 -0.02 0.12 -0.04 2.09 2.17 2eprA4 GLU 358 HB3 0.01 0.08 -0.01 -0.04 1.99 2.03 2eprA4 GLU 358 HG2 0.03 0.00 -0.08 -0.04 2.34 2.25 2eprA4 GLU 358 HG3 0.02 0.02 0.01 -0.04 2.34 2.35 2eprA4 ILE 359 H 0.04 -0.03 -0.05 -0.55 8.25 7.66 2eprA4 ILE 359 HA -0.08 0.12 0.34 -0.75 4.18 3.80 2eprA4 ILE 359 HB -0.23 -0.12 0.06 -0.04 1.89 1.56 2eprA4 ILE 359 HG12 -0.12 0.08 0.03 -0.04 1.49 1.45 2eprA4 ILE 359 HG13 -0.02 -0.14 0.10 -0.04 1.21 1.11 2eprA4 ILE 359 HG23 -0.68 0.03 -0.10 -0.04 0.93 0.14 2eprA4 ILE 359 HD13 0.02 0.02 0.03 -0.04 0.88 0.91 2eprA4 CYS 360 H 0.14 -0.13 -0.25 -0.55 8.50 7.72 2eprA4 CYS 360 HA 0.08 0.26 0.83 -0.75 4.58 5.00 2eprA4 CYS 360 HB2 0.21 0.05 -0.04 -0.04 2.97 3.15 2eprA4 CYS 360 HB3 0.39 0.01 -0.05 -0.04 2.97 3.28 2eprA4 GLY 361 H 0.11 -0.08 -0.13 -0.55 8.43 7.79 2eprA4 GLY 361 HA2 0.03 0.08 0.38 -0.51 4.01 4.00 2eprA4 GLY 361 HA3 0.03 0.18 0.81 -0.51 4.01 4.53 2eprA4 LYS 362 H 0.02 0.37 0.31 -0.55 8.42 8.56 2eprA4 LYS 362 HA -0.13 0.22 0.72 -0.75 4.32 4.37 2eprA4 LYS 362 HB2 -0.21 -0.12 -0.06 -0.04 1.87 1.44 2eprA4 LYS 362 HB3 -0.57 0.00 0.01 -0.04 1.79 1.18 2eprA4 LYS 362 HG2 -0.11 0.09 -0.02 -0.04 1.46 1.39 2eprA4 LYS 362 HG3 -0.00 0.01 -0.71 -0.04 1.46 0.72 2eprA4 LYS 362 HD2 -0.05 -0.08 -0.12 -0.04 1.69 1.40 2eprA4 LYS 362 HD3 -0.14 0.00 -0.06 -0.04 1.68 1.44 2eprA4 LYS 362 HE2 0.13 -0.01 -0.16 -0.04 2.99 2.91 2eprA4 LYS 362 HE3 0.12 -0.01 -0.07 -0.04 2.99 2.98 2eprA4 ILE 363 H -0.32 0.24 0.14 -0.55 8.25 7.75 2eprA4 ILE 363 HA -0.09 0.21 1.15 -0.75 4.18 4.69 2eprA4 ILE 363 HB -0.11 -0.03 0.13 -0.04 1.89 1.85 2eprA4 ILE 363 HG12 -0.08 -0.09 -0.28 -0.04 1.49 1.00 2eprA4 ILE 363 HG13 -0.04 0.02 -0.06 -0.04 1.21 1.09 2eprA4 ILE 363 HG23 -0.02 0.05 -0.04 -0.04 0.93 0.88 2eprA4 ILE 363 HD13 -0.01 0.03 -0.07 -0.04 0.88 0.79 2eprA4 PHE 364 H 0.12 0.41 0.11 -0.55 8.34 8.42 2eprA4 PHE 364 HA 0.03 0.20 0.89 -0.75 4.62 4.99 2eprA4 PHE 364 HB2 0.02 -0.01 -0.09 -0.04 3.15 3.02 2eprA4 PHE 364 HB3 0.10 -0.09 0.07 -0.04 3.06 3.09 2eprA4 PHE 364 HD2 -0.01 -0.03 -0.14 -0.04 7.28 7.06 2eprA4 PHE 364 HE2 -0.23 0.00 -0.10 -0.04 7.38 7.01 2eprA4 PHE 364 HZ -0.99 0.05 -0.09 -0.04 7.32 6.25 2eprA4 ARG 365 H 0.28 0.09 0.17 -0.55 8.46 8.46 2eprA4 ARG 365 HA 0.06 0.18 0.64 -0.75 4.34 4.47 2eprA4 ARG 365 HB2 0.07 -0.11 0.21 -0.04 1.90 2.03 2eprA4 ARG 365 HB3 0.03 0.05 0.05 -0.04 1.80 1.89 2eprA4 ARG 365 HG2 0.06 0.06 -0.01 -0.04 1.67 1.74 2eprA4 ARG 365 HG3 0.13 -0.01 0.08 -0.04 1.67 1.84 2eprA4 ARG 365 HD2 0.08 -0.02 0.03 -0.04 3.22 3.27 2eprA4 ARG 365 HD3 0.05 0.03 0.01 -0.04 3.22 3.27 2eprA4 ASP 366 H -0.11 0.04 0.16 -0.55 8.40 7.94 2eprA4 ASP 366 HA -0.02 0.35 0.94 -0.75 4.63 5.15 2eprA4 ASP 366 HB2 -0.13 0.10 0.03 -0.04 2.71 2.67 2eprA4 ASP 366 HB3 -0.23 -0.13 0.06 -0.04 2.70 2.36 2eprA4 VAL 367 H -0.01 0.28 0.17 -0.55 8.24 8.13 2eprA4 VAL 367 HA -0.01 0.12 0.45 -0.75 4.13 3.93 2eprA4 VAL 367 HB 0.02 0.03 0.07 -0.04 2.12 2.20 2eprA4 VAL 367 HG13 0.01 0.01 0.02 -0.04 0.97 0.97 2eprA4 VAL 367 HG23 0.01 0.04 0.04 -0.04 0.95 1.00 2eprA4 TYR 368 H 0.06 0.10 -0.14 -0.55 8.29 7.75 2eprA4 TYR 368 HA -0.03 0.12 0.37 -0.75 4.56 4.27 2eprA4 TYR 368 HB2 -0.06 0.05 0.10 -0.04 3.06 3.11 2eprA4 TYR 368 HB3 -0.13 -0.03 0.02 -0.04 2.98 2.81 2eprA4 TYR 368 HD2 0.02 -0.02 0.02 -0.04 7.15 7.13 2eprA4 TYR 368 HE2 0.03 0.04 -0.01 -0.04 6.85 6.86 2eprA4 HIS 369 H -0.11 0.14 -0.43 -0.55 8.41 7.46 2eprA4 HIS 369 HA -0.31 0.13 0.45 -0.75 4.63 4.15 2eprA4 HIS 369 HB2 -0.11 0.09 0.08 -0.04 3.26 3.28 2eprA4 HIS 369 HB3 -0.18 0.05 0.05 -0.04 3.20 3.07 2eprA4 HIS 369 HD2 -0.13 0.02 -0.15 -0.04 6.97 6.67 2eprA4 HIS 369 HE1 0.07 0.06 0.05 -0.04 7.75 7.88 2eprA4 LEU 370 H -0.17 0.22 -0.36 -0.55 8.37 7.52 2eprA4 LEU 370 HA -0.48 0.09 0.56 -0.75 4.35 3.76 2eprA4 LEU 370 HB2 -0.22 -0.05 0.00 -0.04 1.64 1.32 2eprA4 LEU 370 HB3 -0.08 0.12 0.15 -0.04 1.64 1.79 2eprA4 LEU 370 HG -0.01 0.04 -0.24 -0.04 1.64 1.39 2eprA4 LEU 370 HD13 0.08 -0.02 -0.05 -0.04 0.93 0.90 2eprA4 LEU 370 HD23 0.04 -0.00 -0.06 -0.04 0.89 0.83 2eprA4 ASN 371 H -0.07 0.56 -0.02 -0.55 8.53 8.46 2eprA4 ASN 371 HA -0.01 0.05 0.36 -0.75 4.76 4.40 2eprA4 ASN 371 HB2 0.01 0.12 0.17 -0.04 2.88 3.13 2eprA4 ASN 371 HB3 0.03 0.03 -0.00 -0.04 2.79 2.80 2eprA4 ASN 371 HD21 0.09 0.03 -0.01 -0.04 7.03 7.10 2eprA4 ASN 371 HD22 0.06 -0.02 -0.04 -0.04 7.74 7.70 2eprA4 ARG 372 H -0.15 0.27 -0.29 -0.55 8.46 7.74 2eprA4 ARG 372 HA -0.07 0.13 0.56 -0.75 4.34 4.19 2eprA4 ARG 372 HB2 -0.20 0.03 0.08 -0.04 1.90 1.77 2eprA4 ARG 372 HB3 -0.16 0.05 0.03 -0.04 1.80 1.68 2eprA4 ARG 372 HG2 -0.07 0.00 0.06 -0.04 1.67 1.62 2eprA4 ARG 372 HG3 -0.10 0.00 -0.00 -0.04 1.67 1.53 2eprA4 ARG 372 HD2 -0.08 -0.02 -0.32 -0.04 3.22 2.75 2eprA4 ARG 372 HD3 -0.06 0.01 -0.06 -0.04 3.22 3.07 2eprA4 HIS 373 H -0.10 0.25 -0.21 -0.55 8.41 7.80 2eprA4 HIS 373 HA -0.16 0.03 0.37 -0.75 4.63 4.12 2eprA4 HIS 373 HB2 -0.32 0.08 0.17 -0.04 3.26 3.15 2eprA4 HIS 373 HB3 -0.37 -0.02 0.19 -0.04 3.20 2.97 2eprA4 HIS 373 HD2 0.05 -0.02 -0.16 -0.04 6.97 6.79 2eprA4 HIS 373 HE1 0.06 0.04 -0.05 -0.04 7.75 7.75 2eprA4 LYS 374 H -0.06 0.47 -0.52 -0.55 8.42 7.76 2eprA4 LYS 374 HA -0.01 -0.02 0.41 -0.75 4.32 3.94 2eprA4 LYS 374 HB2 -0.01 0.22 0.10 -0.04 1.87 2.13 2eprA4 LYS 374 HB3 0.02 0.00 -0.02 -0.04 1.79 1.75 2eprA4 LYS 374 HG2 0.07 -0.06 0.01 -0.04 1.46 1.45 2eprA4 LYS 374 HG3 0.06 -0.03 0.01 -0.04 1.46 1.46 2eprA4 LYS 374 HD2 0.03 -0.12 -0.12 -0.04 1.69 1.43 2eprA4 LYS 374 HD3 -0.00 0.03 -0.16 -0.04 1.68 1.51 2eprA4 LYS 374 HE2 0.03 -0.00 -0.01 -0.04 2.99 2.96 2eprA4 LYS 374 HE3 0.02 -0.06 -0.03 -0.04 2.99 2.88 2eprA4 LEU 375 H -0.08 0.29 -0.26 -0.55 8.37 7.77 2eprA4 LEU 375 HA -0.04 0.06 0.32 -0.75 4.35 3.93 2eprA4 LEU 375 HB2 -0.07 0.23 0.16 -0.04 1.64 1.92 2eprA4 LEU 375 HB3 -0.05 -0.04 -0.02 -0.04 1.64 1.50 2eprA4 LEU 375 HG -0.03 0.05 0.10 -0.04 1.64 1.72 2eprA4 LEU 375 HD13 -0.03 -0.02 0.04 -0.04 0.93 0.88 2eprA4 LEU 375 HD23 -0.02 -0.01 0.02 -0.04 0.89 0.85 2eprA4 SER 376 H -0.21 0.24 -0.47 -0.55 8.46 7.47 2eprA4 SER 376 HA -0.11 0.02 0.37 -0.75 4.49 4.01 2eprA4 SER 376 HB2 -0.55 0.21 0.09 -0.04 3.95 3.65 2eprA4 SER 376 HB3 -0.22 -0.07 0.07 -0.04 3.93 3.67 2eprA4 HIS 377 H -0.20 0.38 -0.50 -0.55 8.41 7.55 2eprA4 HIS 377 HA -0.06 -0.03 0.62 -0.75 4.63 4.41 2eprA4 HIS 377 HB2 -0.07 0.23 0.26 -0.04 3.26 3.63 2eprA4 HIS 377 HB3 -0.03 -0.06 0.09 -0.04 3.20 3.16 2eprA4 HIS 377 HD2 0.00 -0.05 -0.01 -0.04 6.97 6.87 2eprA4 HIS 377 HE1 0.06 0.03 -0.08 -0.04 7.75 7.72 2eprA4 SER 378 H 0.04 0.32 0.17 -0.55 8.46 8.44 2eprA4 SER 378 HA 0.02 0.15 0.51 -0.75 4.49 4.42 2eprA4 SER 378 HB2 0.01 -0.05 0.11 -0.04 3.95 3.99 2eprA4 SER 378 HB3 0.01 -0.02 -0.02 -0.04 3.93 3.86 2eprA4 GLY 379 H 0.04 -0.05 0.00 -0.55 8.43 7.88 2eprA4 GLY 379 HA2 0.00 0.04 0.18 -0.51 4.01 3.72 2eprA4 GLY 379 HA3 0.01 0.20 0.78 -0.51 4.01 4.48 2eprA4 GLU 380 H 0.03 0.11 0.15 -0.55 8.60 8.34 2eprA4 GLU 380 HA 0.02 0.20 0.94 -0.75 4.29 4.69 2eprA4 GLU 380 HB2 0.03 0.02 0.03 -0.04 2.09 2.13 2eprA4 GLU 380 HB3 0.02 0.03 -0.07 -0.04 1.99 1.94 2eprA4 GLU 380 HG2 0.07 -0.11 0.20 -0.04 2.34 2.46 2eprA4 GLU 380 HG3 0.06 0.03 -0.00 -0.04 2.34 2.38 2eprA4 LYS 381 H 0.02 0.18 -0.00 -0.55 8.42 8.06 2eprA4 LYS 381 HA 0.03 0.23 0.84 -0.75 4.32 4.65 2eprA4 LYS 381 HB2 -0.00 -0.01 0.09 -0.04 1.87 1.92 2eprA4 LYS 381 HB3 -0.00 0.01 0.05 -0.04 1.79 1.81 2eprA4 LYS 381 HG2 -0.02 -0.10 -0.58 -0.04 1.46 0.72 2eprA4 LYS 381 HG3 -0.02 -0.00 -0.10 -0.04 1.46 1.30 2eprA4 LYS 381 HD2 -0.02 0.06 0.04 -0.04 1.69 1.74 2eprA4 LYS 381 HD3 -0.06 -0.04 -0.06 -0.04 1.68 1.48 2eprA4 LYS 381 HE2 -0.03 -0.06 -0.01 -0.04 2.99 2.85 2eprA4 LYS 381 HE3 -0.03 -0.05 0.01 -0.04 2.99 2.87 2eprA4 PRO 382 HA 0.05 0.09 0.46 -0.51 4.44 4.52 2eprA4 PRO 382 HB2 0.07 0.06 -0.03 -0.04 2.28 2.33 2eprA4 PRO 382 HB3 0.04 0.01 0.07 -0.04 2.02 2.11 2eprA4 PRO 382 HG2 0.09 0.02 0.07 -0.04 2.03 2.17 2eprA4 PRO 382 HG3 0.05 0.05 0.01 -0.04 2.03 2.10 2eprA4 PRO 382 HD2 0.07 0.25 -0.04 -0.04 3.68 3.92 2eprA4 PRO 382 HD3 0.04 0.01 -0.28 -0.04 3.65 3.38 2eprA4 TYR 383 H 0.15 0.14 -0.13 -0.55 8.29 7.91 2eprA4 TYR 383 HA 0.01 0.18 0.86 -0.75 4.56 4.86 2eprA4 TYR 383 HB2 0.01 -0.05 0.02 -0.04 3.06 3.00 2eprA4 TYR 383 HB3 0.02 0.02 0.18 -0.04 2.98 3.16 2eprA4 TYR 383 HD2 0.01 0.02 0.04 -0.04 7.15 7.17 2eprA4 TYR 383 HE2 0.00 -0.02 -0.00 -0.04 6.85 6.79 2eprA4 SER 384 H -0.02 0.23 -0.09 -0.55 8.46 8.03 2eprA4 SER 384 HA -0.08 0.04 0.41 -0.75 4.49 4.11 2eprA4 SER 384 HB2 -0.07 0.05 0.01 -0.04 3.95 3.90 2eprA4 SER 384 HB3 -0.03 0.05 0.06 -0.04 3.93 3.96 2eprA4 SER 385 H -0.11 0.15 0.22 -0.55 8.46 8.17 2eprA4 SER 385 HA -0.23 0.18 0.90 -0.75 4.49 4.59 2eprA4 SER 385 HB2 -0.16 0.13 -0.03 -0.04 3.95 3.85 2eprA4 SER 385 HB3 -0.08 -0.00 -0.03 -0.04 3.93 3.78 2eprA4 GLY 386 H -0.08 0.14 0.04 -0.55 8.43 7.98 2eprA4 GLY 386 HA2 -0.04 0.25 0.88 -0.51 4.01 4.58 2eprA4 GLY 386 HA3 -0.04 -0.01 0.33 -0.51 4.01 3.78 2eprA4 PRO 387 HA -0.02 0.04 0.38 -0.51 4.44 4.33 2eprA4 PRO 387 HB2 -0.01 -0.01 0.03 -0.04 2.28 2.25 2eprA4 PRO 387 HB3 -0.02 0.04 0.02 -0.04 2.02 2.02 2eprA4 PRO 387 HG2 -0.02 -0.00 0.10 -0.04 2.03 2.07 2eprA4 PRO 387 HG3 -0.02 0.07 0.02 -0.04 2.03 2.05 2eprA4 PRO 387 HD2 -0.04 0.19 0.12 -0.04 3.68 3.92 2eprA4 PRO 387 HD3 -0.05 0.06 -0.46 -0.04 3.65 3.16 2eprA4 SER 388 H -0.01 0.24 0.24 -0.55 8.46 8.38 2eprA4 SER 388 HA -0.01 0.04 0.44 -0.75 4.49 4.21 2eprA4 SER 388 HB2 -0.01 0.04 -0.00 -0.04 3.95 3.93 2eprA4 SER 388 HB3 -0.01 0.04 0.10 -0.04 3.93 4.02 2eprA4 SER 389 H -0.01 0.20 0.23 -0.55 8.46 8.33 2eprA4 SER 389 HA -0.00 -0.06 0.35 -0.75 4.49 4.02 2eprA4 SER 389 HB2 -0.00 0.03 0.01 -0.04 3.95 3.95 2eprA4 SER 389 HB3 -0.01 0.02 0.13 -0.04 3.93 4.03 2eprA4 GLY 390 H -0.00 0.03 0.11 -0.55 8.43 8.03 2eprA4 GLY 390 HA2 -0.00 0.18 0.37 -0.51 4.01 4.04 2eprA4 GLY 390 HA3 -0.00 0.03 0.20 -0.51 4.01 3.73