============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 17 1.000 -13.970 -14.727 -19.825 -99.200 -91.000 TYR 21 0.840 -10.095 -17.680 -31.188 -99.200 -91.000 HIS 22 0.900 -16.868 -14.231 -26.271 -99.200 -91.000 HIS 26 0.900 -12.547 -10.135 -18.764 -99.200 -91.000 HIS 30 0.900 -9.248 -8.109 -15.755 -99.200 -91.000 TYR 36 0.840 1.367 9.925 -24.753 -99.200 -91.000 PHE 45 1.000 3.369 7.667 -16.181 -99.200 -91.000 TYR 53 0.840 11.111 15.807 -16.532 -99.200 -91.000 HIS 54 0.900 7.490 6.158 -14.404 -99.200 -91.000 HIS 58 0.900 11.657 4.196 -14.523 -99.200 -91.000 TYR 66 0.840 33.137 -5.552 -23.126 -99.200 -91.000 PHE 75 1.000 29.107 -13.105 -17.593 -99.200 -91.000 HIS 80 0.900 35.814 -13.061 -16.193 -99.200 -91.000 HIS 84 0.900 26.036 -16.618 -19.587 -99.200 -91.000 HIS 89 0.900 22.352 -17.898 -23.308 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yt9A4 GLY 355 HA2 0.00 -0.03 0.14 -0.51 4.01 3.61 2yt9A4 GLY 355 HA3 -0.00 -0.08 0.22 -0.51 4.01 3.64 2yt9A4 SER 356 H 0.00 0.17 0.13 -0.55 8.46 8.21 2yt9A4 SER 356 HA 0.00 0.18 0.85 -0.75 4.49 4.77 2yt9A4 SER 356 HB2 0.00 0.02 0.05 -0.04 3.95 3.99 2yt9A4 SER 356 HB3 0.00 0.02 -0.16 -0.04 3.93 3.75 2yt9A4 SER 357 H 0.00 0.28 0.19 -0.55 8.46 8.39 2yt9A4 SER 357 HA -0.00 0.12 0.70 -0.75 4.49 4.56 2yt9A4 SER 357 HB2 -0.00 0.01 -0.12 -0.04 3.95 3.80 2yt9A4 SER 357 HB3 -0.00 -0.02 -0.05 -0.04 3.93 3.82 2yt9A4 GLY 358 H -0.00 0.09 0.02 -0.55 8.43 8.00 2yt9A4 GLY 358 HA2 -0.00 -0.03 0.36 -0.51 4.01 3.83 2yt9A4 GLY 358 HA3 0.00 0.24 0.82 -0.51 4.01 4.56 2yt9A4 SER 359 H -0.00 0.11 0.13 -0.55 8.46 8.15 2yt9A4 SER 359 HA 0.00 0.02 0.56 -0.75 4.49 4.31 2yt9A4 SER 359 HB2 -0.01 -0.05 0.20 -0.04 3.95 4.05 2yt9A4 SER 359 HB3 -0.00 0.11 0.04 -0.04 3.93 4.04 2yt9A4 SER 360 H 0.01 0.07 0.26 -0.55 8.46 8.25 2yt9A4 SER 360 HA 0.01 0.11 0.47 -0.75 4.49 4.33 2yt9A4 SER 360 HB2 0.02 -0.03 0.13 -0.04 3.95 4.03 2yt9A4 SER 360 HB3 0.01 0.05 0.14 -0.04 3.93 4.08 2yt9A4 GLY 361 H 0.03 0.21 0.19 -0.55 8.43 8.31 2yt9A4 GLY 361 HA2 0.05 0.06 0.35 -0.51 4.01 3.96 2yt9A4 GLY 361 HA3 0.04 0.09 0.33 -0.51 4.01 3.97 2yt9A4 VAL 362 H 0.11 0.43 0.20 -0.55 8.24 8.42 2yt9A4 VAL 362 HA 0.06 0.22 0.85 -0.75 4.13 4.51 2yt9A4 VAL 362 HB 0.06 -0.01 0.07 -0.04 2.12 2.20 2yt9A4 VAL 362 HG13 0.05 0.02 -0.11 -0.04 0.97 0.88 2yt9A4 VAL 362 HG23 0.10 -0.02 -0.03 -0.04 0.95 0.95 2yt9A4 ALA 363 H 0.07 0.21 0.11 -0.55 8.40 8.24 2yt9A4 ALA 363 HA 0.13 0.21 0.86 -0.75 4.34 4.79 2yt9A4 ALA 363 HB3 0.05 0.03 -0.10 -0.04 1.41 1.34 2yt9A4 CYS 364 H 0.23 0.68 0.19 -0.55 8.50 9.05 2yt9A4 CYS 364 HA 0.10 0.06 0.45 -0.75 4.58 4.44 2yt9A4 CYS 364 HB2 0.39 0.25 0.26 -0.04 2.97 3.82 2yt9A4 CYS 364 HB3 0.22 -0.52 0.28 -0.04 2.97 2.91 2yt9A4 GLU 365 H 0.04 0.17 0.19 -0.55 8.60 8.46 2yt9A4 GLU 365 HA 0.02 0.22 0.68 -0.75 4.29 4.47 2yt9A4 GLU 365 HB2 -0.00 0.05 0.20 -0.04 2.09 2.30 2yt9A4 GLU 365 HB3 0.01 0.05 0.11 -0.04 1.99 2.13 2yt9A4 GLU 365 HG2 -0.01 -0.09 0.01 -0.04 2.34 2.21 2yt9A4 GLU 365 HG3 -0.02 0.05 0.05 -0.04 2.34 2.38 2yt9A4 ILE 366 H 0.04 -0.22 -0.55 -0.55 8.25 6.97 2yt9A4 ILE 366 HA -0.07 0.29 0.87 -0.75 4.18 4.51 2yt9A4 ILE 366 HB -0.47 -0.11 0.02 -0.04 1.89 1.28 2yt9A4 ILE 366 HG12 -0.28 0.09 -0.06 -0.04 1.49 1.20 2yt9A4 ILE 366 HG13 -0.12 0.11 -0.65 -0.04 1.21 0.50 2yt9A4 ILE 366 HG23 -0.46 0.03 -0.05 -0.04 0.93 0.41 2yt9A4 ILE 366 HD13 -0.13 -0.03 -0.04 -0.04 0.88 0.63 2yt9A4 CYS 367 H 0.15 -0.26 0.07 -0.55 8.50 7.91 2yt9A4 CYS 367 HA 0.11 0.31 0.93 -0.75 4.58 5.18 2yt9A4 CYS 367 HB2 0.16 0.06 -0.02 -0.04 2.97 3.13 2yt9A4 CYS 367 HB3 0.33 0.09 -0.04 -0.04 2.97 3.31 2yt9A4 GLY 368 H 0.13 -0.22 0.16 -0.55 8.43 7.96 2yt9A4 GLY 368 HA2 0.06 0.20 0.29 -0.51 4.01 4.05 2yt9A4 GLY 368 HA3 0.04 0.25 0.86 -0.51 4.01 4.66 2yt9A4 LYS 369 H 0.12 -0.14 0.17 -0.55 8.42 8.01 2yt9A4 LYS 369 HA -0.08 0.20 0.76 -0.75 4.32 4.45 2yt9A4 LYS 369 HB2 -0.00 -0.12 0.12 -0.04 1.87 1.84 2yt9A4 LYS 369 HB3 -0.50 0.08 -0.07 -0.04 1.79 1.26 2yt9A4 LYS 369 HG2 -0.14 0.02 -0.02 -0.04 1.46 1.28 2yt9A4 LYS 369 HG3 -0.16 0.06 0.02 -0.04 1.46 1.33 2yt9A4 LYS 369 HD2 0.04 -0.21 -0.30 -0.04 1.69 1.18 2yt9A4 LYS 369 HD3 0.02 0.04 -0.11 -0.04 1.68 1.60 2yt9A4 LYS 369 HE2 -0.05 -0.00 -0.07 -0.04 2.99 2.82 2yt9A4 LYS 369 HE3 -0.01 0.14 -0.46 -0.04 2.99 2.62 2yt9A4 ILE 370 H -0.16 0.17 0.20 -0.55 8.25 7.91 2yt9A4 ILE 370 HA 0.06 0.27 0.87 -0.75 4.18 4.62 2yt9A4 ILE 370 HB -0.09 -0.05 0.09 -0.04 1.89 1.80 2yt9A4 ILE 370 HG12 -0.03 0.00 0.02 -0.04 1.49 1.44 2yt9A4 ILE 370 HG13 -0.02 0.02 -0.03 -0.04 1.21 1.14 2yt9A4 ILE 370 HG23 -0.00 0.05 -0.18 -0.04 0.93 0.76 2yt9A4 ILE 370 HD13 0.03 0.01 -0.18 -0.04 0.88 0.69 2yt9A4 PHE 371 H 0.22 0.60 0.25 -0.55 8.34 8.86 2yt9A4 PHE 371 HA -0.05 0.16 0.98 -0.75 4.62 4.96 2yt9A4 PHE 371 HB2 0.02 -0.02 0.12 -0.04 3.15 3.22 2yt9A4 PHE 371 HB3 0.03 -0.04 0.07 -0.04 3.06 3.08 2yt9A4 PHE 371 HD2 -0.00 -0.02 -0.18 -0.04 7.28 7.04 2yt9A4 PHE 371 HE2 -0.13 0.00 -0.06 -0.04 7.38 7.16 2yt9A4 PHE 371 HZ -1.21 0.00 -0.05 -0.04 7.32 6.02 2yt9A4 ARG 372 H 0.01 0.18 0.15 -0.55 8.46 8.25 2yt9A4 ARG 372 HA 0.03 0.22 0.46 -0.75 4.34 4.30 2yt9A4 ARG 372 HB2 0.01 0.04 0.09 -0.04 1.90 2.00 2yt9A4 ARG 372 HB3 -0.02 0.04 0.13 -0.04 1.80 1.91 2yt9A4 ARG 372 HG2 0.04 -0.18 0.06 -0.04 1.67 1.54 2yt9A4 ARG 372 HG3 -0.00 0.03 -0.02 -0.04 1.67 1.64 2yt9A4 ARG 372 HD2 -0.15 0.03 0.04 -0.04 3.22 3.09 2yt9A4 ARG 372 HD3 -0.09 0.06 0.07 -0.04 3.22 3.23 2yt9A4 ASP 373 H 0.17 0.03 -0.28 -0.55 8.40 7.76 2yt9A4 ASP 373 HA 0.09 0.29 0.77 -0.75 4.63 5.03 2yt9A4 ASP 373 HB2 0.14 0.04 -0.10 -0.04 2.71 2.74 2yt9A4 ASP 373 HB3 0.17 -0.24 0.01 -0.04 2.70 2.60 2yt9A4 VAL 374 H 0.13 0.22 0.17 -0.55 8.24 8.21 2yt9A4 VAL 374 HA 0.04 0.19 0.69 -0.75 4.13 4.30 2yt9A4 VAL 374 HB 0.17 0.02 0.10 -0.04 2.12 2.37 2yt9A4 VAL 374 HG13 0.01 0.02 -0.04 -0.04 0.97 0.93 2yt9A4 VAL 374 HG23 0.06 0.04 -0.02 -0.04 0.95 1.00 2yt9A4 TYR 375 H 0.35 0.11 0.07 -0.55 8.29 8.27 2yt9A4 TYR 375 HA -0.02 0.14 0.39 -0.75 4.56 4.31 2yt9A4 TYR 375 HB2 0.02 -0.04 0.10 -0.04 3.06 3.09 2yt9A4 TYR 375 HB3 -0.06 0.09 -0.02 -0.04 2.98 2.95 2yt9A4 TYR 375 HD2 -0.01 -0.07 0.04 -0.04 7.15 7.06 2yt9A4 TYR 375 HE2 -0.01 0.04 0.01 -0.04 6.85 6.85 2yt9A4 HIS 376 H 0.25 0.02 -0.59 -0.55 8.41 7.55 2yt9A4 HIS 376 HA 0.10 0.17 0.53 -0.75 4.63 4.67 2yt9A4 HIS 376 HB2 0.18 -0.08 -0.02 -0.04 3.26 3.30 2yt9A4 HIS 376 HB3 0.37 0.07 -0.08 -0.04 3.20 3.51 2yt9A4 HIS 376 HD2 0.09 -0.04 -0.05 -0.04 6.97 6.92 2yt9A4 HIS 376 HE1 0.06 0.04 -0.01 -0.04 7.75 7.81 2yt9A4 LEU 377 H -0.03 0.16 -0.35 -0.55 8.37 7.61 2yt9A4 LEU 377 HA -1.08 0.08 0.51 -0.75 4.35 3.10 2yt9A4 LEU 377 HB2 -0.59 0.03 0.12 -0.04 1.64 1.15 2yt9A4 LEU 377 HB3 -0.19 0.13 0.18 -0.04 1.64 1.72 2yt9A4 LEU 377 HG -0.20 0.01 -0.08 -0.04 1.64 1.32 2yt9A4 LEU 377 HD13 -0.57 -0.02 0.03 -0.04 0.93 0.34 2yt9A4 LEU 377 HD23 -0.08 0.00 -0.05 -0.04 0.89 0.72 2yt9A4 ASN 378 H -0.09 0.32 -0.28 -0.55 8.53 7.95 2yt9A4 ASN 378 HA -0.07 0.09 0.44 -0.75 4.76 4.46 2yt9A4 ASN 378 HB2 -0.13 0.02 0.09 -0.04 2.88 2.82 2yt9A4 ASN 378 HB3 -0.12 0.07 0.12 -0.04 2.79 2.81 2yt9A4 ASN 378 HD21 -0.09 0.01 -0.21 -0.04 7.03 6.69 2yt9A4 ASN 378 HD22 -0.08 0.03 -0.08 -0.04 7.74 7.56 2yt9A4 ARG 379 H -0.04 0.28 -0.11 -0.55 8.46 8.03 2yt9A4 ARG 379 HA -0.03 0.08 0.35 -0.75 4.34 3.99 2yt9A4 ARG 379 HB2 0.00 0.02 0.07 -0.04 1.90 1.94 2yt9A4 ARG 379 HB3 -0.04 0.02 0.12 -0.04 1.80 1.86 2yt9A4 ARG 379 HG2 -0.02 -0.04 0.06 -0.04 1.67 1.64 2yt9A4 ARG 379 HG3 0.09 0.10 -0.01 -0.04 1.67 1.80 2yt9A4 ARG 379 HD2 0.19 -0.01 -0.07 -0.04 3.22 3.29 2yt9A4 ARG 379 HD3 0.10 0.01 -0.38 -0.04 3.22 2.90 2yt9A4 HIS 380 H 0.06 0.12 -0.75 -0.55 8.41 7.29 2yt9A4 HIS 380 HA 0.02 0.09 0.49 -0.75 4.63 4.48 2yt9A4 HIS 380 HB2 0.16 0.06 0.08 -0.04 3.26 3.52 2yt9A4 HIS 380 HB3 -0.22 0.08 0.17 -0.04 3.20 3.19 2yt9A4 HIS 380 HD2 0.13 -0.01 -0.06 -0.04 6.97 6.98 2yt9A4 HIS 380 HE1 -0.03 0.03 -0.04 -0.04 7.75 7.67 2yt9A4 LYS 381 H 0.02 0.57 0.03 -0.55 8.42 8.48 2yt9A4 LYS 381 HA 0.09 -0.04 0.40 -0.75 4.32 4.01 2yt9A4 LYS 381 HB2 -0.02 0.12 0.16 -0.04 1.87 2.09 2yt9A4 LYS 381 HB3 0.01 0.00 0.08 -0.04 1.79 1.83 2yt9A4 LYS 381 HG2 0.05 -0.09 0.08 -0.04 1.46 1.46 2yt9A4 LYS 381 HG3 0.05 0.09 0.18 -0.04 1.46 1.74 2yt9A4 LYS 381 HD2 -0.06 0.02 -0.14 -0.04 1.69 1.47 2yt9A4 LYS 381 HD3 -0.03 0.02 0.01 -0.04 1.68 1.64 2yt9A4 LYS 381 HE2 -0.03 -0.09 -0.00 -0.04 2.99 2.83 2yt9A4 LYS 381 HE3 -0.04 -0.01 -0.03 -0.04 2.99 2.87 2yt9A4 LEU 382 H -0.04 0.26 -0.62 -0.55 8.37 7.42 2yt9A4 LEU 382 HA -0.03 0.09 0.38 -0.75 4.35 4.04 2yt9A4 LEU 382 HB2 -0.03 0.14 0.05 -0.04 1.64 1.76 2yt9A4 LEU 382 HB3 -0.03 -0.02 -0.07 -0.04 1.64 1.47 2yt9A4 LEU 382 HG -0.03 -0.01 -0.01 -0.04 1.64 1.55 2yt9A4 LEU 382 HD13 -0.04 -0.01 -0.10 -0.04 0.93 0.74 2yt9A4 LEU 382 HD23 -0.03 -0.01 -0.00 -0.04 0.89 0.81 2yt9A4 SER 383 H -0.11 0.34 -0.27 -0.55 8.46 7.88 2yt9A4 SER 383 HA -0.06 0.04 0.40 -0.75 4.49 4.11 2yt9A4 SER 383 HB2 -0.24 0.07 0.10 -0.04 3.95 3.83 2yt9A4 SER 383 HB3 -0.10 -0.06 0.03 -0.04 3.93 3.76 2yt9A4 HIS 384 H -0.15 0.24 -0.27 -0.55 8.41 7.68 2yt9A4 HIS 384 HA -0.10 -0.04 0.34 -0.75 4.63 4.07 2yt9A4 HIS 384 HB2 -0.13 0.16 0.22 -0.04 3.26 3.47 2yt9A4 HIS 384 HB3 -0.06 0.01 0.01 -0.04 3.20 3.11 2yt9A4 HIS 384 HD2 -0.12 -0.05 -0.07 -0.04 6.97 6.69 2yt9A4 HIS 384 HE1 0.07 0.03 -0.13 -0.04 7.75 7.67 2yt9A4 SER 385 H 0.05 0.38 -0.04 -0.55 8.46 8.31 2yt9A4 SER 385 HA 0.01 0.13 0.87 -0.75 4.49 4.75 2yt9A4 SER 385 HB2 -0.01 0.05 0.03 -0.04 3.95 3.98 2yt9A4 SER 385 HB3 0.00 -0.04 -0.12 -0.04 3.93 3.73 2yt9A4 GLY 386 H -0.01 0.15 0.14 -0.55 8.43 8.16 2yt9A4 GLY 386 HA2 -0.01 0.21 0.85 -0.51 4.01 4.55 2yt9A4 GLY 386 HA3 -0.02 0.01 0.26 -0.51 4.01 3.75 2yt9A4 GLU 387 H -0.02 0.16 0.00 -0.55 8.60 8.20 2yt9A4 GLU 387 HA 0.00 0.22 0.83 -0.75 4.29 4.59 2yt9A4 GLU 387 HB2 -0.00 -0.03 0.07 -0.04 2.09 2.09 2yt9A4 GLU 387 HB3 0.01 -0.03 0.09 -0.04 1.99 2.03 2yt9A4 GLU 387 HG2 0.02 0.14 -0.03 -0.04 2.34 2.43 2yt9A4 GLU 387 HG3 0.00 -0.00 -0.26 -0.04 2.34 2.04 2yt9A4 LYS 388 H -0.02 0.33 -0.08 -0.55 8.42 8.10 2yt9A4 LYS 388 HA -0.07 0.14 0.08 -0.75 4.32 3.71 2yt9A4 LYS 388 HB2 -0.09 -0.02 0.01 -0.04 1.87 1.74 2yt9A4 LYS 388 HB3 -0.07 0.19 0.16 -0.04 1.79 2.03 2yt9A4 LYS 388 HG2 -0.03 -0.11 -0.58 -0.04 1.46 0.70 2yt9A4 LYS 388 HG3 -0.04 0.01 -0.19 -0.04 1.46 1.20 2yt9A4 LYS 388 HD2 -0.03 0.01 -0.10 -0.04 1.69 1.53 2yt9A4 LYS 388 HD3 -0.04 -0.01 -0.10 -0.04 1.68 1.49 2yt9A4 LYS 388 HE2 -0.05 0.04 -0.01 -0.04 2.99 2.92 2yt9A4 LYS 388 HE3 -0.03 0.00 -0.06 -0.04 2.99 2.86 2yt9A4 PRO 389 HA -0.22 0.11 0.38 -0.51 4.44 4.19 2yt9A4 PRO 389 HB2 -0.93 0.02 -0.05 -0.04 2.28 1.28 2yt9A4 PRO 389 HB3 -0.22 0.03 0.09 -0.04 2.02 1.89 2yt9A4 PRO 389 HG2 0.15 0.11 0.27 -0.04 2.03 2.52 2yt9A4 PRO 389 HG3 0.04 0.02 0.12 -0.04 2.03 2.17 2yt9A4 PRO 389 HD2 0.04 0.17 0.19 -0.04 3.68 4.03 2yt9A4 PRO 389 HD3 -0.02 0.08 0.18 -0.04 3.65 3.85 2yt9A4 TYR 390 H 0.09 0.53 0.07 -0.55 8.29 8.43 2yt9A4 TYR 390 HA 0.07 0.23 0.95 -0.75 4.56 5.06 2yt9A4 TYR 390 HB2 0.12 -0.02 0.17 -0.04 3.06 3.29 2yt9A4 TYR 390 HB3 0.06 0.00 0.02 -0.04 2.98 3.02 2yt9A4 TYR 390 HD2 0.04 0.05 -0.13 -0.04 7.15 7.07 2yt9A4 TYR 390 HE2 0.02 0.03 -0.14 -0.04 6.85 6.72 2yt9A4 SER 391 H 0.13 0.28 -0.04 -0.55 8.46 8.28 2yt9A4 SER 391 HA 0.27 0.07 0.94 -0.75 4.49 5.03 2yt9A4 SER 391 HB2 0.07 0.32 0.01 -0.04 3.95 4.30 2yt9A4 SER 391 HB3 0.05 -0.13 -0.01 -0.04 3.93 3.80 2yt9A4 CYS 392 H 0.25 0.37 0.02 -0.55 8.50 8.59 2yt9A4 CYS 392 HA 0.22 0.17 0.60 -0.75 4.58 4.82 2yt9A4 CYS 392 HB2 0.58 0.04 0.03 -0.04 2.97 3.57 2yt9A4 CYS 392 HB3 0.31 -0.33 0.14 -0.04 2.97 3.05 2yt9A4 PRO 393 HA 0.05 0.15 0.34 -0.51 4.44 4.47 2yt9A4 PRO 393 HB2 0.04 0.06 -0.04 -0.04 2.28 2.30 2yt9A4 PRO 393 HB3 0.05 0.05 0.08 -0.04 2.02 2.16 2yt9A4 PRO 393 HG2 0.07 -0.01 0.09 -0.04 2.03 2.14 2yt9A4 PRO 393 HG3 0.06 0.06 0.08 -0.04 2.03 2.19 2yt9A4 PRO 393 HD2 0.15 -0.00 0.25 -0.04 3.68 4.03 2yt9A4 PRO 393 HD3 0.11 0.29 0.26 -0.04 3.65 4.27 2yt9A4 VAL 394 H 0.07 -0.00 -0.16 -0.55 8.24 7.60 2yt9A4 VAL 394 HA -0.00 0.17 0.51 -0.75 4.13 4.06 2yt9A4 VAL 394 HB -0.13 -0.16 0.12 -0.04 2.12 1.91 2yt9A4 VAL 394 HG13 -0.12 0.02 -0.07 -0.04 0.97 0.76 2yt9A4 VAL 394 HG23 0.01 0.02 0.00 -0.04 0.95 0.94 2yt9A4 CYS 395 H 0.02 -0.04 -0.05 -0.55 8.50 7.89 2yt9A4 CYS 395 HA -0.00 0.14 0.44 -0.75 4.58 4.41 2yt9A4 CYS 395 HB2 0.25 -0.24 0.18 -0.04 2.97 3.11 2yt9A4 CYS 395 HB3 0.11 0.05 0.05 -0.04 2.97 3.14 2yt9A4 GLY 396 H 0.13 -0.10 0.03 -0.55 8.43 7.94 2yt9A4 GLY 396 HA2 0.04 0.22 0.27 -0.51 4.01 4.04 2yt9A4 GLY 396 HA3 0.02 0.21 0.83 -0.51 4.01 4.56 2yt9A4 LEU 397 H 0.05 -0.08 0.04 -0.55 8.37 7.83 2yt9A4 LEU 397 HA -0.13 0.12 0.35 -0.75 4.35 3.94 2yt9A4 LEU 397 HB2 -0.11 -0.11 0.09 -0.04 1.64 1.47 2yt9A4 LEU 397 HB3 -0.66 0.04 0.03 -0.04 1.64 1.01 2yt9A4 LEU 397 HG -0.11 0.07 0.05 -0.04 1.64 1.60 2yt9A4 LEU 397 HD13 0.06 0.00 -0.00 -0.04 0.93 0.95 2yt9A4 LEU 397 HD23 -0.20 0.01 0.02 -0.04 0.89 0.67 2yt9A4 ARG 398 H -0.37 0.17 0.19 -0.55 8.46 7.89 2yt9A4 ARG 398 HA -0.06 0.12 0.91 -0.75 4.34 4.56 2yt9A4 ARG 398 HB2 -0.13 -0.04 0.10 -0.04 1.90 1.79 2yt9A4 ARG 398 HB3 -0.06 0.10 -0.07 -0.04 1.80 1.72 2yt9A4 ARG 398 HG2 -0.03 -0.05 -0.05 -0.04 1.67 1.49 2yt9A4 ARG 398 HG3 -0.05 0.20 -0.28 -0.04 1.67 1.50 2yt9A4 ARG 398 HD2 -0.09 -0.15 0.02 -0.04 3.22 2.96 2yt9A4 ARG 398 HD3 -0.05 -0.03 0.02 -0.04 3.22 3.12 2yt9A4 PHE 399 H 0.19 0.57 0.12 -0.55 8.34 8.67 2yt9A4 PHE 399 HA 0.02 0.16 1.01 -0.75 4.62 5.06 2yt9A4 PHE 399 HB2 0.09 0.22 0.21 -0.04 3.15 3.63 2yt9A4 PHE 399 HB3 0.04 -0.18 0.13 -0.04 3.06 3.00 2yt9A4 PHE 399 HD2 -0.00 0.13 -0.03 -0.04 7.28 7.33 2yt9A4 PHE 399 HE2 -0.17 -0.01 -0.13 -0.04 7.38 7.03 2yt9A4 PHE 399 HZ -1.14 0.03 -0.09 -0.04 7.32 6.08 2yt9A4 LYS 400 H 0.16 0.18 0.15 -0.55 8.42 8.36 2yt9A4 LYS 400 HA 0.17 0.19 0.80 -0.75 4.32 4.73 2yt9A4 LYS 400 HB2 0.06 0.03 0.12 -0.04 1.87 2.04 2yt9A4 LYS 400 HB3 0.08 -0.01 0.17 -0.04 1.79 1.99 2yt9A4 LYS 400 HG2 0.06 0.04 0.12 -0.04 1.46 1.65 2yt9A4 LYS 400 HG3 0.04 0.04 0.06 -0.04 1.46 1.56 2yt9A4 LYS 400 HD2 0.07 -0.04 0.18 -0.04 1.69 1.86 2yt9A4 LYS 400 HD3 0.06 0.01 0.09 -0.04 1.68 1.80 2yt9A4 LYS 400 HE2 0.03 0.00 0.05 -0.04 2.99 3.04 2yt9A4 LYS 400 HE3 0.03 -0.01 0.05 -0.04 2.99 3.02 2yt9A4 ARG 401 H 0.26 0.18 -0.43 -0.55 8.46 7.92 2yt9A4 ARG 401 HA 0.04 0.22 0.66 -0.75 4.34 4.50 2yt9A4 ARG 401 HB2 -0.03 -0.19 0.12 -0.04 1.90 1.76 2yt9A4 ARG 401 HB3 0.04 0.24 -0.01 -0.04 1.80 2.02 2yt9A4 ARG 401 HG2 0.10 -0.06 0.02 -0.04 1.67 1.69 2yt9A4 ARG 401 HG3 0.04 -0.07 0.00 -0.04 1.67 1.60 2yt9A4 ARG 401 HD2 0.11 -0.04 -0.33 -0.04 3.22 2.91 2yt9A4 ARG 401 HD3 0.15 0.04 -0.00 -0.04 3.22 3.36 2yt9A4 LYS 402 H -0.25 0.22 0.16 -0.55 8.42 7.99 2yt9A4 LYS 402 HA -0.70 0.20 0.65 -0.75 4.32 3.71 2yt9A4 LYS 402 HB2 -0.58 0.04 0.07 -0.04 1.87 1.36 2yt9A4 LYS 402 HB3 -0.24 0.03 0.02 -0.04 1.79 1.55 2yt9A4 LYS 402 HG2 -0.20 0.02 -0.01 -0.04 1.46 1.24 2yt9A4 LYS 402 HG3 -0.39 0.01 0.08 -0.04 1.46 1.11 2yt9A4 LYS 402 HD2 -0.19 -0.01 -0.01 -0.04 1.69 1.44 2yt9A4 LYS 402 HD3 -0.08 0.02 -0.01 -0.04 1.68 1.57 2yt9A4 LYS 402 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.95 2yt9A4 LYS 402 HE3 0.19 0.03 -0.02 -0.04 2.99 3.15 2yt9A4 ASP 403 H -0.12 0.02 -0.01 -0.55 8.40 7.74 2yt9A4 ASP 403 HA -0.08 0.19 0.46 -0.75 4.63 4.45 2yt9A4 ASP 403 HB2 -0.03 -0.06 0.14 -0.04 2.71 2.73 2yt9A4 ASP 403 HB3 0.03 0.08 -0.05 -0.04 2.70 2.72 2yt9A4 ARG 404 H -0.04 0.05 -0.13 -0.55 8.46 7.78 2yt9A4 ARG 404 HA -0.01 0.15 0.34 -0.75 4.34 4.07 2yt9A4 ARG 404 HB2 -0.01 -0.07 0.07 -0.04 1.90 1.85 2yt9A4 ARG 404 HB3 -0.10 0.09 -0.05 -0.04 1.80 1.71 2yt9A4 ARG 404 HG2 0.03 -0.06 0.03 -0.04 1.67 1.63 2yt9A4 ARG 404 HG3 0.12 0.04 0.02 -0.04 1.67 1.81 2yt9A4 ARG 404 HD2 0.06 0.03 -0.01 -0.04 3.22 3.26 2yt9A4 ARG 404 HD3 0.02 0.00 -0.02 -0.04 3.22 3.18 2yt9A4 MET 405 H -0.28 0.22 -0.23 -0.55 8.47 7.63 2yt9A4 MET 405 HA -0.77 0.02 0.31 -0.75 4.52 3.33 2yt9A4 MET 405 HB2 -0.06 0.02 -0.09 -0.04 2.15 1.98 2yt9A4 MET 405 HB3 -0.12 0.10 0.06 -0.04 2.03 2.03 2yt9A4 MET 405 HG2 -0.18 0.08 0.10 -0.04 2.63 2.59 2yt9A4 MET 405 HG3 -0.23 -0.16 -0.07 -0.04 2.56 2.06 2yt9A4 MET 405 HE3 0.15 0.00 -0.08 -0.04 2.10 2.13 2yt9A4 SER 406 H -0.17 0.20 -0.74 -0.55 8.46 7.20 2yt9A4 SER 406 HA -0.14 0.01 0.43 -0.75 4.49 4.04 2yt9A4 SER 406 HB2 -0.16 -0.02 0.14 -0.04 3.95 3.87 2yt9A4 SER 406 HB3 -0.16 0.13 0.28 -0.04 3.93 4.13 2yt9A4 TYR 407 H -0.04 0.43 -0.25 -0.55 8.29 7.88 2yt9A4 TYR 407 HA -0.10 0.13 0.70 -0.75 4.56 4.54 2yt9A4 TYR 407 HB2 -0.09 0.06 0.15 -0.04 3.06 3.14 2yt9A4 TYR 407 HB3 -0.07 -0.02 -0.00 -0.04 2.98 2.85 2yt9A4 TYR 407 HD2 -0.06 0.02 -0.00 -0.04 7.15 7.06 2yt9A4 TYR 407 HE2 -0.04 -0.01 -0.02 -0.04 6.85 6.73 2yt9A4 HIS 408 H -0.08 0.33 -0.11 -0.55 8.41 8.01 2yt9A4 HIS 408 HA -0.17 0.15 0.61 -0.75 4.63 4.47 2yt9A4 HIS 408 HB2 -0.29 0.00 -0.03 -0.04 3.26 2.90 2yt9A4 HIS 408 HB3 -0.47 -0.04 0.08 -0.04 3.20 2.72 2yt9A4 HIS 408 HD2 0.26 -0.03 -0.17 -0.04 6.97 6.98 2yt9A4 HIS 408 HE1 0.29 0.03 -0.02 -0.04 7.75 8.01 2yt9A4 VAL 409 H -0.07 0.70 0.09 -0.55 8.24 8.41 2yt9A4 VAL 409 HA 0.08 -0.00 0.45 -0.75 4.13 3.89 2yt9A4 VAL 409 HB -0.04 0.04 0.15 -0.04 2.12 2.23 2yt9A4 VAL 409 HG13 0.04 -0.01 -0.06 -0.04 0.97 0.90 2yt9A4 VAL 409 HG23 0.08 -0.03 0.05 -0.04 0.95 1.00 2yt9A4 ARG 410 H -0.12 0.27 -0.19 -0.55 8.46 7.87 2yt9A4 ARG 410 HA -0.07 -0.01 0.37 -0.75 4.34 3.88 2yt9A4 ARG 410 HB2 -0.13 0.09 0.03 -0.04 1.90 1.84 2yt9A4 ARG 410 HB3 -0.09 -0.01 0.02 -0.04 1.80 1.68 2yt9A4 ARG 410 HG2 -0.12 0.02 0.16 -0.04 1.67 1.69 2yt9A4 ARG 410 HG3 -0.15 0.00 0.10 -0.04 1.67 1.57 2yt9A4 ARG 410 HD2 -0.08 -0.01 0.02 -0.04 3.22 3.11 2yt9A4 ARG 410 HD3 -0.06 -0.02 0.01 -0.04 3.22 3.10 2yt9A4 SER 411 H -0.23 0.05 -0.81 -0.55 8.46 6.92 2yt9A4 SER 411 HA -0.10 0.01 0.30 -0.75 4.49 3.94 2yt9A4 SER 411 HB2 -0.12 -0.02 0.17 -0.04 3.95 3.93 2yt9A4 SER 411 HB3 -0.42 0.06 0.19 -0.04 3.93 3.72 2yt9A4 HIS 412 H -0.39 0.22 -0.63 -0.55 8.41 7.07 2yt9A4 HIS 412 HA -0.05 0.07 0.67 -0.75 4.63 4.56 2yt9A4 HIS 412 HB2 -0.06 0.01 0.14 -0.04 3.26 3.32 2yt9A4 HIS 412 HB3 -0.05 -0.07 0.04 -0.04 3.20 3.08 2yt9A4 HIS 412 HD2 -0.10 -0.13 0.11 -0.04 6.97 6.81 2yt9A4 HIS 412 HE1 -0.30 -0.06 -0.02 -0.04 7.75 7.32 2yt9A4 ASP 413 H 0.02 0.16 0.06 -0.55 8.40 8.09 2yt9A4 ASP 413 HA 0.02 0.03 0.42 -0.75 4.63 4.34 2yt9A4 ASP 413 HB2 0.01 0.02 0.14 -0.04 2.71 2.83 2yt9A4 ASP 413 HB3 -0.01 0.02 0.04 -0.04 2.70 2.71 2yt9A4 GLY 414 H -0.01 0.03 0.18 -0.55 8.43 8.08 2yt9A4 GLY 414 HA2 -0.01 -0.06 0.32 -0.51 4.01 3.75 2yt9A4 GLY 414 HA3 -0.02 0.19 0.65 -0.51 4.01 4.33 2yt9A4 SER 415 H -0.01 0.09 0.13 -0.55 8.46 8.13 2yt9A4 SER 415 HA -0.01 0.06 0.50 -0.75 4.49 4.29 2yt9A4 SER 415 HB2 -0.01 0.18 -0.05 -0.04 3.95 4.03 2yt9A4 SER 415 HB3 -0.00 0.06 -0.19 -0.04 3.93 3.76 2yt9A4 VAL 416 H -0.02 0.27 0.16 -0.55 8.24 8.10 2yt9A4 VAL 416 HA -0.02 0.09 0.67 -0.75 4.13 4.12 2yt9A4 VAL 416 HB -0.02 0.01 -0.18 -0.04 2.12 1.89 2yt9A4 VAL 416 HG13 -0.03 0.00 -0.05 -0.04 0.97 0.85 2yt9A4 VAL 416 HG23 -0.03 0.04 -0.11 -0.04 0.95 0.80 2yt9A4 GLY 417 H -0.03 0.12 0.04 -0.55 8.43 8.02 2yt9A4 GLY 417 HA2 -0.03 0.16 0.72 -0.51 4.01 4.35 2yt9A4 GLY 417 HA3 -0.03 -0.06 0.38 -0.51 4.01 3.79 2yt9A4 LYS 418 H -0.04 0.07 0.07 -0.55 8.42 7.97 2yt9A4 LYS 418 HA -0.04 0.07 0.28 -0.75 4.32 3.88 2yt9A4 LYS 418 HB2 -0.03 0.01 -0.01 -0.04 1.87 1.80 2yt9A4 LYS 418 HB3 0.00 0.08 -0.15 -0.04 1.79 1.68 2yt9A4 LYS 418 HG2 -0.06 0.02 -0.07 -0.04 1.46 1.31 2yt9A4 LYS 418 HG3 -0.09 0.01 -0.59 -0.04 1.46 0.75 2yt9A4 LYS 418 HD2 -0.01 0.04 -0.44 -0.04 1.69 1.24 2yt9A4 LYS 418 HD3 -0.03 0.06 -0.10 -0.04 1.68 1.57 2yt9A4 LYS 418 HE2 -0.08 0.07 -0.09 -0.04 2.99 2.85 2yt9A4 LYS 418 HE3 -0.02 -0.14 0.04 -0.04 2.99 2.83 2yt9A4 PRO 419 HA -0.22 0.11 0.42 -0.51 4.44 4.24 2yt9A4 PRO 419 HB2 -0.80 -0.03 0.01 -0.04 2.28 1.42 2yt9A4 PRO 419 HB3 -0.25 0.01 0.13 -0.04 2.02 1.88 2yt9A4 PRO 419 HG2 -0.02 0.05 0.21 -0.04 2.03 2.22 2yt9A4 PRO 419 HG3 -0.07 0.13 0.25 -0.04 2.03 2.31 2yt9A4 PRO 419 HD2 -0.01 0.07 0.04 -0.04 3.68 3.74 2yt9A4 PRO 419 HD3 -0.06 0.10 0.19 -0.04 3.65 3.84 2yt9A4 TYR 420 H 0.00 0.32 0.02 -0.55 8.29 8.08 2yt9A4 TYR 420 HA 0.03 0.23 0.90 -0.75 4.56 4.97 2yt9A4 TYR 420 HB2 0.06 0.01 -0.02 -0.04 3.06 3.07 2yt9A4 TYR 420 HB3 0.04 -0.00 -0.04 -0.04 2.98 2.93 2yt9A4 TYR 420 HD2 0.01 0.05 -0.12 -0.04 7.15 7.05 2yt9A4 TYR 420 HE2 -0.00 0.00 -0.02 -0.04 6.85 6.80 2yt9A4 ILE 421 H 0.15 0.29 0.08 -0.55 8.25 8.22 2yt9A4 ILE 421 HA 0.16 -0.04 0.83 -0.75 4.18 4.38 2yt9A4 ILE 421 HB 0.05 -0.07 -0.31 -0.04 1.89 1.52 2yt9A4 ILE 421 HG12 0.06 -0.01 -0.02 -0.04 1.49 1.49 2yt9A4 ILE 421 HG13 0.03 0.08 -0.12 -0.04 1.21 1.17 2yt9A4 ILE 421 HG23 0.02 0.06 -0.52 -0.04 0.93 0.45 2yt9A4 ILE 421 HD13 0.03 -0.01 -0.13 -0.04 0.88 0.73 2yt9A4 CYS 422 H 0.13 -0.08 0.09 -0.55 8.50 8.10 2yt9A4 CYS 422 HA 0.08 0.13 0.36 -0.75 4.58 4.40 2yt9A4 CYS 422 HB2 0.06 0.07 0.17 -0.04 2.97 3.22 2yt9A4 CYS 422 HB3 0.12 -0.25 0.08 -0.04 2.97 2.88 2yt9A4 GLN 423 H 0.04 0.12 0.18 -0.55 8.47 8.26 2yt9A4 GLN 423 HA 0.02 0.28 0.68 -0.75 4.36 4.58 2yt9A4 GLN 423 HB2 -0.01 -0.06 0.12 -0.04 2.15 2.16 2yt9A4 GLN 423 HB3 -0.02 0.06 0.10 -0.04 2.02 2.11 2yt9A4 GLN 423 HG2 0.01 0.04 0.06 -0.04 2.40 2.46 2yt9A4 GLN 423 HG3 0.02 0.07 -0.04 -0.04 2.39 2.40 2yt9A4 GLN 423 HE21 0.01 -0.07 0.00 -0.04 6.97 6.88 2yt9A4 GLN 423 HE22 -0.00 0.01 -0.01 -0.04 7.69 7.65 2yt9A4 SER 424 H -0.01 -0.20 -0.16 -0.55 8.46 7.55 2yt9A4 SER 424 HA -0.08 0.32 0.89 -0.75 4.49 4.88 2yt9A4 SER 424 HB2 -0.74 -0.14 0.15 -0.04 3.95 3.18 2yt9A4 SER 424 HB3 -0.32 0.10 0.02 -0.04 3.93 3.70 2yt9A4 CYS 425 H 0.23 0.01 0.08 -0.55 8.50 8.27 2yt9A4 CYS 425 HA 0.11 0.22 0.45 -0.75 4.58 4.61 2yt9A4 CYS 425 HB2 0.14 0.10 0.03 -0.04 2.97 3.20 2yt9A4 CYS 425 HB3 0.30 0.04 0.06 -0.04 2.97 3.33 2yt9A4 GLY 426 H 0.09 -0.23 -0.52 -0.55 8.43 7.23 2yt9A4 GLY 426 HA2 0.05 0.12 0.13 -0.51 4.01 3.80 2yt9A4 GLY 426 HA3 0.03 0.17 0.17 -0.51 4.01 3.88 2yt9A4 LYS 427 H 0.04 -0.21 -0.08 -0.55 8.42 7.62 2yt9A4 LYS 427 HA -0.04 0.29 0.68 -0.75 4.32 4.50 2yt9A4 LYS 427 HB2 -0.04 0.04 -0.01 -0.04 1.87 1.82 2yt9A4 LYS 427 HB3 -0.14 -0.23 0.18 -0.04 1.79 1.55 2yt9A4 LYS 427 HG2 -0.36 0.15 -0.06 -0.04 1.46 1.15 2yt9A4 LYS 427 HG3 -0.13 0.05 -0.01 -0.04 1.46 1.33 2yt9A4 LYS 427 HD2 -0.06 -0.03 0.00 -0.04 1.69 1.56 2yt9A4 LYS 427 HD3 -0.28 -0.01 0.02 -0.04 1.68 1.37 2yt9A4 LYS 427 HE2 -0.07 0.03 -0.00 -0.04 2.99 2.91 2yt9A4 LYS 427 HE3 -0.04 -0.00 0.00 -0.04 2.99 2.91 2yt9A4 GLY 428 H -0.10 -0.07 0.10 -0.55 8.43 7.81 2yt9A4 GLY 428 HA2 0.06 0.18 0.45 -0.51 4.01 4.20 2yt9A4 GLY 428 HA3 -0.08 0.21 0.79 -0.51 4.01 4.42 2yt9A4 PHE 429 H 0.21 0.85 0.29 -0.55 8.34 9.13 2yt9A4 PHE 429 HA 0.03 0.14 0.89 -0.75 4.62 4.92 2yt9A4 PHE 429 HB2 0.07 0.03 -0.00 -0.04 3.15 3.21 2yt9A4 PHE 429 HB3 0.09 -0.06 -0.02 -0.04 3.06 3.03 2yt9A4 PHE 429 HD2 0.07 -0.08 -0.12 -0.04 7.28 7.11 2yt9A4 PHE 429 HE2 -0.18 -0.07 0.01 -0.04 7.38 7.10 2yt9A4 PHE 429 HZ -0.08 0.01 0.02 -0.04 7.32 7.23 2yt9A4 SER 430 H 0.07 0.15 0.15 -0.55 8.46 8.29 2yt9A4 SER 430 HA -0.00 0.09 0.44 -0.75 4.49 4.26 2yt9A4 SER 430 HB2 -0.01 0.01 0.19 -0.04 3.95 4.10 2yt9A4 SER 430 HB3 -0.11 -0.03 0.08 -0.04 3.93 3.83 2yt9A4 ARG 431 H -0.27 0.00 -0.04 -0.55 8.46 7.60 2yt9A4 ARG 431 HA 0.02 0.31 0.86 -0.75 4.34 4.77 2yt9A4 ARG 431 HB2 -0.85 -0.02 0.09 -0.04 1.90 1.08 2yt9A4 ARG 431 HB3 -0.12 -0.17 0.03 -0.04 1.80 1.51 2yt9A4 ARG 431 HG2 -0.05 0.00 0.04 -0.04 1.67 1.62 2yt9A4 ARG 431 HG3 -0.03 0.10 0.08 -0.04 1.67 1.78 2yt9A4 ARG 431 HD2 -0.07 0.09 -0.13 -0.04 3.22 3.07 2yt9A4 ARG 431 HD3 -0.26 -0.09 -0.05 -0.04 3.22 2.78 2yt9A4 PRO 432 HA -0.14 0.15 0.42 -0.51 4.44 4.37 2yt9A4 PRO 432 HB2 -0.19 0.06 -0.01 -0.04 2.28 2.09 2yt9A4 PRO 432 HB3 -0.52 0.12 0.09 -0.04 2.02 1.67 2yt9A4 PRO 432 HG2 -0.04 -0.07 0.16 -0.04 2.03 2.04 2yt9A4 PRO 432 HG3 -0.04 0.14 0.11 -0.04 2.03 2.20 2yt9A4 PRO 432 HD2 0.01 0.08 0.25 -0.04 3.68 3.98 2yt9A4 PRO 432 HD3 0.13 0.28 0.23 -0.04 3.65 4.24 2yt9A4 ASP 433 H 0.01 0.23 0.02 -0.55 8.40 8.11 2yt9A4 ASP 433 HA -0.02 0.10 0.37 -0.75 4.63 4.34 2yt9A4 ASP 433 HB2 0.08 0.00 0.11 -0.04 2.71 2.86 2yt9A4 ASP 433 HB3 0.10 0.06 -0.09 -0.04 2.70 2.73 2yt9A4 HIS 434 H 0.23 0.07 -0.59 -0.55 8.41 7.58 2yt9A4 HIS 434 HA -0.06 0.10 0.35 -0.75 4.63 4.26 2yt9A4 HIS 434 HB2 0.12 0.22 -0.00 -0.04 3.26 3.56 2yt9A4 HIS 434 HB3 0.22 0.03 0.04 -0.04 3.20 3.45 2yt9A4 HIS 434 HD2 0.19 0.03 0.06 -0.04 6.97 7.20 2yt9A4 HIS 434 HE1 0.04 0.05 -0.01 -0.04 7.75 7.79 2yt9A4 LEU 435 H -0.11 0.44 -0.44 -0.55 8.37 7.72 2yt9A4 LEU 435 HA -0.92 0.04 0.61 -0.75 4.35 3.33 2yt9A4 LEU 435 HB2 -0.10 0.03 -0.01 -0.04 1.64 1.51 2yt9A4 LEU 435 HB3 -0.11 0.21 0.08 -0.04 1.64 1.77 2yt9A4 LEU 435 HG -0.06 -0.01 -0.16 -0.04 1.64 1.37 2yt9A4 LEU 435 HD13 -0.08 -0.05 -0.06 -0.04 0.93 0.69 2yt9A4 LEU 435 HD23 0.05 0.04 -0.31 -0.04 0.89 0.63 2yt9A4 ASN 436 H -0.11 0.34 -0.10 -0.55 8.53 8.11 2yt9A4 ASN 436 HA -0.05 0.05 0.39 -0.75 4.76 4.39 2yt9A4 ASN 436 HB2 -0.06 -0.02 0.07 -0.04 2.88 2.83 2yt9A4 ASN 436 HB3 -0.05 0.11 0.17 -0.04 2.79 2.99 2yt9A4 ASN 436 HD21 -0.04 0.05 -0.27 -0.04 7.03 6.73 2yt9A4 ASN 436 HD22 -0.03 0.00 -0.13 -0.04 7.74 7.55 2yt9A4 GLY 437 H -0.10 0.30 -0.37 -0.55 8.43 7.71 2yt9A4 GLY 437 HA2 -0.04 0.14 0.54 -0.51 4.01 4.14 2yt9A4 GLY 437 HA3 -0.06 0.07 0.24 -0.51 4.01 3.75 2yt9A4 HIS 438 H -0.12 0.23 -0.22 -0.55 8.41 7.75 2yt9A4 HIS 438 HA -0.05 0.07 0.47 -0.75 4.63 4.36 2yt9A4 HIS 438 HB2 -0.27 0.10 0.18 -0.04 3.26 3.22 2yt9A4 HIS 438 HB3 -0.33 0.07 0.23 -0.04 3.20 3.13 2yt9A4 HIS 438 HD2 0.20 -0.00 -0.20 -0.04 6.97 6.92 2yt9A4 HIS 438 HE1 0.07 0.08 0.02 -0.04 7.75 7.88 2yt9A4 ILE 439 H 0.07 0.46 -0.17 -0.55 8.25 8.06 2yt9A4 ILE 439 HA 0.26 -0.10 0.33 -0.75 4.18 3.91 2yt9A4 ILE 439 HB 0.03 0.16 -0.01 -0.04 1.89 2.03 2yt9A4 ILE 439 HG12 0.09 -0.11 0.05 -0.04 1.49 1.48 2yt9A4 ILE 439 HG13 0.15 -0.06 0.11 -0.04 1.21 1.38 2yt9A4 ILE 439 HG23 0.05 -0.01 -0.05 -0.04 0.93 0.88 2yt9A4 ILE 439 HD13 -0.00 -0.01 -0.04 -0.04 0.88 0.79 2yt9A4 LYS 440 H -0.02 0.11 -0.71 -0.55 8.42 7.24 2yt9A4 LYS 440 HA -0.01 0.13 0.53 -0.75 4.32 4.21 2yt9A4 LYS 440 HB2 -0.03 0.01 0.07 -0.04 1.87 1.89 2yt9A4 LYS 440 HB3 -0.03 0.01 -0.07 -0.04 1.79 1.66 2yt9A4 LYS 440 HG2 -0.02 -0.03 -0.00 -0.04 1.46 1.37 2yt9A4 LYS 440 HG3 -0.01 0.01 -0.01 -0.04 1.46 1.40 2yt9A4 LYS 440 HD2 -0.01 -0.01 -0.06 -0.04 1.69 1.57 2yt9A4 LYS 440 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.60 2yt9A4 LYS 440 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 2yt9A4 LYS 440 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2yt9A4 GLN 441 H -0.10 0.12 -0.14 -0.55 8.47 7.80 2yt9A4 GLN 441 HA -0.08 0.04 0.53 -0.75 4.36 4.10 2yt9A4 GLN 441 HB2 -0.10 0.05 0.20 -0.04 2.15 2.26 2yt9A4 GLN 441 HB3 -0.16 -0.08 0.11 -0.04 2.02 1.86 2yt9A4 GLN 441 HG2 -0.05 0.04 0.04 -0.04 2.40 2.39 2yt9A4 GLN 441 HG3 -0.04 -0.04 -0.03 -0.04 2.39 2.24 2yt9A4 GLN 441 HE21 -0.00 -0.03 -0.04 -0.04 6.97 6.86 2yt9A4 GLN 441 HE22 0.02 -0.02 -0.01 -0.04 7.69 7.63 2yt9A4 VAL 442 H -0.45 0.27 0.18 -0.55 8.24 7.69 2yt9A4 VAL 442 HA -0.22 0.08 0.58 -0.75 4.13 3.82 2yt9A4 VAL 442 HB -1.02 -0.14 0.15 -0.04 2.12 1.08 2yt9A4 VAL 442 HG13 -0.40 -0.01 -0.06 -0.04 0.97 0.46 2yt9A4 VAL 442 HG23 -0.30 -0.02 0.05 -0.04 0.95 0.64 2yt9A4 HIS 443 H -0.45 -0.04 0.01 -0.55 8.41 7.38 2yt9A4 HIS 443 HA -0.03 0.09 0.54 -0.75 4.63 4.48 2yt9A4 HIS 443 HB2 -0.01 0.14 0.16 -0.04 3.26 3.51 2yt9A4 HIS 443 HB3 0.00 -0.12 0.20 -0.04 3.20 3.24 2yt9A4 HIS 443 HD2 0.18 -0.05 0.01 -0.04 6.97 7.07 2yt9A4 HIS 443 HE1 0.09 0.07 -0.03 -0.04 7.75 7.83 2yt9A4 SER 444 H 0.11 -0.09 0.13 -0.55 8.46 8.06 2yt9A4 SER 444 HA 0.03 -0.06 0.36 -0.75 4.49 4.06 2yt9A4 SER 444 HB2 0.02 0.41 -0.14 -0.04 3.95 4.20 2yt9A4 SER 444 HB3 0.01 -0.15 0.16 -0.04 3.93 3.91 2yt9A4 GLY 445 H 0.00 0.02 0.16 -0.55 8.43 8.07 2yt9A4 GLY 445 HA2 -0.01 0.01 0.32 -0.51 4.01 3.82 2yt9A4 GLY 445 HA3 -0.00 0.31 0.84 -0.51 4.01 4.65 2yt9A4 PRO 446 HA -0.00 -0.00 0.45 -0.51 4.44 4.38 2yt9A4 PRO 446 HB2 -0.00 0.01 0.10 -0.04 2.28 2.35 2yt9A4 PRO 446 HB3 -0.00 -0.01 0.12 -0.04 2.02 2.09 2yt9A4 PRO 446 HG2 -0.00 0.05 0.17 -0.04 2.03 2.21 2yt9A4 PRO 446 HG3 -0.01 0.02 0.12 -0.04 2.03 2.12 2yt9A4 PRO 446 HD2 -0.01 0.21 0.21 -0.04 3.68 4.05 2yt9A4 PRO 446 HD3 -0.01 0.10 0.18 -0.04 3.65 3.88 2yt9A4 SER 447 H 0.00 0.22 0.18 -0.55 8.46 8.31 2yt9A4 SER 447 HA 0.00 0.02 0.55 -0.75 4.49 4.31 2yt9A4 SER 447 HB2 0.01 -0.00 -0.08 -0.04 3.95 3.84 2yt9A4 SER 447 HB3 0.00 0.10 -0.04 -0.04 3.93 3.96 2yt9A4 SER 448 H 0.00 0.13 0.11 -0.55 8.46 8.15 2yt9A4 SER 448 HA 0.00 0.13 0.76 -0.75 4.49 4.63 2yt9A4 SER 448 HB2 0.00 0.10 0.00 -0.04 3.95 4.01 2yt9A4 SER 448 HB3 0.00 -0.05 0.11 -0.04 3.93 3.95 2yt9A4 GLY 449 H 0.00 0.05 0.07 -0.55 8.43 8.01 2yt9A4 GLY 449 HA2 0.00 0.16 0.24 -0.51 4.01 3.90 2yt9A4 GLY 449 HA3 0.00 0.04 0.20 -0.51 4.01 3.74