============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 3 0.900 40.671 51.195 13.518 -99.200 -91.000 PHE 12 1.000 35.538 45.040 24.260 -99.200 -91.000 HIS 26 0.900 42.647 33.722 17.487 -99.200 -91.000 TYR 28 0.840 33.672 40.125 18.421 -99.200 -91.000 TYR 39 0.840 37.749 29.053 11.943 -99.200 -91.000 PHE 41 1.000 38.660 23.529 8.089 -99.200 -91.000 PHE 42 1.000 30.993 22.608 5.378 -99.200 -91.000 PHE 51 1.000 39.124 22.613 -1.537 -99.200 -91.000 TYR 62 0.840 27.468 31.244 16.752 -99.200 -91.000 PHE 89 1.000 33.383 42.542 9.765 -99.200 -91.000 TYR 98 0.840 13.071 47.538 17.226 -99.200 -91.000 PHE 99 1.000 13.605 43.105 17.152 -99.200 -91.000 HIS 101 0.900 21.632 48.925 20.640 -99.200 -91.000 TYR 110 0.840 5.066 35.762 21.589 -99.200 -91.000 TYR 122 0.840 7.856 26.074 20.330 -99.200 -91.000 HIS 126 0.900 9.721 25.304 16.504 -99.200 -91.000 HIS 133 0.900 25.158 15.981 11.648 -99.200 -91.000 PHE 142 1.000 0.308 25.285 31.158 -99.200 -91.000 TYR 148 0.840 8.536 28.323 31.932 -99.200 -91.000 HIS 155 0.900 21.607 23.799 27.233 -99.200 -91.000 TRP 160 1.040 5.529 29.477 38.905 -99.200 -91.000 TRP6 160 1.020 7.332 28.126 39.612 -99.200 -91.000 HIS 180 0.900 21.985 30.447 19.950 -99.200 -91.000 HIS 182 0.900 30.477 32.111 25.210 -99.200 -91.000 TRP 186 1.040 15.381 38.171 19.106 -99.200 -91.000 TRP6 186 1.020 15.013 36.241 20.404 -99.200 -91.000 TYR 193 0.840 19.425 30.414 14.475 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yt4A1 GLY 489 HA2 -0.01 -0.09 0.23 -0.51 4.01 3.63 2yt4A1 GLY 489 HA3 -0.02 -0.04 0.18 -0.51 4.01 3.61 2yt4A1 SER 490 H -0.03 0.19 0.10 -0.55 8.46 8.18 2yt4A1 SER 490 HA -0.09 0.14 0.88 -0.75 4.49 4.66 2yt4A1 SER 490 HB2 -0.02 0.47 0.29 -0.04 3.95 4.64 2yt4A1 SER 490 HB3 -0.02 -0.16 0.31 -0.04 3.93 4.02 2yt4A1 HIS 491 H 0.06 0.23 0.25 -0.55 8.41 8.41 2yt4A1 HIS 491 HA 0.01 0.25 0.90 -0.75 4.63 5.04 2yt4A1 HIS 491 HB2 0.01 -0.06 0.00 -0.04 3.26 3.18 2yt4A1 HIS 491 HB3 0.03 -0.01 -0.08 -0.04 3.20 3.10 2yt4A1 HIS 491 HD2 0.02 -0.03 -0.10 -0.04 6.97 6.82 2yt4A1 HIS 491 HE1 0.02 -0.06 -0.01 -0.04 7.75 7.66 2yt4A1 MET 492 H 0.05 0.26 0.22 -0.55 8.47 8.46 2yt4A1 MET 492 HA 0.06 0.36 0.99 -0.75 4.52 5.18 2yt4A1 MET 492 HB2 0.08 0.07 -0.07 -0.04 2.15 2.19 2yt4A1 MET 492 HB3 0.04 -0.03 -0.12 -0.04 2.03 1.88 2yt4A1 MET 492 HG2 0.05 -0.01 0.27 -0.04 2.63 2.90 2yt4A1 MET 492 HG3 0.10 -0.04 0.05 -0.04 2.56 2.63 2yt4A1 MET 492 HE3 0.00 0.00 -0.17 -0.04 2.10 1.90 2yt4A1 SER 493 H 0.07 0.26 0.07 -0.55 8.46 8.31 2yt4A1 SER 493 HA 0.08 0.26 0.78 -0.75 4.49 4.86 2yt4A1 SER 493 HB2 0.06 -0.01 0.20 -0.04 3.95 4.16 2yt4A1 SER 493 HB3 0.06 0.03 0.09 -0.04 3.93 4.07 2yt4A1 VAL 494 H 0.13 0.30 -0.07 -0.55 8.24 8.05 2yt4A1 VAL 494 HA 0.13 0.03 0.39 -0.75 4.13 3.91 2yt4A1 VAL 494 HB 0.30 -0.13 0.03 -0.04 2.12 2.27 2yt4A1 VAL 494 HG13 0.25 0.04 -0.07 -0.04 0.97 1.15 2yt4A1 VAL 494 HG23 0.14 0.03 -0.06 -0.04 0.95 1.02 2yt4A1 GLN 495 H 0.14 0.13 0.26 -0.55 8.47 8.45 2yt4A1 GLN 495 HA 0.14 0.21 0.97 -0.75 4.36 4.93 2yt4A1 GLN 495 HB2 0.11 0.07 0.05 -0.04 2.15 2.34 2yt4A1 GLN 495 HB3 0.15 -0.06 0.10 -0.04 2.02 2.16 2yt4A1 GLN 495 HG2 0.12 -0.21 0.21 -0.04 2.40 2.49 2yt4A1 GLN 495 HG3 0.08 0.31 0.26 -0.04 2.39 2.99 2yt4A1 GLN 495 HE21 0.03 -0.07 0.04 -0.04 6.97 6.93 2yt4A1 GLN 495 HE22 0.06 0.14 0.13 -0.04 7.69 7.98 2yt4A1 ASP 496 H 0.12 0.49 0.11 -0.55 8.40 8.58 2yt4A1 ASP 496 HA 0.13 0.22 0.65 -0.75 4.63 4.88 2yt4A1 ASP 496 HB2 0.13 -0.12 0.02 -0.04 2.71 2.70 2yt4A1 ASP 496 HB3 0.13 0.02 0.08 -0.04 2.70 2.88 2yt4A1 LYS 500 HA 0.01 -0.09 0.35 -0.75 4.32 3.84 2yt4A1 LYS 500 HB2 0.05 0.01 0.48 -0.04 1.87 2.36 2yt4A1 LYS 500 HB3 0.04 -0.06 0.37 -0.04 1.79 2.10 2yt4A1 LYS 500 HG2 0.03 -0.05 0.10 -0.04 1.46 1.50 2yt4A1 LYS 500 HG3 0.04 -0.01 0.09 -0.04 1.46 1.54 2yt4A1 LYS 500 HD2 0.02 0.02 -0.12 -0.04 1.69 1.57 2yt4A1 LYS 500 HD3 0.01 -0.01 0.00 -0.04 1.68 1.64 2yt4A1 LYS 500 HE2 0.03 0.01 0.01 -0.04 2.99 2.99 2yt4A1 LYS 500 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2yt4A1 LYS 501 H 0.05 0.23 -0.60 -0.55 8.42 7.55 2yt4A1 LYS 501 HA -0.08 0.21 0.84 -0.75 4.32 4.53 2yt4A1 LYS 501 HB2 0.05 -0.01 -0.03 -0.04 1.87 1.83 2yt4A1 LYS 501 HB3 0.12 -0.04 -0.10 -0.04 1.79 1.73 2yt4A1 LYS 501 HG2 0.01 0.04 -0.08 -0.04 1.46 1.39 2yt4A1 LYS 501 HG3 -0.46 -0.19 0.08 -0.04 1.46 0.85 2yt4A1 LYS 501 HD2 -0.14 0.00 -0.01 -0.04 1.69 1.50 2yt4A1 LYS 501 HD3 -0.07 0.02 -0.05 -0.04 1.68 1.55 2yt4A1 LYS 501 HE2 0.08 -0.02 -0.04 -0.04 2.99 2.96 2yt4A1 LYS 501 HE3 0.17 0.06 -0.02 -0.04 2.99 3.17 2yt4A1 GLU 502 H -0.38 0.20 0.06 -0.55 8.60 7.94 2yt4A1 GLU 502 HA 0.06 0.20 0.70 -0.75 4.29 4.49 2yt4A1 GLU 502 HB2 -0.00 0.13 -0.13 -0.04 2.09 2.05 2yt4A1 GLU 502 HB3 -0.07 -0.08 -0.08 -0.04 1.99 1.71 2yt4A1 GLU 502 HG2 -0.00 -0.07 -0.28 -0.04 2.34 1.95 2yt4A1 GLU 502 HG3 0.05 0.20 -0.11 -0.04 2.34 2.44 2yt4A1 PHE 503 H 0.26 0.91 0.26 -0.55 8.34 9.21 2yt4A1 PHE 503 HA 0.02 0.17 0.96 -0.75 4.62 5.02 2yt4A1 PHE 503 HB2 0.08 -0.02 -0.02 -0.04 3.15 3.14 2yt4A1 PHE 503 HB3 0.04 -0.04 0.01 -0.04 3.06 3.03 2yt4A1 PHE 503 HD2 0.02 -0.00 -0.15 -0.04 7.28 7.10 2yt4A1 PHE 503 HE2 -0.01 0.02 -0.11 -0.04 7.38 7.23 2yt4A1 PHE 503 HZ -0.03 0.06 -0.03 -0.04 7.32 7.28 2yt4A1 VAL 504 H 0.17 0.23 0.15 -0.55 8.24 8.24 2yt4A1 VAL 504 HA 0.05 0.41 1.00 -0.75 4.13 4.83 2yt4A1 VAL 504 HB 0.01 -0.03 0.03 -0.04 2.12 2.09 2yt4A1 VAL 504 HG13 -0.18 -0.02 -0.25 -0.04 0.97 0.48 2yt4A1 VAL 504 HG23 0.04 0.01 -0.19 -0.04 0.95 0.77 2yt4A1 ILE 505 H -0.02 0.31 0.25 -0.55 8.25 8.24 2yt4A1 ILE 505 HA -0.02 0.18 0.97 -0.75 4.18 4.55 2yt4A1 ILE 505 HB 0.06 -0.03 0.06 -0.04 1.89 1.94 2yt4A1 ILE 505 HG12 0.12 -0.00 -0.13 -0.04 1.49 1.43 2yt4A1 ILE 505 HG13 0.15 0.02 -0.07 -0.04 1.21 1.26 2yt4A1 ILE 505 HG23 0.07 0.01 -0.16 -0.04 0.93 0.81 2yt4A1 ILE 505 HD13 0.08 0.05 -0.27 -0.04 0.88 0.71 2yt4A1 ASN 506 H -0.04 0.18 0.09 -0.55 8.53 8.22 2yt4A1 ASN 506 HA 0.01 0.18 0.70 -0.75 4.76 4.89 2yt4A1 ASN 506 HB2 0.03 -0.01 0.05 -0.04 2.88 2.91 2yt4A1 ASN 506 HB3 0.04 -0.03 0.18 -0.04 2.79 2.95 2yt4A1 ASN 506 HD21 0.12 -0.01 -0.12 -0.04 7.03 6.99 2yt4A1 ASN 506 HD22 0.19 0.05 -0.21 -0.04 7.74 7.73 2yt4A1 PRO 507 HA 0.08 0.04 0.54 -0.51 4.44 4.59 2yt4A1 PRO 507 HB2 0.05 -0.01 -0.06 -0.04 2.28 2.22 2yt4A1 PRO 507 HB3 0.09 -0.03 -0.04 -0.04 2.02 2.00 2yt4A1 PRO 507 HG2 0.07 -0.08 0.13 -0.04 2.03 2.11 2yt4A1 PRO 507 HG3 0.04 -0.00 -0.07 -0.04 2.03 1.96 2yt4A1 PRO 507 HD2 0.35 0.24 0.39 -0.04 3.68 4.62 2yt4A1 PRO 507 HD3 0.10 0.37 0.18 -0.04 3.65 4.26 2yt4A1 ASN 508 H 0.08 0.24 0.03 -0.55 8.53 8.33 2yt4A1 ASN 508 HA 0.03 -0.04 0.38 -0.75 4.76 4.38 2yt4A1 ASN 508 HB2 0.02 -0.03 0.01 -0.04 2.88 2.83 2yt4A1 ASN 508 HB3 0.02 0.08 0.12 -0.04 2.79 2.96 2yt4A1 ASN 508 HD21 0.03 -0.03 -0.05 -0.04 7.03 6.94 2yt4A1 ASN 508 HD22 0.03 0.08 -0.17 -0.04 7.74 7.64 2yt4A1 GLY 509 H 0.02 0.09 0.17 -0.55 8.43 8.16 2yt4A1 GLY 509 HA2 0.02 -0.06 0.36 -0.51 4.01 3.82 2yt4A1 GLY 509 HA3 0.03 0.15 0.61 -0.51 4.01 4.28 2yt4A1 LYS 510 H 0.04 0.59 -0.13 -0.55 8.42 8.37 2yt4A1 LYS 510 HA 0.03 0.09 0.97 -0.75 4.32 4.66 2yt4A1 LYS 510 HB2 0.06 0.12 0.06 -0.04 1.87 2.06 2yt4A1 LYS 510 HB3 0.05 -0.20 0.06 -0.04 1.79 1.66 2yt4A1 LYS 510 HG2 0.04 -0.07 -0.12 -0.04 1.46 1.27 2yt4A1 LYS 510 HG3 0.05 0.13 -0.29 -0.04 1.46 1.30 2yt4A1 LYS 510 HD2 0.06 0.14 0.09 -0.04 1.69 1.94 2yt4A1 LYS 510 HD3 0.06 -0.16 -0.07 -0.04 1.68 1.47 2yt4A1 LYS 510 HE2 0.04 -0.11 -0.02 -0.04 2.99 2.86 2yt4A1 LYS 510 HE3 0.05 0.07 -0.02 -0.04 2.99 3.05 2yt4A1 SER 511 H 0.03 0.08 0.16 -0.55 8.46 8.18 2yt4A1 SER 511 HA 0.04 0.21 0.58 -0.75 4.49 4.56 2yt4A1 SER 511 HB2 0.01 -0.07 0.17 -0.04 3.95 4.02 2yt4A1 SER 511 HB3 0.01 0.13 0.11 -0.04 3.93 4.14 2yt4A1 GLU 512 H 0.05 0.17 0.18 -0.55 8.60 8.45 2yt4A1 GLU 512 HA 0.10 0.16 0.37 -0.75 4.29 4.16 2yt4A1 GLU 512 HB2 0.05 -0.05 0.15 -0.04 2.09 2.20 2yt4A1 GLU 512 HB3 0.06 0.07 0.06 -0.04 1.99 2.14 2yt4A1 GLU 512 HG2 0.06 -0.11 0.20 -0.04 2.34 2.45 2yt4A1 GLU 512 HG3 0.05 0.01 0.08 -0.04 2.34 2.44 2yt4A1 VAL 513 H 0.03 0.03 -0.13 -0.55 8.24 7.63 2yt4A1 VAL 513 HA 0.13 0.14 0.36 -0.75 4.13 4.00 2yt4A1 VAL 513 HB -0.02 -0.09 0.03 -0.04 2.12 2.00 2yt4A1 VAL 513 HG13 -0.04 0.03 -0.19 -0.04 0.97 0.74 2yt4A1 VAL 513 HG23 -0.08 0.01 -0.13 -0.04 0.95 0.71 2yt4A1 CYS 514 H 0.04 -0.01 -0.29 -0.55 8.50 7.68 2yt4A1 CYS 514 HA 0.07 0.09 0.44 -0.75 4.58 4.43 2yt4A1 CYS 514 HB2 0.04 -0.07 0.16 -0.04 2.97 3.06 2yt4A1 CYS 514 HB3 0.05 0.11 0.00 -0.04 2.97 3.09 2yt4A1 ILE 515 H 0.08 0.68 -0.09 -0.55 8.25 8.37 2yt4A1 ILE 515 HA 0.09 0.05 0.29 -0.75 4.18 3.86 2yt4A1 ILE 515 HB 0.10 0.01 0.06 -0.04 1.89 2.01 2yt4A1 ILE 515 HG12 0.10 0.04 -0.02 -0.04 1.49 1.56 2yt4A1 ILE 515 HG13 0.09 0.21 -0.12 -0.04 1.21 1.35 2yt4A1 ILE 515 HG23 0.14 -0.01 -0.18 -0.04 0.93 0.85 2yt4A1 ILE 515 HD13 0.16 0.00 -0.12 -0.04 0.88 0.88 2yt4A1 LEU 516 H 0.07 0.61 -0.23 -0.55 8.37 8.26 2yt4A1 LEU 516 HA 0.03 0.02 0.39 -0.75 4.35 4.02 2yt4A1 LEU 516 HB2 -0.01 0.02 0.07 -0.04 1.64 1.68 2yt4A1 LEU 516 HB3 0.10 0.08 0.12 -0.04 1.64 1.90 2yt4A1 LEU 516 HG -0.02 -0.03 -0.01 -0.04 1.64 1.54 2yt4A1 LEU 516 HD13 0.01 -0.01 -0.24 -0.04 0.93 0.66 2yt4A1 LEU 516 HD23 -0.03 -0.01 -0.01 -0.04 0.89 0.79 2yt4A1 HIS 517 H 0.19 0.45 -0.24 -0.55 8.41 8.26 2yt4A1 HIS 517 HA 0.03 0.01 0.43 -0.75 4.63 4.34 2yt4A1 HIS 517 HB2 0.07 0.04 0.16 -0.04 3.26 3.49 2yt4A1 HIS 517 HB3 0.04 0.13 0.28 -0.04 3.20 3.60 2yt4A1 HIS 517 HD2 0.01 -0.00 -0.12 -0.04 6.97 6.81 2yt4A1 HIS 517 HE1 0.02 -0.00 0.01 -0.04 7.75 7.73 2yt4A1 GLU 518 H 0.15 0.74 0.01 -0.55 8.60 8.95 2yt4A1 GLU 518 HA -0.02 -0.02 0.40 -0.75 4.29 3.90 2yt4A1 GLU 518 HB2 0.09 -0.03 0.09 -0.04 2.09 2.20 2yt4A1 GLU 518 HB3 0.08 0.12 0.17 -0.04 1.99 2.32 2yt4A1 GLU 518 HG2 0.03 0.01 -0.25 -0.04 2.34 2.08 2yt4A1 GLU 518 HG3 0.02 -0.04 0.03 -0.04 2.34 2.31 2yt4A1 TYR 519 H 0.12 0.70 -0.13 -0.55 8.29 8.43 2yt4A1 TYR 519 HA -0.13 -0.04 0.35 -0.75 4.56 3.98 2yt4A1 TYR 519 HB2 -0.06 -0.01 0.08 -0.04 3.06 3.02 2yt4A1 TYR 519 HB3 -0.10 0.10 0.20 -0.04 2.98 3.14 2yt4A1 TYR 519 HD2 -0.12 -0.00 -0.06 -0.04 7.15 6.92 2yt4A1 TYR 519 HE2 -0.11 0.02 -0.08 -0.04 6.85 6.63 2yt4A1 MET 520 H -0.04 0.72 -0.02 -0.55 8.47 8.59 2yt4A1 MET 520 HA -0.44 -0.07 0.43 -0.75 4.52 3.69 2yt4A1 MET 520 HB2 -0.15 0.09 0.20 -0.04 2.15 2.25 2yt4A1 MET 520 HB3 -0.21 0.18 -0.03 -0.04 2.03 1.93 2yt4A1 MET 520 HG2 -0.12 -0.03 -0.02 -0.04 2.63 2.43 2yt4A1 MET 520 HG3 0.06 0.02 0.05 -0.04 2.56 2.65 2yt4A1 MET 520 HE3 -0.18 0.02 -0.41 -0.04 2.10 1.49 2yt4A1 GLN 521 H -0.27 0.54 -0.07 -0.55 8.47 8.11 2yt4A1 GLN 521 HA -0.21 -0.02 0.51 -0.75 4.36 3.89 2yt4A1 GLN 521 HB2 -0.25 -0.06 0.05 -0.04 2.15 1.85 2yt4A1 GLN 521 HB3 -0.29 0.15 0.18 -0.04 2.02 2.02 2yt4A1 GLN 521 HG2 -0.12 0.11 -0.58 -0.04 2.40 1.76 2yt4A1 GLN 521 HG3 -0.10 -0.06 -0.08 -0.04 2.39 2.11 2yt4A1 GLN 521 HE21 0.01 -0.05 -0.03 -0.04 6.97 6.86 2yt4A1 GLN 521 HE22 -0.03 -0.01 -0.04 -0.04 7.69 7.57 2yt4A1 ARG 522 H -0.21 0.67 0.01 -0.55 8.46 8.37 2yt4A1 ARG 522 HA -0.13 -0.02 0.40 -0.75 4.34 3.84 2yt4A1 ARG 522 HB2 -0.20 0.25 0.23 -0.04 1.90 2.13 2yt4A1 ARG 522 HB3 -0.26 -0.06 -0.02 -0.04 1.80 1.42 2yt4A1 ARG 522 HG2 -0.05 -0.06 0.05 -0.04 1.67 1.57 2yt4A1 ARG 522 HG3 -0.04 -0.04 0.01 -0.04 1.67 1.56 2yt4A1 ARG 522 HD2 0.05 0.02 -0.03 -0.04 3.22 3.22 2yt4A1 ARG 522 HD3 0.05 -0.04 0.01 -0.04 3.22 3.19 2yt4A1 VAL 523 H -0.60 0.71 0.15 -0.55 8.24 7.95 2yt4A1 VAL 523 HA -0.76 0.09 0.61 -0.75 4.13 3.33 2yt4A1 VAL 523 HB -1.16 0.04 0.07 -0.04 2.12 1.02 2yt4A1 VAL 523 HG13 -0.42 -0.01 -0.15 -0.04 0.97 0.35 2yt4A1 VAL 523 HG23 -1.15 -0.03 -0.02 -0.04 0.95 -0.29 2yt4A1 LEU 524 H -0.52 0.19 0.06 -0.55 8.37 7.55 2yt4A1 LEU 524 HA -0.22 0.12 0.67 -0.75 4.35 4.17 2yt4A1 LEU 524 HB2 -0.34 0.09 0.15 -0.04 1.64 1.50 2yt4A1 LEU 524 HB3 -0.32 -0.04 0.03 -0.04 1.64 1.27 2yt4A1 LEU 524 HG -0.54 -0.08 -0.04 -0.04 1.64 0.93 2yt4A1 LEU 524 HD13 -0.09 -0.02 -0.03 -0.04 0.93 0.75 2yt4A1 LEU 524 HD23 -0.09 0.03 -0.04 -0.04 0.89 0.74 2yt4A1 LYS 525 H -0.27 0.22 -0.21 -0.55 8.42 7.61 2yt4A1 LYS 525 HA -0.16 0.10 0.41 -0.75 4.32 3.92 2yt4A1 LYS 525 HB2 -0.11 0.18 -0.04 -0.04 1.87 1.85 2yt4A1 LYS 525 HB3 -0.09 -0.15 0.18 -0.04 1.79 1.70 2yt4A1 LYS 525 HG2 -0.09 0.05 0.02 -0.04 1.46 1.40 2yt4A1 LYS 525 HG3 -0.13 0.07 -0.44 -0.04 1.46 0.92 2yt4A1 LYS 525 HD2 -0.04 0.00 -0.09 -0.04 1.69 1.52 2yt4A1 LYS 525 HD3 -0.03 -0.12 -0.01 -0.04 1.68 1.48 2yt4A1 LYS 525 HE2 -0.01 -0.05 0.02 -0.04 2.99 2.90 2yt4A1 LYS 525 HE3 -0.01 0.17 0.00 -0.04 2.99 3.12 2yt4A1 VAL 526 H -0.24 0.52 -0.06 -0.55 8.24 7.91 2yt4A1 VAL 526 HA -0.17 0.06 0.54 -0.75 4.13 3.81 2yt4A1 VAL 526 HB -0.24 -0.04 -0.05 -0.04 2.12 1.76 2yt4A1 VAL 526 HG13 -0.69 0.06 -0.21 -0.04 0.97 0.09 2yt4A1 VAL 526 HG23 -0.37 -0.03 -0.26 -0.04 0.95 0.25 2yt4A1 ARG 527 H -0.10 0.14 0.09 -0.55 8.46 8.04 2yt4A1 ARG 527 HA -0.13 0.19 0.80 -0.75 4.34 4.45 2yt4A1 ARG 527 HB2 -0.04 -0.03 -0.00 -0.04 1.90 1.79 2yt4A1 ARG 527 HB3 -0.02 -0.04 0.06 -0.04 1.80 1.76 2yt4A1 ARG 527 HG2 0.05 0.26 -0.07 -0.04 1.67 1.88 2yt4A1 ARG 527 HG3 0.08 -0.04 0.05 -0.04 1.67 1.72 2yt4A1 ARG 527 HD2 0.04 -0.04 -0.01 -0.04 3.22 3.17 2yt4A1 ARG 527 HD3 0.04 -0.02 -0.04 -0.04 3.22 3.16 2yt4A1 PRO 528 HA -0.16 0.14 0.56 -0.51 4.44 4.47 2yt4A1 PRO 528 HB2 -0.34 -0.01 -0.07 -0.04 2.28 1.81 2yt4A1 PRO 528 HB3 -0.15 0.05 0.01 -0.04 2.02 1.90 2yt4A1 PRO 528 HG2 0.16 -0.03 0.07 -0.04 2.03 2.19 2yt4A1 PRO 528 HG3 0.12 0.01 0.00 -0.04 2.03 2.12 2yt4A1 PRO 528 HD2 0.02 0.04 0.25 -0.04 3.68 3.94 2yt4A1 PRO 528 HD3 -0.11 0.22 0.19 -0.04 3.65 3.91 2yt4A1 VAL 529 H -0.18 0.46 0.30 -0.55 8.24 8.27 2yt4A1 VAL 529 HA 0.01 0.13 0.93 -0.75 4.13 4.44 2yt4A1 VAL 529 HB -0.01 0.03 0.01 -0.04 2.12 2.11 2yt4A1 VAL 529 HG13 -0.05 -0.00 0.10 -0.04 0.97 0.98 2yt4A1 VAL 529 HG23 0.03 -0.00 -0.09 -0.04 0.95 0.85 2yt4A1 TYR 530 H 0.17 0.14 0.16 -0.55 8.29 8.21 2yt4A1 TYR 530 HA -0.11 0.32 1.06 -0.75 4.56 5.07 2yt4A1 TYR 530 HB2 -0.00 -0.04 0.10 -0.04 3.06 3.07 2yt4A1 TYR 530 HB3 -0.48 -0.01 -0.02 -0.04 2.98 2.44 2yt4A1 TYR 530 HD2 -0.09 0.04 -0.08 -0.04 7.15 6.98 2yt4A1 TYR 530 HE2 -0.00 0.03 -0.11 -0.04 6.85 6.72 2yt4A1 ASN 531 H -0.13 0.73 0.41 -0.55 8.53 9.00 2yt4A1 ASN 531 HA 0.05 0.12 0.86 -0.75 4.76 5.03 2yt4A1 ASN 531 HB2 0.05 0.03 -0.14 -0.04 2.88 2.79 2yt4A1 ASN 531 HB3 0.06 -0.01 -0.01 -0.04 2.79 2.79 2yt4A1 ASN 531 HD21 0.12 0.01 -0.06 -0.04 7.03 7.06 2yt4A1 ASN 531 HD22 0.08 0.00 -0.06 -0.04 7.74 7.73 2yt4A1 PHE 532 H 0.24 0.20 0.19 -0.55 8.34 8.42 2yt4A1 PHE 532 HA -0.16 0.27 1.06 -0.75 4.62 5.03 2yt4A1 PHE 532 HB2 0.02 -0.04 0.11 -0.04 3.15 3.21 2yt4A1 PHE 532 HB3 -0.04 0.06 0.13 -0.04 3.06 3.16 2yt4A1 PHE 532 HD2 -0.01 0.09 0.01 -0.04 7.28 7.33 2yt4A1 PHE 532 HE2 -0.03 0.01 -0.08 -0.04 7.38 7.24 2yt4A1 PHE 532 HZ -0.13 -0.03 -0.07 -0.04 7.32 7.05 2yt4A1 PHE 533 H -0.53 0.50 0.24 -0.55 8.34 7.99 2yt4A1 PHE 533 HA 0.10 0.10 0.63 -0.75 4.62 4.70 2yt4A1 PHE 533 HB2 0.06 -0.02 0.14 -0.04 3.15 3.28 2yt4A1 PHE 533 HB3 0.07 0.08 -0.16 -0.04 3.06 3.00 2yt4A1 PHE 533 HD2 0.04 0.07 -0.42 -0.04 7.28 6.92 2yt4A1 PHE 533 HE2 0.01 0.02 -0.29 -0.04 7.38 7.09 2yt4A1 PHE 533 HZ 0.02 0.09 -0.05 -0.04 7.32 7.34 2yt4A1 GLU 534 H 0.29 0.18 0.19 -0.55 8.60 8.72 2yt4A1 GLU 534 HA 0.04 0.35 1.17 -0.75 4.29 5.09 2yt4A1 GLU 534 HB2 -0.03 0.06 0.12 -0.04 2.09 2.20 2yt4A1 GLU 534 HB3 0.01 -0.03 -0.11 -0.04 1.99 1.82 2yt4A1 GLU 534 HG2 0.09 -0.06 0.04 -0.04 2.34 2.37 2yt4A1 GLU 534 HG3 0.05 0.00 -0.18 -0.04 2.34 2.17 2yt4A1 CYS 535 H -0.01 0.57 0.35 -0.55 8.50 8.87 2yt4A1 CYS 535 HA 0.07 0.13 0.83 -0.75 4.58 4.85 2yt4A1 CYS 535 HB2 0.02 0.17 0.12 -0.04 2.97 3.23 2yt4A1 CYS 535 HB3 0.05 -0.04 -0.05 -0.04 2.97 2.89 2yt4A1 GLU 536 H 0.01 0.19 0.04 -0.55 8.60 8.30 2yt4A1 GLU 536 HA -0.02 0.09 0.50 -0.75 4.29 4.10 2yt4A1 GLU 536 HB2 -0.00 0.01 0.24 -0.04 2.09 2.30 2yt4A1 GLU 536 HB3 -0.01 0.00 0.13 -0.04 1.99 2.07 2yt4A1 GLU 536 HG2 -0.00 0.01 -0.01 -0.04 2.34 2.31 2yt4A1 GLU 536 HG3 0.01 -0.02 0.05 -0.04 2.34 2.34 2yt4A1 ASN 537 H -0.04 0.65 -0.14 -0.55 8.53 8.45 2yt4A1 ASN 537 HA -0.01 0.15 0.61 -0.75 4.76 4.76 2yt4A1 ASN 537 HB2 0.00 0.09 -0.32 -0.04 2.88 2.60 2yt4A1 ASN 537 HB3 -0.01 0.11 -0.14 -0.04 2.79 2.72 2yt4A1 ASN 537 HD21 0.01 0.01 -0.07 -0.04 7.03 6.95 2yt4A1 ASN 537 HD22 0.01 0.09 -0.08 -0.04 7.74 7.72 2yt4A1 PRO 538 HA -0.05 0.09 0.39 -0.51 4.44 4.36 2yt4A1 PRO 538 HB2 -0.01 0.03 -0.02 -0.04 2.28 2.24 2yt4A1 PRO 538 HB3 -0.01 0.04 0.09 -0.04 2.02 2.10 2yt4A1 PRO 538 HG2 -0.01 0.06 0.04 -0.04 2.03 2.08 2yt4A1 PRO 538 HG3 -0.02 0.05 0.03 -0.04 2.03 2.05 2yt4A1 PRO 538 HD2 -0.01 0.09 0.13 -0.04 3.68 3.85 2yt4A1 PRO 538 HD3 -0.01 0.21 0.06 -0.04 3.65 3.86 2yt4A1 SER 539 H -0.01 0.02 -0.48 -0.55 8.46 7.45 2yt4A1 SER 539 HA 0.02 0.11 0.54 -0.75 4.49 4.41 2yt4A1 SER 539 HB2 0.01 -0.02 0.02 -0.04 3.95 3.92 2yt4A1 SER 539 HB3 0.01 0.01 -0.05 -0.04 3.93 3.86 2yt4A1 GLU 540 H -0.00 0.18 -0.33 -0.55 8.60 7.90 2yt4A1 GLU 540 HA 0.07 0.10 0.25 -0.75 4.29 3.96 2yt4A1 GLU 540 HB2 0.03 0.01 0.00 -0.04 2.09 2.10 2yt4A1 GLU 540 HB3 0.06 -0.04 -0.15 -0.04 1.99 1.82 2yt4A1 GLU 540 HG2 0.05 0.03 -0.18 -0.04 2.34 2.21 2yt4A1 GLU 540 HG3 0.03 -0.08 -0.49 -0.04 2.34 1.76 2yt4A1 PRO 541 HA -0.14 0.17 0.69 -0.51 4.44 4.64 2yt4A1 PRO 541 HB2 -0.52 -0.05 0.04 -0.04 2.28 1.72 2yt4A1 PRO 541 HB3 -0.24 0.02 0.05 -0.04 2.02 1.81 2yt4A1 PRO 541 HG2 -1.83 -0.07 0.06 -0.04 2.03 0.15 2yt4A1 PRO 541 HG3 -0.44 0.06 0.05 -0.04 2.03 1.65 2yt4A1 PRO 541 HD2 0.03 0.11 -0.02 -0.04 3.68 3.76 2yt4A1 PRO 541 HD3 -0.07 0.20 -0.38 -0.04 3.65 3.36 2yt4A1 PHE 542 H -0.22 0.22 -0.07 -0.55 8.34 7.71 2yt4A1 PHE 542 HA -0.04 0.14 0.65 -0.75 4.62 4.61 2yt4A1 PHE 542 HB2 -0.02 0.02 -0.24 -0.04 3.15 2.87 2yt4A1 PHE 542 HB3 -0.02 -0.02 -0.09 -0.04 3.06 2.89 2yt4A1 PHE 542 HD2 -0.02 0.12 -0.19 -0.04 7.28 7.14 2yt4A1 PHE 542 HE2 -0.02 0.15 0.06 -0.04 7.38 7.53 2yt4A1 PHE 542 HZ -0.02 0.03 0.05 -0.04 7.32 7.34 2yt4A1 GLY 543 H -0.14 0.50 0.42 -0.55 8.43 8.66 2yt4A1 GLY 543 HA2 -0.20 0.27 1.07 -0.51 4.01 4.64 2yt4A1 GLY 543 HA3 -0.97 0.03 0.26 -0.51 4.01 2.82 2yt4A1 ALA 544 H -0.22 0.67 0.35 -0.55 8.40 8.66 2yt4A1 ALA 544 HA -0.46 0.29 0.90 -0.75 4.34 4.32 2yt4A1 ALA 544 HB3 -0.11 0.01 -0.23 -0.04 1.41 1.04 2yt4A1 SER 545 H -0.11 0.58 0.44 -0.55 8.46 8.83 2yt4A1 SER 545 HA 0.11 0.21 0.95 -0.75 4.49 5.00 2yt4A1 SER 545 HB2 0.33 0.01 -0.05 -0.04 3.95 4.20 2yt4A1 SER 545 HB3 0.28 -0.04 -0.04 -0.04 3.93 4.09 2yt4A1 VAL 546 H 0.02 0.66 0.29 -0.55 8.24 8.65 2yt4A1 VAL 546 HA -0.29 0.24 1.16 -0.75 4.13 4.49 2yt4A1 VAL 546 HB -0.07 -0.11 0.18 -0.04 2.12 2.08 2yt4A1 VAL 546 HG13 -0.31 0.01 -0.15 -0.04 0.97 0.47 2yt4A1 VAL 546 HG23 -0.37 -0.02 -0.23 -0.04 0.95 0.29 2yt4A1 THR 547 H -0.11 0.66 0.33 -0.55 8.28 8.61 2yt4A1 THR 547 HA 0.14 0.41 1.04 -0.75 4.39 5.22 2yt4A1 THR 547 HB 0.05 -0.01 -0.29 -0.04 4.32 4.04 2yt4A1 THR 547 HG23 0.03 -0.01 -0.32 -0.04 1.22 0.88 2yt4A1 ILE 548 H 0.17 0.80 0.11 -0.55 8.25 8.78 2yt4A1 ILE 548 HA -0.07 0.08 0.77 -0.75 4.18 4.21 2yt4A1 ILE 548 HB -0.20 0.07 0.11 -0.04 1.89 1.83 2yt4A1 ILE 548 HG12 -0.63 -0.05 -0.44 -0.04 1.49 0.34 2yt4A1 ILE 548 HG13 -0.82 0.02 -0.13 -0.04 1.21 0.24 2yt4A1 ILE 548 HG23 0.01 0.01 -0.13 -0.04 0.93 0.78 2yt4A1 ILE 548 HD13 -0.23 0.06 -0.02 -0.04 0.88 0.65 2yt4A1 ASP 549 H 0.02 0.13 0.05 -0.55 8.40 8.05 2yt4A1 ASP 549 HA 0.03 -0.01 0.35 -0.75 4.63 4.24 2yt4A1 ASP 549 HB2 0.06 -0.05 -0.05 -0.04 2.71 2.62 2yt4A1 ASP 549 HB3 0.02 0.28 0.25 -0.04 2.70 3.21 2yt4A1 GLY 550 H 0.03 0.01 -0.16 -0.55 8.43 7.76 2yt4A1 GLY 550 HA2 0.03 -0.05 0.28 -0.51 4.01 3.76 2yt4A1 GLY 550 HA3 0.02 0.17 0.46 -0.51 4.01 4.16 2yt4A1 VAL 551 H 0.08 0.34 -0.68 -0.55 8.24 7.44 2yt4A1 VAL 551 HA 0.02 0.15 0.78 -0.75 4.13 4.33 2yt4A1 VAL 551 HB 0.17 0.04 0.07 -0.04 2.12 2.36 2yt4A1 VAL 551 HG13 -0.09 0.04 -0.08 -0.04 0.97 0.80 2yt4A1 VAL 551 HG23 -0.16 0.05 -0.01 -0.04 0.95 0.80 2yt4A1 THR 552 H 0.01 0.20 0.14 -0.55 8.28 8.08 2yt4A1 THR 552 HA 0.11 0.09 0.70 -0.75 4.39 4.54 2yt4A1 THR 552 HB -0.02 0.09 0.09 -0.04 4.32 4.45 2yt4A1 THR 552 HG23 0.01 0.02 -0.21 -0.04 1.22 0.99 2yt4A1 TYR 553 H 0.18 0.62 0.25 -0.55 8.29 8.79 2yt4A1 TYR 553 HA -0.08 0.19 0.82 -0.75 4.56 4.74 2yt4A1 TYR 553 HB2 -0.07 -0.01 0.16 -0.04 3.06 3.10 2yt4A1 TYR 553 HB3 -0.08 -0.05 0.14 -0.04 2.98 2.95 2yt4A1 TYR 553 HD2 -0.05 0.02 -0.20 -0.04 7.15 6.89 2yt4A1 TYR 553 HE2 0.01 0.04 -0.10 -0.04 6.85 6.76 2yt4A1 GLY 554 H 0.10 0.06 0.19 -0.55 8.43 8.24 2yt4A1 GLY 554 HA2 -0.01 0.17 0.58 -0.51 4.01 4.24 2yt4A1 GLY 554 HA3 0.01 0.05 0.29 -0.51 4.01 3.85 2yt4A1 SER 555 H 0.03 0.24 0.26 -0.55 8.46 8.45 2yt4A1 SER 555 HA 0.12 0.14 1.13 -0.75 4.49 5.12 2yt4A1 SER 555 HB2 0.06 -0.01 0.06 -0.04 3.95 4.02 2yt4A1 SER 555 HB3 0.18 0.02 0.09 -0.04 3.93 4.18 2yt4A1 GLY 556 H 0.15 0.97 0.50 -0.55 8.43 9.50 2yt4A1 GLY 556 HA2 0.07 0.17 0.83 -0.51 4.01 4.57 2yt4A1 GLY 556 HA3 0.06 -0.03 0.34 -0.51 4.01 3.87 2yt4A1 THR 557 H 0.06 0.28 0.20 -0.55 8.28 8.28 2yt4A1 THR 557 HA 0.06 0.35 0.81 -0.75 4.39 4.85 2yt4A1 THR 557 HB 0.14 0.06 -0.16 -0.04 4.32 4.32 2yt4A1 THR 557 HG23 0.07 -0.02 -0.06 -0.04 1.22 1.16 2yt4A1 ALA 558 H 0.12 0.66 0.23 -0.55 8.40 8.85 2yt4A1 ALA 558 HA 0.07 0.14 0.44 -0.75 4.34 4.24 2yt4A1 ALA 558 HB3 0.06 0.02 -0.05 -0.04 1.41 1.39 2yt4A1 SER 559 H 0.08 0.17 0.22 -0.55 8.46 8.38 2yt4A1 SER 559 HA 0.20 0.22 0.51 -0.75 4.49 4.66 2yt4A1 SER 559 HB2 0.08 -0.00 0.17 -0.04 3.95 4.16 2yt4A1 SER 559 HB3 0.07 0.17 0.26 -0.04 3.93 4.39 2yt4A1 SER 560 H 0.07 0.07 -0.43 -0.55 8.46 7.62 2yt4A1 SER 560 HA -0.82 0.25 0.78 -0.75 4.49 3.95 2yt4A1 SER 560 HB2 -0.29 -0.03 0.12 -0.04 3.95 3.70 2yt4A1 SER 560 HB3 -0.14 0.20 -0.12 -0.04 3.93 3.82 2yt4A1 LYS 561 H -0.92 0.26 0.15 -0.55 8.42 7.36 2yt4A1 LYS 561 HA 0.01 0.13 0.31 -0.75 4.32 4.02 2yt4A1 LYS 561 HB2 -0.31 0.08 0.13 -0.04 1.87 1.72 2yt4A1 LYS 561 HB3 -0.29 -0.03 0.11 -0.04 1.79 1.54 2yt4A1 LYS 561 HG2 -0.08 -0.03 -0.18 -0.04 1.46 1.13 2yt4A1 LYS 561 HG3 -0.02 0.08 0.02 -0.04 1.46 1.50 2yt4A1 LYS 561 HD2 -0.31 0.04 0.01 -0.04 1.69 1.39 2yt4A1 LYS 561 HD3 -0.31 -0.02 -0.02 -0.04 1.68 1.29 2yt4A1 LYS 561 HE2 -0.88 -0.02 -0.05 -0.04 2.99 2.00 2yt4A1 LYS 561 HE3 -2.08 0.03 -0.02 -0.04 2.99 0.88 2yt4A1 LYS 562 H -0.18 0.10 -0.19 -0.55 8.42 7.59 2yt4A1 LYS 562 HA -0.06 0.13 0.38 -0.75 4.32 4.02 2yt4A1 LYS 562 HB2 -0.10 0.06 0.06 -0.04 1.87 1.85 2yt4A1 LYS 562 HB3 -0.09 -0.02 0.02 -0.04 1.79 1.66 2yt4A1 LYS 562 HG2 -0.04 -0.01 -0.24 -0.04 1.46 1.12 2yt4A1 LYS 562 HG3 -0.06 0.00 0.03 -0.04 1.46 1.39 2yt4A1 LYS 562 HD2 -0.06 0.03 -0.01 -0.04 1.69 1.61 2yt4A1 LYS 562 HD3 -0.05 0.01 -0.04 -0.04 1.68 1.56 2yt4A1 LYS 562 HE2 -0.03 -0.02 -0.04 -0.04 2.99 2.86 2yt4A1 LYS 562 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.88 2yt4A1 LEU 563 H -0.06 0.09 -0.32 -0.55 8.37 7.53 2yt4A1 LEU 563 HA -0.01 0.07 0.43 -0.75 4.35 4.09 2yt4A1 LEU 563 HB2 -0.02 -0.05 0.11 -0.04 1.64 1.64 2yt4A1 LEU 563 HB3 0.02 0.05 -0.08 -0.04 1.64 1.59 2yt4A1 LEU 563 HG 0.01 0.05 0.04 -0.04 1.64 1.70 2yt4A1 LEU 563 HD13 -0.02 0.00 -0.04 -0.04 0.93 0.83 2yt4A1 LEU 563 HD23 0.01 0.00 0.03 -0.04 0.89 0.89 2yt4A1 ALA 564 H 0.02 0.52 -0.23 -0.55 8.40 8.17 2yt4A1 ALA 564 HA 0.04 0.01 0.23 -0.75 4.34 3.87 2yt4A1 ALA 564 HB3 0.05 0.06 -0.26 -0.04 1.41 1.22 2yt4A1 LYS 565 H 0.02 0.35 -0.47 -0.55 8.42 7.77 2yt4A1 LYS 565 HA -0.03 0.06 0.31 -0.75 4.32 3.91 2yt4A1 LYS 565 HB2 0.02 0.16 0.13 -0.04 1.87 2.13 2yt4A1 LYS 565 HB3 -0.05 0.13 0.13 -0.04 1.79 1.95 2yt4A1 LYS 565 HG2 -0.21 -0.05 -0.05 -0.04 1.46 1.12 2yt4A1 LYS 565 HG3 -0.42 -0.04 -0.04 -0.04 1.46 0.92 2yt4A1 LYS 565 HD2 -0.08 0.02 -0.03 -0.04 1.69 1.55 2yt4A1 LYS 565 HD3 0.05 -0.01 -0.05 -0.04 1.68 1.63 2yt4A1 LYS 565 HE2 -1.54 0.01 -0.04 -0.04 2.99 1.37 2yt4A1 LYS 565 HE3 -0.07 0.03 -0.04 -0.04 2.99 2.86 2yt4A1 ASN 566 H 0.00 0.40 -0.19 -0.55 8.53 8.20 2yt4A1 ASN 566 HA 0.03 -0.05 0.50 -0.75 4.76 4.49 2yt4A1 ASN 566 HB2 0.02 0.18 0.12 -0.04 2.88 3.16 2yt4A1 ASN 566 HB3 0.03 -0.07 0.09 -0.04 2.79 2.80 2yt4A1 ASN 566 HD21 -0.01 -0.03 -0.00 -0.04 7.03 6.94 2yt4A1 ASN 566 HD22 -0.00 0.03 0.05 -0.04 7.74 7.78 2yt4A1 LYS 567 H 0.03 0.42 -0.20 -0.55 8.42 8.11 2yt4A1 LYS 567 HA 0.04 0.03 0.47 -0.75 4.32 4.11 2yt4A1 LYS 567 HB2 0.04 -0.01 0.20 -0.04 1.87 2.07 2yt4A1 LYS 567 HB3 0.04 0.08 0.12 -0.04 1.79 2.00 2yt4A1 LYS 567 HG2 0.04 -0.01 0.07 -0.04 1.46 1.51 2yt4A1 LYS 567 HG3 0.03 0.14 0.08 -0.04 1.46 1.67 2yt4A1 LYS 567 HD2 0.04 -0.07 -0.16 -0.04 1.69 1.47 2yt4A1 LYS 567 HD3 0.04 0.01 0.12 -0.04 1.68 1.82 2yt4A1 LYS 567 HE2 0.03 -0.01 0.05 -0.04 2.99 3.03 2yt4A1 LYS 567 HE3 0.03 -0.09 -0.00 -0.04 2.99 2.89 2yt4A1 ALA 568 H 0.06 0.62 -0.28 -0.55 8.40 8.25 2yt4A1 ALA 568 HA 0.06 0.06 -0.24 -0.75 4.34 3.47 2yt4A1 ALA 568 HB3 0.11 0.05 -0.23 -0.04 1.41 1.30 2yt4A1 ALA 569 H 0.11 0.35 -0.38 -0.55 8.40 7.93 2yt4A1 ALA 569 HA 0.05 0.07 0.38 -0.75 4.34 4.08 2yt4A1 ALA 569 HB3 0.12 0.01 -0.12 -0.04 1.41 1.39 2yt4A1 ARG 570 H 0.03 0.89 0.02 -0.55 8.46 8.84 2yt4A1 ARG 570 HA -0.08 -0.02 0.41 -0.75 4.34 3.89 2yt4A1 ARG 570 HB2 0.07 -0.05 0.16 -0.04 1.90 2.04 2yt4A1 ARG 570 HB3 0.04 0.08 0.19 -0.04 1.80 2.07 2yt4A1 ARG 570 HG2 0.09 0.03 -0.17 -0.04 1.67 1.58 2yt4A1 ARG 570 HG3 0.24 -0.03 0.06 -0.04 1.67 1.90 2yt4A1 ARG 570 HD2 0.09 -0.06 0.01 -0.04 3.22 3.22 2yt4A1 ARG 570 HD3 0.07 0.02 -0.00 -0.04 3.22 3.27 2yt4A1 ALA 571 H 0.00 0.74 -0.14 -0.55 8.40 8.46 2yt4A1 ALA 571 HA -0.02 -0.01 0.41 -0.75 4.34 3.97 2yt4A1 ALA 571 HB3 0.00 0.02 0.15 -0.04 1.41 1.54 2yt4A1 THR 572 H -0.04 0.43 -0.29 -0.55 8.28 7.83 2yt4A1 THR 572 HA -0.01 0.03 0.46 -0.75 4.39 4.12 2yt4A1 THR 572 HB -0.07 0.11 0.20 -0.04 4.32 4.52 2yt4A1 THR 572 HG23 -0.08 -0.00 -0.10 -0.04 1.22 1.00 2yt4A1 LEU 573 H -0.23 0.63 -0.04 -0.55 8.37 8.19 2yt4A1 LEU 573 HA -0.43 -0.01 0.43 -0.75 4.35 3.59 2yt4A1 LEU 573 HB2 -0.67 0.15 0.27 -0.04 1.64 1.34 2yt4A1 LEU 573 HB3 -1.76 -0.02 -0.02 -0.04 1.64 -0.21 2yt4A1 LEU 573 HG -0.86 -0.06 -0.04 -0.04 1.64 0.65 2yt4A1 LEU 573 HD13 -0.45 -0.01 -0.04 -0.04 0.93 0.39 2yt4A1 LEU 573 HD23 -0.18 -0.03 -0.10 -0.04 0.89 0.54 2yt4A1 GLU 574 H -0.23 0.62 -0.09 -0.55 8.60 8.36 2yt4A1 GLU 574 HA -0.03 -0.02 0.40 -0.75 4.29 3.88 2yt4A1 GLU 574 HB2 -0.05 0.20 0.17 -0.04 2.09 2.38 2yt4A1 GLU 574 HB3 -0.01 -0.05 -0.01 -0.04 1.99 1.88 2yt4A1 GLU 574 HG2 0.14 -0.07 0.03 -0.04 2.34 2.39 2yt4A1 GLU 574 HG3 0.08 0.06 0.05 -0.04 2.34 2.48 2yt4A1 ILE 575 H -0.10 0.31 -0.34 -0.55 8.25 7.58 2yt4A1 ILE 575 HA -0.08 0.06 0.59 -0.75 4.18 4.00 2yt4A1 ILE 575 HB -0.13 -0.03 -0.06 -0.04 1.89 1.63 2yt4A1 ILE 575 HG12 0.05 -0.08 -0.07 -0.04 1.49 1.35 2yt4A1 ILE 575 HG13 0.03 0.14 -0.27 -0.04 1.21 1.08 2yt4A1 ILE 575 HG23 -0.08 0.04 0.02 -0.04 0.93 0.87 2yt4A1 ILE 575 HD13 -0.03 -0.03 -0.14 -0.04 0.88 0.64 2yt4A1 LEU 576 H -0.13 0.34 -0.17 -0.55 8.37 7.86 2yt4A1 LEU 576 HA -0.01 0.10 0.83 -0.75 4.35 4.52 2yt4A1 LEU 576 HB2 -0.20 0.01 0.12 -0.04 1.64 1.52 2yt4A1 LEU 576 HB3 0.02 -0.06 0.01 -0.04 1.64 1.57 2yt4A1 LEU 576 HG 0.01 0.07 -0.04 -0.04 1.64 1.64 2yt4A1 LEU 576 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.80 2yt4A1 LEU 576 HD23 0.08 0.01 -0.05 -0.04 0.89 0.88 2yt4A1 ILE 577 H -0.20 0.83 0.09 -0.55 8.25 8.42 2yt4A1 ILE 577 HA -0.06 0.22 0.96 -0.75 4.18 4.54 2yt4A1 ILE 577 HB -0.14 -0.02 0.07 -0.04 1.89 1.76 2yt4A1 ILE 577 HG12 -0.48 0.03 -0.11 -0.04 1.49 0.89 2yt4A1 ILE 577 HG13 -0.67 -0.05 -0.14 -0.04 1.21 0.31 2yt4A1 ILE 577 HG23 0.05 0.01 -0.19 -0.04 0.93 0.76 2yt4A1 ILE 577 HD13 -0.65 -0.03 -0.05 -0.04 0.88 0.10 2yt4A1 PRO 578 HA 0.02 0.03 0.40 -0.51 4.44 4.38 2yt4A1 PRO 578 HB2 0.04 0.01 0.04 -0.04 2.28 2.32 2yt4A1 PRO 578 HB3 0.02 -0.02 0.05 -0.04 2.02 2.03 2yt4A1 PRO 578 HG2 -0.02 0.03 0.08 -0.04 2.03 2.08 2yt4A1 PRO 578 HG3 -0.02 0.03 -0.01 -0.04 2.03 2.00 2yt4A1 PRO 578 HD2 0.03 0.04 0.22 -0.04 3.68 3.93 2yt4A1 PRO 578 HD3 -0.00 0.46 0.25 -0.04 3.65 4.31 2yt4A1 ASP 579 H 0.04 0.13 0.15 -0.55 8.40 8.18 2yt4A1 ASP 579 HA 0.05 0.01 0.32 -0.75 4.63 4.25 2yt4A1 ASP 579 HB2 0.05 0.27 -0.14 -0.04 2.71 2.86 2yt4A1 ASP 579 HB3 0.03 -0.10 0.28 -0.04 2.70 2.87 2yt4A1 PHE 580 H 0.17 0.34 -0.17 -0.55 8.34 8.12 2yt4A1 PHE 580 HA -0.02 0.06 0.30 -0.75 4.62 4.21 2yt4A1 PHE 580 HB2 -0.06 0.29 -0.04 -0.04 3.15 3.30 2yt4A1 PHE 580 HB3 -0.04 -0.02 0.08 -0.04 3.06 3.04 2yt4A1 PHE 580 HD2 -0.05 0.04 -0.01 -0.04 7.28 7.22 2yt4A1 PHE 580 HE2 -0.03 -0.02 -0.03 -0.04 7.38 7.26 2yt4A1 PHE 580 HZ -0.01 -0.04 -0.05 -0.04 7.32 7.18 2yt4A1 VAL 581 H -0.04 0.95 -0.66 -0.55 8.24 7.94 2yt4A1 VAL 581 HA -0.08 0.18 0.72 -0.75 4.13 4.19 2yt4A1 VAL 581 HB -0.02 0.03 0.09 -0.04 2.12 2.18 2yt4A1 VAL 581 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.75 2yt4A1 VAL 581 HG23 -0.01 0.06 0.15 -0.04 0.95 1.11 2yt4A1 LYS 582 H -0.36 0.32 -0.23 -0.55 8.42 7.59 2yt4A1 LYS 582 HA -0.22 0.03 0.24 -0.75 4.32 3.61 2yt4A1 LYS 582 HB2 -0.07 0.21 0.04 -0.04 1.87 2.00 2yt4A1 LYS 582 HB3 -0.08 -0.01 0.14 -0.04 1.79 1.80 2yt4A1 LYS 582 HG2 -0.09 0.01 -0.03 -0.04 1.46 1.31 2yt4A1 LYS 582 HG3 -0.09 -0.10 -0.36 -0.04 1.46 0.87 2yt4A1 LYS 582 HD2 -0.04 0.00 -0.03 -0.04 1.69 1.58 2yt4A1 LYS 582 HD3 -0.03 -0.03 -0.06 -0.04 1.68 1.52 2yt4A1 LYS 582 HE2 -0.02 -0.03 -0.05 -0.04 2.99 2.84 2yt4A1 LYS 582 HE3 -0.03 -0.01 -0.14 -0.04 2.99 2.77 2yt4A1 GLN 583 H -0.14 -0.15 -1.25 -0.55 8.47 6.38 2yt4A1 GLN 583 HA -0.03 0.23 0.29 -0.75 4.36 4.09 2yt4A1 GLN 583 HB2 -0.03 0.06 -0.22 -0.04 2.15 1.92 2yt4A1 GLN 583 HB3 -0.02 0.04 -0.00 -0.04 2.02 1.99 2yt4A1 GLN 583 HG2 0.01 -0.05 0.06 -0.04 2.40 2.37 2yt4A1 GLN 583 HG3 0.02 -0.04 0.12 -0.04 2.39 2.45 2yt4A1 GLN 583 HE21 0.04 -0.09 0.10 -0.04 6.97 6.98 2yt4A1 GLN 583 HE22 0.04 -0.09 0.10 -0.04 7.69 7.70 2yt4A1 SER 592 HA 0.03 -0.06 0.22 -0.75 4.49 3.92 2yt4A1 SER 592 HB2 0.03 0.00 0.04 -0.04 3.95 3.98 2yt4A1 SER 592 HB3 0.03 -0.03 -0.06 -0.04 3.93 3.84 2yt4A1 GLU 593 H 0.05 0.12 0.06 -0.55 8.60 8.28 2yt4A1 GLU 593 HA 0.05 0.15 0.81 -0.75 4.29 4.55 2yt4A1 GLU 593 HB2 0.04 0.02 0.06 -0.04 2.09 2.18 2yt4A1 GLU 593 HB3 0.06 -0.05 -0.04 -0.04 1.99 1.92 2yt4A1 GLU 593 HG2 0.04 0.05 -0.04 -0.04 2.34 2.35 2yt4A1 GLU 593 HG3 0.04 0.02 -0.07 -0.04 2.34 2.29 2yt4A1 GLU 594 H 0.07 0.23 0.15 -0.55 8.60 8.50 2yt4A1 GLU 594 HA 0.10 0.09 0.34 -0.75 4.29 4.06 2yt4A1 GLU 594 HB2 0.14 0.03 0.03 -0.04 2.09 2.24 2yt4A1 GLU 594 HB3 0.08 0.07 0.12 -0.04 1.99 2.22 2yt4A1 GLU 594 HG2 0.07 0.05 0.17 -0.04 2.34 2.59 2yt4A1 GLU 594 HG3 0.10 -0.23 0.13 -0.04 2.34 2.30 2yt4A1 LEU 595 H 0.14 0.17 -0.04 -0.55 8.37 8.10 2yt4A1 LEU 595 HA 0.05 0.05 0.37 -0.75 4.35 4.06 2yt4A1 LEU 595 HB2 0.32 -0.04 0.16 -0.04 1.64 2.05 2yt4A1 LEU 595 HB3 0.24 0.07 0.09 -0.04 1.64 2.01 2yt4A1 LEU 595 HG 0.12 -0.05 0.03 -0.04 1.64 1.70 2yt4A1 LEU 595 HD13 0.09 0.02 -0.26 -0.04 0.93 0.73 2yt4A1 LEU 595 HD23 0.09 0.03 -0.03 -0.04 0.89 0.95 2yt4A1 GLU 596 H 0.16 0.67 -1.01 -0.55 8.60 7.87 2yt4A1 GLU 596 HA 0.08 -0.00 0.29 -0.75 4.29 3.90 2yt4A1 GLU 596 HB2 0.10 0.50 0.19 -0.04 2.09 2.84 2yt4A1 GLU 596 HB3 0.14 -0.00 0.06 -0.04 1.99 2.15 2yt4A1 GLU 596 HG2 0.13 -0.04 0.03 -0.04 2.34 2.42 2yt4A1 GLU 596 HG3 0.08 -0.05 0.07 -0.04 2.34 2.40 2yt4A1 TYR 597 H 0.23 0.09 -0.57 -0.55 8.29 7.49 2yt4A1 TYR 597 HA 0.12 0.16 0.49 -0.75 4.56 4.58 2yt4A1 TYR 597 HB2 -0.09 -0.01 -0.02 -0.04 3.06 2.89 2yt4A1 TYR 597 HB3 -0.05 0.06 0.03 -0.04 2.98 2.98 2yt4A1 TYR 597 HD2 -0.25 0.07 -0.04 -0.04 7.15 6.89 2yt4A1 TYR 597 HE2 -0.33 -0.02 -0.12 -0.04 6.85 6.34 2yt4A1 PHE 598 H -0.51 0.41 -0.10 -0.55 8.34 7.58 2yt4A1 PHE 598 HA 0.01 0.02 0.28 -0.75 4.62 4.18 2yt4A1 PHE 598 HB2 -0.06 0.13 -0.02 -0.04 3.15 3.16 2yt4A1 PHE 598 HB3 0.17 -0.10 -0.06 -0.04 3.06 3.03 2yt4A1 PHE 598 HD2 -0.19 0.11 0.04 -0.04 7.28 7.20 2yt4A1 PHE 598 HE2 -0.19 -0.01 -0.04 -0.04 7.38 7.10 2yt4A1 PHE 598 HZ -0.04 0.03 -0.22 -0.04 7.32 7.05 2yt4A1 ASN 599 H 0.04 0.27 -0.97 -0.55 8.53 7.33 2yt4A1 ASN 599 HA -0.01 -0.08 0.52 -0.75 4.76 4.44 2yt4A1 ASN 599 HB2 -0.33 0.14 0.05 -0.04 2.88 2.70 2yt4A1 ASN 599 HB3 -0.25 0.02 0.10 -0.04 2.79 2.62 2yt4A1 ASN 599 HD21 0.01 -0.04 -0.02 -0.04 7.03 6.94 2yt4A1 ASN 599 HD22 -0.02 0.02 0.02 -0.04 7.74 7.71 2yt4A1 HIS 600 H 0.09 0.61 -0.12 -0.55 8.41 8.45 2yt4A1 HIS 600 HA 0.09 0.21 0.91 -0.75 4.63 5.09 2yt4A1 HIS 600 HB2 0.07 0.01 0.12 -0.04 3.26 3.42 2yt4A1 HIS 600 HB3 0.07 -0.01 0.19 -0.04 3.20 3.40 2yt4A1 HIS 600 HD2 0.07 -0.00 -0.03 -0.04 6.97 6.96 2yt4A1 HIS 600 HE1 0.06 0.02 -0.03 -0.04 7.75 7.76 2yt4A1 ILE 601 H 0.15 0.26 -0.27 -0.55 8.25 7.85 2yt4A1 ILE 601 HA 0.13 0.15 0.94 -0.75 4.18 4.65 2yt4A1 ILE 601 HB 0.14 0.04 -0.10 -0.04 1.89 1.92 2yt4A1 ILE 601 HG12 0.13 0.29 -0.21 -0.04 1.49 1.67 2yt4A1 ILE 601 HG13 0.09 -0.07 0.06 -0.04 1.21 1.25 2yt4A1 ILE 601 HG23 0.29 -0.07 0.09 -0.04 0.93 1.20 2yt4A1 ILE 601 HD13 0.07 -0.04 -0.06 -0.04 0.88 0.82 2yt4A1 SER 602 H 0.12 0.11 0.11 -0.55 8.46 8.24 2yt4A1 SER 602 HA 0.15 0.47 0.48 -0.75 4.49 4.83 2yt4A1 SER 602 HB2 0.10 -0.12 0.04 -0.04 3.95 3.92 2yt4A1 SER 602 HB3 0.11 0.01 0.11 -0.04 3.93 4.12 2yt4A1 ILE 603 H 0.19 0.52 0.27 -0.55 8.25 8.67 2yt4A1 ILE 603 HA 0.71 0.02 0.42 -0.75 4.18 4.58 2yt4A1 ILE 603 HB 0.18 0.05 0.07 -0.04 1.89 2.15 2yt4A1 ILE 603 HG12 0.20 -0.14 -0.23 -0.04 1.49 1.28 2yt4A1 ILE 603 HG13 0.15 0.19 -0.30 -0.04 1.21 1.21 2yt4A1 ILE 603 HG23 0.34 -0.01 -0.09 -0.04 0.93 1.13 2yt4A1 ILE 603 HD13 -0.04 0.04 -0.16 -0.04 0.88 0.68 2yt4A1 GLU 604 H 0.14 0.06 -0.34 -0.55 8.60 7.91 2yt4A1 GLU 604 HA 0.09 0.22 0.71 -0.75 4.29 4.56 2yt4A1 GLU 604 HB2 0.09 -0.00 0.01 -0.04 2.09 2.14 2yt4A1 GLU 604 HB3 0.08 -0.03 0.11 -0.04 1.99 2.11 2yt4A1 GLU 604 HG2 0.11 0.04 -0.33 -0.04 2.34 2.12 2yt4A1 GLU 604 HG3 0.11 -0.00 -0.17 -0.04 2.34 2.24 2yt4A1 ASP 605 H 0.07 0.47 -0.47 -0.55 8.40 7.91 2yt4A1 ASP 605 HA 0.04 0.06 0.51 -0.75 4.63 4.49 2yt4A1 ASP 605 HB2 0.07 0.07 0.11 -0.04 2.71 2.91 2yt4A1 ASP 605 HB3 0.01 -0.01 0.11 -0.04 2.70 2.77 2yt4A1 SER 606 H 0.03 0.22 0.23 -0.55 8.46 8.39 2yt4A1 SER 606 HA 0.02 0.09 0.33 -0.75 4.49 4.17 2yt4A1 SER 606 HB2 0.02 -0.03 0.09 -0.04 3.95 4.00 2yt4A1 SER 606 HB3 0.03 -0.01 0.06 -0.04 3.93 3.97 2yt4A1 ARG 607 H 0.01 0.06 -0.43 -0.55 8.46 7.53 2yt4A1 ARG 607 HA 0.00 0.08 0.48 -0.75 4.34 4.14 2yt4A1 ARG 607 HB2 0.01 0.04 -0.03 -0.04 1.90 1.88 2yt4A1 ARG 607 HB3 -0.00 -0.01 0.02 -0.04 1.80 1.77 2yt4A1 ARG 607 HG2 0.00 0.03 -0.01 -0.04 1.67 1.64 2yt4A1 ARG 607 HG3 0.01 -0.07 -0.02 -0.04 1.67 1.55 2yt4A1 ARG 607 HD2 -0.00 0.02 -0.02 -0.04 3.22 3.18 2yt4A1 ARG 607 HD3 0.00 0.03 -0.01 -0.04 3.22 3.21 2yt4A1 VAL 608 H -0.07 0.62 -0.24 -0.55 8.24 8.00 2yt4A1 VAL 608 HA -0.17 -0.02 0.25 -0.75 4.13 3.44 2yt4A1 VAL 608 HB -0.31 0.05 0.03 -0.04 2.12 1.85 2yt4A1 VAL 608 HG13 -1.46 0.00 -0.14 -0.04 0.97 -0.66 2yt4A1 VAL 608 HG23 -0.21 0.02 0.05 -0.04 0.95 0.77 2yt4A1 TYR 609 H 0.01 0.21 -0.27 -0.55 8.29 7.68 2yt4A1 TYR 609 HA -0.16 0.08 0.46 -0.75 4.56 4.18 2yt4A1 TYR 609 HB2 -0.11 0.01 0.11 -0.04 3.06 3.02 2yt4A1 TYR 609 HB3 -0.07 -0.01 0.16 -0.04 2.98 3.01 2yt4A1 TYR 609 HD2 -0.06 -0.00 0.06 -0.04 7.15 7.11 2yt4A1 TYR 609 HE2 -0.03 -0.01 -0.02 -0.04 6.85 6.76 2yt4A1 GLU 610 H -0.03 0.15 0.03 -0.55 8.60 8.21 2yt4A1 GLU 610 HA -0.33 0.01 0.37 -0.75 4.29 3.59 2yt4A1 GLU 610 HB2 -0.09 0.01 0.07 -0.04 2.09 2.04 2yt4A1 GLU 610 HB3 -0.07 -0.02 0.15 -0.04 1.99 2.01 2yt4A1 GLU 610 HG2 -0.03 0.34 0.20 -0.04 2.34 2.81 2yt4A1 GLU 610 HG3 -0.03 0.01 -0.10 -0.04 2.34 2.18 2yt4A1 LEU 611 H -0.02 0.49 -0.26 -0.55 8.37 8.04 2yt4A1 LEU 611 HA 0.05 0.00 0.39 -0.75 4.35 4.04 2yt4A1 LEU 611 HB2 0.12 0.10 0.01 -0.04 1.64 1.83 2yt4A1 LEU 611 HB3 0.26 -0.01 -0.08 -0.04 1.64 1.77 2yt4A1 LEU 611 HG 0.04 -0.01 -0.02 -0.04 1.64 1.61 2yt4A1 LEU 611 HD13 0.00 -0.02 -0.11 -0.04 0.93 0.76 2yt4A1 LEU 611 HD23 0.06 -0.01 -0.10 -0.04 0.89 0.80 2yt4A1 THR 612 H 0.00 0.57 -0.02 -0.55 8.28 8.28 2yt4A1 THR 612 HA 0.08 -0.05 0.30 -0.75 4.39 3.97 2yt4A1 THR 612 HB -0.00 0.11 -0.13 -0.04 4.32 4.25 2yt4A1 THR 612 HG23 -0.30 0.04 0.06 -0.04 1.22 0.98 2yt4A1 SER 613 H -0.14 0.54 -0.30 -0.55 8.46 8.02 2yt4A1 SER 613 HA -0.07 0.05 0.40 -0.75 4.49 4.12 2yt4A1 SER 613 HB2 -0.24 0.11 0.22 -0.04 3.95 4.00 2yt4A1 SER 613 HB3 -0.18 -0.04 0.01 -0.04 3.93 3.68 2yt4A1 LYS 614 H -0.06 0.70 0.13 -0.55 8.42 8.64 2yt4A1 LYS 614 HA -0.01 -0.02 0.39 -0.75 4.32 3.92 2yt4A1 LYS 614 HB2 -0.02 -0.04 0.15 -0.04 1.87 1.91 2yt4A1 LYS 614 HB3 0.03 0.03 0.23 -0.04 1.79 2.04 2yt4A1 LYS 614 HG2 0.03 0.02 -0.18 -0.04 1.46 1.29 2yt4A1 LYS 614 HG3 -0.00 -0.03 0.02 -0.04 1.46 1.41 2yt4A1 LYS 614 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.59 2yt4A1 LYS 614 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 2yt4A1 LYS 614 HE2 -0.02 0.01 -0.04 -0.04 2.99 2.90 2yt4A1 LYS 614 HE3 -0.01 0.00 -0.02 -0.04 2.99 2.92 2yt4A1 ALA 615 H 0.12 0.91 0.02 -0.55 8.40 8.90 2yt4A1 ALA 615 HA 0.12 -0.04 0.35 -0.75 4.34 4.01 2yt4A1 ALA 615 HB3 0.28 -0.05 0.03 -0.04 1.41 1.62 2yt4A1 GLY 616 H 0.04 0.29 -0.95 -0.55 8.43 7.25 2yt4A1 GLY 616 HA2 0.02 0.05 0.37 -0.51 4.01 3.93 2yt4A1 GLY 616 HA3 0.03 -0.04 0.54 -0.51 4.01 4.03 2yt4A1 LEU 617 H 0.03 0.78 0.14 -0.55 8.37 8.78 2yt4A1 LEU 617 HA 0.02 0.18 0.85 -0.75 4.35 4.65 2yt4A1 LEU 617 HB2 -0.03 -0.03 0.01 -0.04 1.64 1.55 2yt4A1 LEU 617 HB3 -0.01 -0.07 0.10 -0.04 1.64 1.62 2yt4A1 LEU 617 HG -0.15 -0.07 -0.05 -0.04 1.64 1.32 2yt4A1 LEU 617 HD13 0.00 0.02 -0.06 -0.04 0.93 0.85 2yt4A1 LEU 617 HD23 0.09 -0.01 -0.41 -0.04 0.89 0.52 2yt4A1 LEU 618 H 0.03 0.13 0.10 -0.55 8.37 8.09 2yt4A1 LEU 618 HA 0.05 0.00 0.38 -0.75 4.35 4.02 2yt4A1 LEU 618 HB2 0.05 0.02 0.04 -0.04 1.64 1.71 2yt4A1 LEU 618 HB3 0.04 -0.07 -0.05 -0.04 1.64 1.52 2yt4A1 LEU 618 HG 0.02 -0.05 0.01 -0.04 1.64 1.58 2yt4A1 LEU 618 HD13 0.02 0.00 0.05 -0.04 0.93 0.96 2yt4A1 LEU 618 HD23 0.01 0.04 -0.02 -0.04 0.89 0.88 2yt4A1 SER 619 H 0.09 0.04 0.16 -0.55 8.46 8.21 2yt4A1 SER 619 HA 0.18 0.24 0.54 -0.75 4.49 4.70 2yt4A1 SER 619 HB2 0.22 0.01 0.14 -0.04 3.95 4.28 2yt4A1 SER 619 HB3 0.24 0.12 0.11 -0.04 3.93 4.36 2yt4A1 PRO 620 HA 0.47 0.15 0.32 -0.51 4.44 4.87 2yt4A1 PRO 620 HB2 -0.03 -0.08 0.15 -0.04 2.28 2.28 2yt4A1 PRO 620 HB3 0.15 0.14 0.02 -0.04 2.02 2.29 2yt4A1 PRO 620 HG2 -0.12 -0.02 0.01 -0.04 2.03 1.85 2yt4A1 PRO 620 HG3 -0.27 0.13 -0.00 -0.04 2.03 1.85 2yt4A1 PRO 620 HD2 0.01 0.03 0.21 -0.04 3.68 3.89 2yt4A1 PRO 620 HD3 0.12 0.25 0.17 -0.04 3.65 4.15 2yt4A1 TYR 621 H 0.04 0.08 -0.19 -0.55 8.29 7.67 2yt4A1 TYR 621 HA -0.22 0.13 0.36 -0.75 4.56 4.07 2yt4A1 TYR 621 HB2 -0.19 -0.02 -0.02 -0.04 3.06 2.79 2yt4A1 TYR 621 HB3 -0.19 -0.03 -0.03 -0.04 2.98 2.68 2yt4A1 TYR 621 HD2 -0.11 -0.00 -0.03 -0.04 7.15 6.97 2yt4A1 TYR 621 HE2 0.06 0.03 -0.07 -0.04 6.85 6.83 2yt4A1 GLN 622 H -0.04 0.01 -0.36 -0.55 8.47 7.54 2yt4A1 GLN 622 HA -0.34 0.05 0.39 -0.75 4.36 3.70 2yt4A1 GLN 622 HB2 0.01 0.16 0.15 -0.04 2.15 2.43 2yt4A1 GLN 622 HB3 -0.02 0.08 -0.03 -0.04 2.02 2.01 2yt4A1 GLN 622 HG2 0.02 0.07 0.03 -0.04 2.40 2.48 2yt4A1 GLN 622 HG3 0.02 -0.08 0.05 -0.04 2.39 2.34 2yt4A1 GLN 622 HE21 0.07 0.20 0.02 -0.04 6.97 7.22 2yt4A1 GLN 622 HE22 0.09 -0.01 0.06 -0.04 7.69 7.79 2yt4A1 ILE 623 H -0.00 0.62 -0.14 -0.55 8.25 8.18 2yt4A1 ILE 623 HA -0.14 0.07 0.33 -0.75 4.18 3.68 2yt4A1 ILE 623 HB 0.02 0.05 -0.02 -0.04 1.89 1.89 2yt4A1 ILE 623 HG12 0.11 0.01 -0.24 -0.04 1.49 1.33 2yt4A1 ILE 623 HG13 0.11 -0.02 -0.19 -0.04 1.21 1.07 2yt4A1 ILE 623 HG23 -0.27 0.00 -0.16 -0.04 0.93 0.45 2yt4A1 ILE 623 HD13 -0.00 0.00 -0.16 -0.04 0.88 0.68 2yt4A1 LEU 624 H -0.16 0.37 -0.49 -0.55 8.37 7.55 2yt4A1 LEU 624 HA -0.18 0.07 0.39 -0.75 4.35 3.87 2yt4A1 LEU 624 HB2 -0.05 0.09 0.10 -0.04 1.64 1.73 2yt4A1 LEU 624 HB3 -0.15 0.06 0.05 -0.04 1.64 1.56 2yt4A1 LEU 624 HG -0.01 0.02 -0.05 -0.04 1.64 1.57 2yt4A1 LEU 624 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.81 2yt4A1 LEU 624 HD23 -0.07 -0.00 -0.04 -0.04 0.89 0.74 2yt4A1 HIS 625 H -0.38 0.44 -0.09 -0.55 8.41 7.83 2yt4A1 HIS 625 HA -0.18 -0.01 0.38 -0.75 4.63 4.06 2yt4A1 HIS 625 HB2 -0.19 0.18 0.21 -0.04 3.26 3.43 2yt4A1 HIS 625 HB3 -0.17 -0.05 0.03 -0.04 3.20 2.96 2yt4A1 HIS 625 HD2 -0.31 -0.02 -0.04 -0.04 6.97 6.56 2yt4A1 HIS 625 HE1 -0.70 -0.08 -0.09 -0.04 7.75 6.85 2yt4A1 GLU 626 H -0.14 0.48 -0.18 -0.55 8.60 8.21 2yt4A1 GLU 626 HA -0.09 -0.03 0.36 -0.75 4.29 3.77 2yt4A1 GLU 626 HB2 -0.28 0.08 0.16 -0.04 2.09 2.00 2yt4A1 GLU 626 HB3 -0.20 0.03 -0.06 -0.04 1.99 1.72 2yt4A1 GLU 626 HG2 -0.05 -0.06 0.02 -0.04 2.34 2.21 2yt4A1 GLU 626 HG3 0.00 0.14 0.05 -0.04 2.34 2.49 2yt4A1 CYS 627 H -0.58 0.52 -0.19 -0.55 8.50 7.70 2yt4A1 CYS 627 HA -0.47 0.02 0.34 -0.75 4.58 3.71 2yt4A1 CYS 627 HB2 -0.69 0.00 0.10 -0.04 2.97 2.34 2yt4A1 CYS 627 HB3 -0.26 0.13 0.16 -0.04 2.97 2.97 2yt4A1 LEU 628 H -0.14 0.59 -0.17 -0.55 8.37 8.10 2yt4A1 LEU 628 HA -0.05 0.02 0.35 -0.75 4.35 3.91 2yt4A1 LEU 628 HB2 -0.05 0.08 0.14 -0.04 1.64 1.77 2yt4A1 LEU 628 HB3 -0.04 -0.09 -0.00 -0.04 1.64 1.47 2yt4A1 LEU 628 HG -0.05 0.29 -0.03 -0.04 1.64 1.81 2yt4A1 LEU 628 HD13 0.02 -0.05 -0.08 -0.04 0.93 0.77 2yt4A1 LEU 628 HD23 -0.03 -0.02 -0.13 -0.04 0.89 0.68 2yt4A1 LYS 629 H -0.08 0.60 -0.06 -0.55 8.42 8.32 2yt4A1 LYS 629 HA -0.06 -0.04 0.42 -0.75 4.32 3.88 2yt4A1 LYS 629 HB2 -0.05 0.10 0.14 -0.04 1.87 2.01 2yt4A1 LYS 629 HB3 -0.05 -0.09 0.01 -0.04 1.79 1.61 2yt4A1 LYS 629 HG2 -0.07 -0.10 0.02 -0.04 1.46 1.27 2yt4A1 LYS 629 HG3 -0.07 0.33 0.04 -0.04 1.46 1.71 2yt4A1 LYS 629 HD2 -0.05 0.05 -0.02 -0.04 1.69 1.63 2yt4A1 LYS 629 HD3 -0.05 -0.07 -0.03 -0.04 1.68 1.49 2yt4A1 LYS 629 HE2 -0.08 -0.07 -0.09 -0.04 2.99 2.72 2yt4A1 LYS 629 HE3 -0.04 -0.01 -0.42 -0.04 2.99 2.48 2yt4A1 ARG 630 H -0.04 0.53 -0.12 -0.55 8.46 8.28 2yt4A1 ARG 630 HA -0.05 -0.00 0.46 -0.75 4.34 3.99 2yt4A1 ARG 630 HB2 0.06 0.12 0.07 -0.04 1.90 2.10 2yt4A1 ARG 630 HB3 -0.00 -0.08 0.16 -0.04 1.80 1.84 2yt4A1 ARG 630 HG2 -0.01 -0.09 -0.01 -0.04 1.67 1.51 2yt4A1 ARG 630 HG3 -0.00 0.09 0.08 -0.04 1.67 1.80 2yt4A1 ARG 630 HD2 0.06 -0.05 -0.01 -0.04 3.22 3.18 2yt4A1 ARG 630 HD3 0.19 0.04 -0.06 -0.04 3.22 3.36 2yt4A1 ASN 631 H -0.03 0.43 -0.72 -0.55 8.53 7.66 2yt4A1 ASN 631 HA -0.00 0.06 1.00 -0.75 4.76 5.07 2yt4A1 ASN 631 HB2 -0.01 0.11 -0.01 -0.04 2.88 2.92 2yt4A1 ASN 631 HB3 0.01 0.02 -0.13 -0.04 2.79 2.66 2yt4A1 ASN 631 HD21 0.05 -0.07 -0.04 -0.04 7.03 6.94 2yt4A1 ASN 631 HD22 0.01 0.54 -0.12 -0.04 7.74 8.14 2yt4A1 HIS 632 H 0.10 0.13 0.09 -0.55 8.41 8.19 2yt4A1 HIS 632 HA -0.02 -0.00 0.51 -0.75 4.63 4.37 2yt4A1 HIS 632 HB2 -0.03 0.02 0.13 -0.04 3.26 3.34 2yt4A1 HIS 632 HB3 -0.01 0.02 0.06 -0.04 3.20 3.23 2yt4A1 HIS 632 HD2 -0.01 -0.09 0.09 -0.04 6.97 6.92 2yt4A1 HIS 632 HE1 -0.01 -0.03 -0.00 -0.04 7.75 7.67 2yt4A1 GLY 633 H 0.18 0.08 0.20 -0.55 8.43 8.35 2yt4A1 GLY 633 HA2 0.04 -0.10 0.43 -0.51 4.01 3.87 2yt4A1 GLY 633 HA3 0.01 0.03 0.39 -0.51 4.01 3.93 2yt4A1 MET 634 H 0.03 0.09 0.10 -0.55 8.47 8.14 2yt4A1 MET 634 HA 0.02 0.24 0.81 -0.75 4.52 4.84 2yt4A1 MET 634 HB2 0.00 0.04 -0.01 -0.04 2.15 2.13 2yt4A1 MET 634 HB3 0.00 -0.05 -0.01 -0.04 2.03 1.94 2yt4A1 MET 634 HG2 0.02 0.02 -0.57 -0.04 2.63 2.05 2yt4A1 MET 634 HG3 -0.01 0.08 -0.12 -0.04 2.56 2.47 2yt4A1 MET 634 HE3 0.02 0.04 -0.20 -0.04 2.10 1.92 2yt4A1 GLY 635 H 0.02 -0.05 0.06 -0.55 8.43 7.91 2yt4A1 GLY 635 HA2 0.01 0.00 0.30 -0.51 4.01 3.81 2yt4A1 GLY 635 HA3 0.02 0.09 0.69 -0.51 4.01 4.30 2yt4A1 ASP 636 H 0.02 0.12 0.21 -0.55 8.40 8.20 2yt4A1 ASP 636 HA 0.01 0.20 0.88 -0.75 4.63 4.97 2yt4A1 ASP 636 HB2 0.01 -0.00 0.07 -0.04 2.71 2.75 2yt4A1 ASP 636 HB3 0.01 0.04 -0.00 -0.04 2.70 2.71 2yt4A1 THR 637 H 0.02 0.18 0.15 -0.55 8.28 8.08 2yt4A1 THR 637 HA 0.04 0.44 1.32 -0.75 4.39 5.44 2yt4A1 THR 637 HB 0.04 -0.04 0.13 -0.04 4.32 4.40 2yt4A1 THR 637 HG23 0.10 0.00 -0.16 -0.04 1.22 1.12 2yt4A1 SER 638 H 0.05 0.85 0.43 -0.55 8.46 9.24 2yt4A1 SER 638 HA 0.07 0.11 0.74 -0.75 4.49 4.65 2yt4A1 SER 638 HB2 0.03 -0.02 0.13 -0.04 3.95 4.06 2yt4A1 SER 638 HB3 0.03 -0.01 -0.23 -0.04 3.93 3.68 2yt4A1 ILE 639 H 0.03 0.25 0.24 -0.55 8.25 8.22 2yt4A1 ILE 639 HA 0.03 0.31 1.15 -0.75 4.18 4.92 2yt4A1 ILE 639 HB -0.04 -0.02 -0.05 -0.04 1.89 1.74 2yt4A1 ILE 639 HG12 -0.02 -0.02 0.07 -0.04 1.49 1.48 2yt4A1 ILE 639 HG13 -0.02 -0.01 -0.27 -0.04 1.21 0.87 2yt4A1 ILE 639 HG23 -0.05 0.00 -0.23 -0.04 0.93 0.61 2yt4A1 ILE 639 HD13 -0.22 -0.01 -0.09 -0.04 0.88 0.52 2yt4A1 LYS 640 H 0.04 0.61 0.36 -0.55 8.42 8.88 2yt4A1 LYS 640 HA 0.05 0.14 1.01 -0.75 4.32 4.77 2yt4A1 LYS 640 HB2 0.01 0.01 -0.03 -0.04 1.87 1.83 2yt4A1 LYS 640 HB3 0.01 0.01 0.15 -0.04 1.79 1.91 2yt4A1 LYS 640 HG2 -0.03 0.03 -0.26 -0.04 1.46 1.16 2yt4A1 LYS 640 HG3 0.01 0.00 0.06 -0.04 1.46 1.49 2yt4A1 LYS 640 HD2 -0.01 -0.01 -0.03 -0.04 1.69 1.60 2yt4A1 LYS 640 HD3 -0.02 -0.01 -0.06 -0.04 1.68 1.54 2yt4A1 LYS 640 HE2 -0.02 -0.02 -0.05 -0.04 2.99 2.86 2yt4A1 LYS 640 HE3 -0.05 -0.00 -0.09 -0.04 2.99 2.80 2yt4A1 PHE 641 H 0.14 0.20 0.20 -0.55 8.34 8.33 2yt4A1 PHE 641 HA -0.04 0.24 0.94 -0.75 4.62 5.00 2yt4A1 PHE 641 HB2 -0.05 -0.02 -0.09 -0.04 3.15 2.96 2yt4A1 PHE 641 HB3 -0.04 0.01 0.04 -0.04 3.06 3.04 2yt4A1 PHE 641 HD2 -0.03 0.04 -0.09 -0.04 7.28 7.16 2yt4A1 PHE 641 HE2 -0.02 0.01 -0.05 -0.04 7.38 7.28 2yt4A1 PHE 641 HZ -0.01 0.04 0.02 -0.04 7.32 7.33 2yt4A1 GLU 642 H -1.48 0.30 0.07 -0.55 8.60 6.94 2yt4A1 GLU 642 HA -0.36 0.10 0.28 -0.75 4.29 3.55 2yt4A1 GLU 642 HB2 -0.21 -0.01 0.07 -0.04 2.09 1.89 2yt4A1 GLU 642 HB3 -0.17 0.15 0.05 -0.04 1.99 1.97 2yt4A1 GLU 642 HG2 -0.28 -0.05 -0.46 -0.04 2.34 1.51 2yt4A1 GLU 642 HG3 -0.34 0.01 0.00 -0.04 2.34 1.98 2yt4A1 GLN 649 HA 0.07 -0.10 0.26 -0.75 4.36 3.82 2yt4A1 GLN 649 HB2 0.05 -0.03 0.23 -0.04 2.15 2.36 2yt4A1 GLN 649 HB3 0.07 0.03 -0.38 -0.04 2.02 1.70 2yt4A1 GLN 649 HG2 0.04 -0.01 0.05 -0.04 2.40 2.44 2yt4A1 GLN 649 HG3 0.03 -0.01 0.01 -0.04 2.39 2.39 2yt4A1 GLN 649 HE21 0.03 0.00 -0.01 -0.04 6.97 6.95 2yt4A1 GLN 649 HE22 0.03 -0.01 -0.01 -0.04 7.69 7.65 2yt4A1 LYS 650 H 0.12 0.07 0.12 -0.55 8.42 8.18 2yt4A1 LYS 650 HA 0.19 0.18 0.62 -0.75 4.32 4.56 2yt4A1 LYS 650 HB2 0.14 -0.01 0.15 -0.04 1.87 2.10 2yt4A1 LYS 650 HB3 0.46 -0.02 0.08 -0.04 1.79 2.27 2yt4A1 LYS 650 HG2 0.40 -0.11 -0.16 -0.04 1.46 1.54 2yt4A1 LYS 650 HG3 0.19 -0.02 -0.24 -0.04 1.46 1.36 2yt4A1 LYS 650 HD2 0.08 0.02 -0.04 -0.04 1.69 1.71 2yt4A1 LYS 650 HD3 0.06 0.01 -0.05 -0.04 1.68 1.66 2yt4A1 LYS 650 HE2 0.19 -0.01 -0.17 -0.04 2.99 2.96 2yt4A1 LYS 650 HE3 0.13 -0.05 -0.13 -0.04 2.99 2.89 2yt4A1 SER 651 H 0.12 0.43 0.44 -0.55 8.46 8.91 2yt4A1 SER 651 HA -0.05 0.13 0.97 -0.75 4.49 4.78 2yt4A1 SER 651 HB2 -0.41 0.55 0.12 -0.04 3.95 4.18 2yt4A1 SER 651 HB3 -0.09 -0.01 0.32 -0.04 3.93 4.10 2yt4A1 GLU 652 H -0.59 0.13 0.21 -0.55 8.60 7.81 2yt4A1 GLU 652 HA -1.37 0.21 0.91 -0.75 4.29 3.29 2yt4A1 GLU 652 HB2 -1.99 0.11 0.17 -0.04 2.09 0.33 2yt4A1 GLU 652 HB3 -2.07 -0.05 0.13 -0.04 1.99 -0.05 2yt4A1 GLU 652 HG2 -0.45 -0.06 0.03 -0.04 2.34 1.83 2yt4A1 GLU 652 HG3 -0.51 0.03 -0.42 -0.04 2.34 1.40 2yt4A1 TYR 653 H -0.93 0.43 0.37 -0.55 8.29 7.61 2yt4A1 TYR 653 HA -0.17 0.30 0.97 -0.75 4.56 4.91 2yt4A1 TYR 653 HB2 -0.04 0.00 0.02 -0.04 3.06 3.01 2yt4A1 TYR 653 HB3 -0.02 -0.05 -0.15 -0.04 2.98 2.72 2yt4A1 TYR 653 HD2 -0.07 0.05 -0.40 -0.04 7.15 6.70 2yt4A1 TYR 653 HE2 0.00 0.13 -0.28 -0.04 6.85 6.66 2yt4A1 VAL 654 H 0.12 0.40 0.27 -0.55 8.24 8.48 2yt4A1 VAL 654 HA 0.06 0.43 1.00 -0.75 4.13 4.87 2yt4A1 VAL 654 HB -0.01 -0.08 0.11 -0.04 2.12 2.10 2yt4A1 VAL 654 HG13 0.01 -0.00 -0.22 -0.04 0.97 0.72 2yt4A1 VAL 654 HG23 -0.10 -0.02 -0.26 -0.04 0.95 0.53 2yt4A1 MET 655 H 0.14 0.67 0.35 -0.55 8.47 9.08 2yt4A1 MET 655 HA 0.04 0.21 1.32 -0.75 4.52 5.34 2yt4A1 MET 655 HB2 0.00 -0.13 -0.04 -0.04 2.15 1.95 2yt4A1 MET 655 HB3 0.06 -0.02 0.08 -0.04 2.03 2.11 2yt4A1 MET 655 HG2 0.04 0.06 -0.29 -0.04 2.63 2.40 2yt4A1 MET 655 HG3 0.03 0.13 -0.09 -0.04 2.56 2.60 2yt4A1 MET 655 HE3 0.12 0.01 -0.15 -0.04 2.10 2.04 2yt4A1 ALA 656 H 0.04 0.81 0.46 -0.55 8.40 9.17 2yt4A1 ALA 656 HA 0.06 0.35 1.22 -0.75 4.34 5.22 2yt4A1 ALA 656 HB3 0.03 -0.03 0.04 -0.04 1.41 1.42 2yt4A1 CYS 657 H 0.08 0.79 0.17 -0.55 8.50 9.00 2yt4A1 CYS 657 HA 0.05 0.24 0.73 -0.75 4.58 4.85 2yt4A1 CYS 657 HB2 0.05 -0.02 -0.12 -0.04 2.97 2.83 2yt4A1 CYS 657 HB3 0.05 -0.02 0.01 -0.04 2.97 2.97 2yt4A1 GLY 658 H 0.04 0.25 0.19 -0.55 8.43 8.37 2yt4A1 GLY 658 HA2 0.03 -0.11 0.42 -0.51 4.01 3.84 2yt4A1 GLY 658 HA3 0.08 0.23 0.58 -0.51 4.01 4.39 2yt4A1 LYS 659 H -0.03 0.21 0.17 -0.55 8.42 8.22 2yt4A1 LYS 659 HA -0.07 0.05 0.41 -0.75 4.32 3.96 2yt4A1 LYS 659 HB2 -0.16 -0.02 0.17 -0.04 1.87 1.82 2yt4A1 LYS 659 HB3 -0.10 -0.03 0.12 -0.04 1.79 1.73 2yt4A1 LYS 659 HG2 -0.36 0.03 0.06 -0.04 1.46 1.15 2yt4A1 LYS 659 HG3 -0.75 0.02 -0.18 -0.04 1.46 0.51 2yt4A1 LYS 659 HD2 -0.15 -0.04 0.02 -0.04 1.69 1.48 2yt4A1 LYS 659 HD3 -0.09 -0.02 0.03 -0.04 1.68 1.55 2yt4A1 LYS 659 HE2 -0.01 0.08 0.01 -0.04 2.99 3.03 2yt4A1 LYS 659 HE3 -0.17 0.01 -0.01 -0.04 2.99 2.78 2yt4A1 HIS 660 H 0.10 0.32 -0.78 -0.55 8.41 7.50 2yt4A1 HIS 660 HA 0.01 0.17 1.02 -0.75 4.63 5.08 2yt4A1 HIS 660 HB2 0.01 0.07 0.07 -0.04 3.26 3.38 2yt4A1 HIS 660 HB3 0.02 -0.03 -0.08 -0.04 3.20 3.06 2yt4A1 HIS 660 HD2 -0.01 0.16 0.08 -0.04 6.97 7.15 2yt4A1 HIS 660 HE1 -0.02 0.12 -0.06 -0.04 7.75 7.74 2yt4A1 THR 661 H 0.07 0.29 0.18 -0.55 8.28 8.27 2yt4A1 THR 661 HA 0.06 0.26 1.00 -0.75 4.39 4.96 2yt4A1 THR 661 HB 0.03 0.01 -0.07 -0.04 4.32 4.25 2yt4A1 THR 661 HG23 0.02 0.00 0.03 -0.04 1.22 1.24 2yt4A1 VAL 662 H 0.07 0.76 0.33 -0.55 8.24 8.86 2yt4A1 VAL 662 HA 0.07 0.17 0.97 -0.75 4.13 4.58 2yt4A1 VAL 662 HB 0.10 0.09 0.03 -0.04 2.12 2.29 2yt4A1 VAL 662 HG13 0.20 -0.04 -0.19 -0.04 0.97 0.90 2yt4A1 VAL 662 HG23 0.09 0.01 -0.10 -0.04 0.95 0.90 2yt4A1 ARG 663 H 0.03 0.26 0.23 -0.55 8.46 8.43 2yt4A1 ARG 663 HA -0.20 0.24 1.01 -0.75 4.34 4.63 2yt4A1 ARG 663 HB2 -0.22 0.00 0.09 -0.04 1.90 1.73 2yt4A1 ARG 663 HB3 -0.13 0.06 0.13 -0.04 1.80 1.81 2yt4A1 ARG 663 HG2 0.00 -0.08 0.05 -0.04 1.67 1.61 2yt4A1 ARG 663 HG3 0.01 -0.00 0.00 -0.04 1.67 1.64 2yt4A1 ARG 663 HD2 -0.01 -0.01 -0.17 -0.04 3.22 2.98 2yt4A1 ARG 663 HD3 0.01 0.01 -0.06 -0.04 3.22 3.13 2yt4A1 GLY 664 H -1.33 0.36 0.32 -0.55 8.43 7.23 2yt4A1 GLY 664 HA2 -0.03 0.13 0.53 -0.51 4.01 4.14 2yt4A1 GLY 664 HA3 -0.39 0.03 0.37 -0.51 4.01 3.51 2yt4A1 TRP 665 H 0.22 0.22 0.21 -0.55 7.97 8.08 2yt4A1 TRP 665 HA -0.06 0.28 0.80 -0.75 4.62 4.88 2yt4A1 TRP 665 HB2 -0.03 -0.03 0.00 -0.04 3.23 3.13 2yt4A1 TRP 665 HB3 0.01 -0.01 -0.10 -0.04 3.23 3.09 2yt4A1 TRP 665 HD1 -0.01 -0.07 -0.44 -0.04 7.22 6.65 2yt4A1 TRP 665 HE1 -0.05 0.10 0.00 -0.04 10.20 10.22 2yt4A1 TRP 665 HE3 -0.13 -0.14 -0.33 -0.04 7.59 6.95 2yt4A1 TRP 665 HZ2 -0.06 0.00 -0.01 -0.04 7.44 7.33 2yt4A1 TRP 665 HZ3 -0.10 0.02 -0.10 -0.04 7.13 6.90 2yt4A1 TRP 665 HH2 -0.07 0.01 -0.04 -0.04 7.19 7.05 2yt4A1 CYS 666 H 0.17 0.54 0.22 -0.55 8.50 8.88 2yt4A1 CYS 666 HA 0.19 0.12 0.59 -0.75 4.58 4.73 2yt4A1 CYS 666 HB2 0.11 -0.18 0.08 -0.04 2.97 2.94 2yt4A1 CYS 666 HB3 0.23 0.13 -0.14 -0.04 2.97 3.14 2yt4A1 LYS 667 H 0.11 0.14 0.17 -0.55 8.42 8.28 2yt4A1 LYS 667 HA 0.12 0.22 0.67 -0.75 4.32 4.57 2yt4A1 LYS 667 HB2 0.07 -0.06 0.14 -0.04 1.87 1.98 2yt4A1 LYS 667 HB3 0.06 0.05 0.03 -0.04 1.79 1.89 2yt4A1 LYS 667 HG2 0.06 0.03 0.02 -0.04 1.46 1.53 2yt4A1 LYS 667 HG3 0.08 0.09 0.02 -0.04 1.46 1.60 2yt4A1 LYS 667 HD2 0.11 -0.05 -0.13 -0.04 1.69 1.57 2yt4A1 LYS 667 HD3 0.08 -0.03 0.02 -0.04 1.68 1.71 2yt4A1 LYS 667 HE2 0.05 0.02 -0.00 -0.04 2.99 3.01 2yt4A1 LYS 667 HE3 0.06 0.03 -0.03 -0.04 2.99 3.01 2yt4A1 ASN 668 H 0.09 0.02 -0.05 -0.55 8.53 8.03 2yt4A1 ASN 668 HA 0.12 0.19 0.45 -0.75 4.76 4.77 2yt4A1 ASN 668 HB2 0.00 0.06 0.12 -0.04 2.88 3.02 2yt4A1 ASN 668 HB3 0.04 0.18 -0.33 -0.04 2.79 2.64 2yt4A1 ASN 668 HD21 0.02 0.03 -0.01 -0.04 7.03 7.02 2yt4A1 ASN 668 HD22 0.03 0.11 -0.08 -0.04 7.74 7.75 2yt4A1 LYS 669 H -0.18 0.29 0.09 -0.55 8.42 8.06 2yt4A1 LYS 669 HA -0.30 0.06 0.32 -0.75 4.32 3.65 2yt4A1 LYS 669 HB2 -2.46 0.06 0.09 -0.04 1.87 -0.48 2yt4A1 LYS 669 HB3 -0.72 0.01 0.13 -0.04 1.79 1.17 2yt4A1 LYS 669 HG2 -0.38 0.01 -0.49 -0.04 1.46 0.56 2yt4A1 LYS 669 HG3 -0.60 0.03 -0.07 -0.04 1.46 0.78 2yt4A1 LYS 669 HD2 -0.48 0.03 -0.01 -0.04 1.69 1.19 2yt4A1 LYS 669 HD3 -0.28 -0.03 -0.05 -0.04 1.68 1.28 2yt4A1 LYS 669 HE2 -0.15 0.03 -0.03 -0.04 2.99 2.80 2yt4A1 LYS 669 HE3 -0.20 -0.00 -0.08 -0.04 2.99 2.67 2yt4A1 ARG 670 H -0.17 0.10 -0.31 -0.55 8.46 7.53 2yt4A1 ARG 670 HA -0.18 0.09 0.35 -0.75 4.34 3.85 2yt4A1 ARG 670 HB2 -0.08 0.03 0.07 -0.04 1.90 1.88 2yt4A1 ARG 670 HB3 -0.05 -0.02 0.04 -0.04 1.80 1.73 2yt4A1 ARG 670 HG2 0.01 -0.01 -0.21 -0.04 1.67 1.41 2yt4A1 ARG 670 HG3 -0.04 0.01 0.04 -0.04 1.67 1.64 2yt4A1 ARG 670 HD2 0.01 0.03 -0.01 -0.04 3.22 3.20 2yt4A1 ARG 670 HD3 0.02 -0.00 -0.03 -0.04 3.22 3.17 2yt4A1 VAL 671 H -0.07 0.38 -0.06 -0.55 8.24 7.94 2yt4A1 VAL 671 HA -0.18 0.14 0.70 -0.75 4.13 4.04 2yt4A1 VAL 671 HB -0.00 -0.03 0.13 -0.04 2.12 2.17 2yt4A1 VAL 671 HG13 0.02 0.00 0.03 -0.04 0.97 0.98 2yt4A1 VAL 671 HG23 0.05 0.01 0.01 -0.04 0.95 0.99 2yt4A1 GLY 672 H -0.11 0.37 -0.07 -0.55 8.43 8.09 2yt4A1 GLY 672 HA2 -0.21 0.07 0.36 -0.51 4.01 3.71 2yt4A1 GLY 672 HA3 -0.21 0.08 0.18 -0.51 4.01 3.56 2yt4A1 LYS 673 H -0.30 0.44 -0.35 -0.55 8.42 7.65 2yt4A1 LYS 673 HA -0.41 0.05 0.29 -0.75 4.32 3.50 2yt4A1 LYS 673 HB2 -0.36 0.08 0.04 -0.04 1.87 1.60 2yt4A1 LYS 673 HB3 -0.40 0.09 0.02 -0.04 1.79 1.45 2yt4A1 LYS 673 HG2 -0.88 -0.04 -0.10 -0.04 1.46 0.39 2yt4A1 LYS 673 HG3 -0.60 0.01 -0.04 -0.04 1.46 0.79 2yt4A1 LYS 673 HD2 -0.58 -0.02 -0.07 -0.04 1.69 0.97 2yt4A1 LYS 673 HD3 -1.67 0.02 -0.06 -0.04 1.68 -0.08 2yt4A1 LYS 673 HE2 -0.30 0.01 -0.05 -0.04 2.99 2.61 2yt4A1 LYS 673 HE3 -0.30 0.02 -0.05 -0.04 2.99 2.63 2yt4A1 GLN 674 H -0.37 0.27 -0.27 -0.55 8.47 7.56 2yt4A1 GLN 674 HA -0.25 -0.03 0.47 -0.75 4.36 3.80 2yt4A1 GLN 674 HB2 -0.42 0.13 0.18 -0.04 2.15 1.99 2yt4A1 GLN 674 HB3 -0.39 -0.03 0.07 -0.04 2.02 1.62 2yt4A1 GLN 674 HG2 -0.76 0.20 0.16 -0.04 2.40 1.95 2yt4A1 GLN 674 HG3 -2.30 -0.01 0.09 -0.04 2.39 0.13 2yt4A1 GLN 674 HE21 -0.09 -0.04 -0.02 -0.04 6.97 6.78 2yt4A1 GLN 674 HE22 -0.36 0.14 0.02 -0.04 7.69 7.45 2yt4A1 LEU 675 H -0.22 0.47 -0.08 -0.55 8.37 7.99 2yt4A1 LEU 675 HA -0.05 0.04 0.36 -0.75 4.35 3.95 2yt4A1 LEU 675 HB2 -0.20 0.07 0.15 -0.04 1.64 1.63 2yt4A1 LEU 675 HB3 0.03 0.01 0.02 -0.04 1.64 1.65 2yt4A1 LEU 675 HG -0.10 0.39 0.11 -0.04 1.64 1.99 2yt4A1 LEU 675 HD13 0.07 -0.03 0.00 -0.04 0.93 0.94 2yt4A1 LEU 675 HD23 -0.01 -0.02 0.02 -0.04 0.89 0.84 2yt4A1 ALA 676 H -0.41 0.73 -0.11 -0.55 8.40 8.06 2yt4A1 ALA 676 HA 0.01 -0.00 0.28 -0.75 4.34 3.87 2yt4A1 ALA 676 HB3 -0.36 0.01 -0.03 -0.04 1.41 0.99 2yt4A1 SER 677 H -0.14 0.40 -0.43 -0.55 8.46 7.74 2yt4A1 SER 677 HA 0.02 0.02 0.27 -0.75 4.49 4.05 2yt4A1 SER 677 HB2 0.00 0.05 -0.05 -0.04 3.95 3.91 2yt4A1 SER 677 HB3 0.07 0.07 -0.32 -0.04 3.93 3.70 2yt4A1 GLN 678 H 0.01 0.57 -0.19 -0.55 8.47 8.32 2yt4A1 GLN 678 HA 0.26 -0.00 0.36 -0.75 4.36 4.22 2yt4A1 GLN 678 HB2 0.05 0.17 0.22 -0.04 2.15 2.55 2yt4A1 GLN 678 HB3 0.13 0.09 0.04 -0.04 2.02 2.24 2yt4A1 GLN 678 HG2 0.07 -0.05 0.06 -0.04 2.40 2.44 2yt4A1 GLN 678 HG3 -0.02 0.24 0.04 -0.04 2.39 2.61 2yt4A1 GLN 678 HE21 -0.06 -0.03 -0.12 -0.04 6.97 6.73 2yt4A1 GLN 678 HE22 -0.08 -0.07 -0.34 -0.04 7.69 7.16 2yt4A1 LYS 679 H 0.06 0.46 -0.14 -0.55 8.42 8.25 2yt4A1 LYS 679 HA 0.08 -0.02 0.31 -0.75 4.32 3.94 2yt4A1 LYS 679 HB2 0.08 0.11 0.11 -0.04 1.87 2.13 2yt4A1 LYS 679 HB3 0.08 -0.02 -0.00 -0.04 1.79 1.80 2yt4A1 LYS 679 HG2 0.09 -0.04 0.00 -0.04 1.46 1.47 2yt4A1 LYS 679 HG3 0.09 0.23 -0.00 -0.04 1.46 1.73 2yt4A1 LYS 679 HD2 0.21 -0.06 -0.13 -0.04 1.69 1.67 2yt4A1 LYS 679 HD3 0.12 0.02 -0.03 -0.04 1.68 1.75 2yt4A1 LYS 679 HE2 0.13 0.00 -0.03 -0.04 2.99 3.05 2yt4A1 LYS 679 HE3 0.21 -0.06 -0.14 -0.04 2.99 2.96 2yt4A1 ILE 680 H 0.03 0.56 -0.11 -0.55 8.25 8.18 2yt4A1 ILE 680 HA -0.08 -0.01 0.30 -0.75 4.18 3.64 2yt4A1 ILE 680 HB 0.01 0.10 0.06 -0.04 1.89 2.01 2yt4A1 ILE 680 HG12 0.03 0.15 0.01 -0.04 1.49 1.64 2yt4A1 ILE 680 HG13 0.03 -0.08 -0.17 -0.04 1.21 0.95 2yt4A1 ILE 680 HG23 -0.07 -0.00 -0.17 -0.04 0.93 0.65 2yt4A1 ILE 680 HD13 0.04 0.01 -0.18 -0.04 0.88 0.72 2yt4A1 LEU 681 H 0.05 0.70 -0.21 -0.55 8.37 8.37 2yt4A1 LEU 681 HA 0.09 0.01 0.35 -0.75 4.35 4.04 2yt4A1 LEU 681 HB2 0.11 0.17 0.15 -0.04 1.64 2.04 2yt4A1 LEU 681 HB3 0.05 -0.02 -0.07 -0.04 1.64 1.56 2yt4A1 LEU 681 HG -0.22 -0.04 -0.09 -0.04 1.64 1.25 2yt4A1 LEU 681 HD13 0.03 0.00 -0.11 -0.04 0.93 0.81 2yt4A1 LEU 681 HD23 0.09 -0.03 -0.14 -0.04 0.89 0.78 2yt4A1 GLN 682 H 0.09 0.59 -0.15 -0.55 8.47 8.45 2yt4A1 GLN 682 HA 0.10 0.06 0.33 -0.75 4.36 4.09 2yt4A1 GLN 682 HB2 0.11 -0.11 0.02 -0.04 2.15 2.13 2yt4A1 GLN 682 HB3 0.06 0.12 0.14 -0.04 2.02 2.30 2yt4A1 GLN 682 HG2 0.07 -0.12 -0.05 -0.04 2.40 2.26 2yt4A1 GLN 682 HG3 0.04 0.05 -0.29 -0.04 2.39 2.15 2yt4A1 GLN 682 HE21 0.07 0.48 0.14 -0.04 6.97 7.61 2yt4A1 GLN 682 HE22 0.05 -0.03 -0.05 -0.04 7.69 7.62 2yt4A1 LEU 683 H -0.02 0.73 -0.02 -0.55 8.37 8.51 2yt4A1 LEU 683 HA -0.03 -0.03 0.37 -0.75 4.35 3.91 2yt4A1 LEU 683 HB2 -0.20 0.05 0.14 -0.04 1.64 1.59 2yt4A1 LEU 683 HB3 -0.58 -0.02 -0.05 -0.04 1.64 0.95 2yt4A1 LEU 683 HG 0.12 -0.07 -0.06 -0.04 1.64 1.59 2yt4A1 LEU 683 HD13 0.16 -0.01 0.02 -0.04 0.93 1.06 2yt4A1 LEU 683 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.78 2yt4A1 LEU 684 H -0.15 0.54 -0.37 -0.55 8.37 7.85 2yt4A1 LEU 684 HA -0.24 0.00 0.49 -0.75 4.35 3.86 2yt4A1 LEU 684 HB2 -0.24 0.08 0.13 -0.04 1.64 1.57 2yt4A1 LEU 684 HB3 -0.53 -0.07 -0.00 -0.04 1.64 0.99 2yt4A1 LEU 684 HG -0.28 0.10 -0.03 -0.04 1.64 1.39 2yt4A1 LEU 684 HD13 -0.10 -0.04 -0.12 -0.04 0.93 0.62 2yt4A1 LEU 684 HD23 -0.13 -0.01 -0.03 -0.04 0.89 0.68 2yt4A1 HIS 685 H 0.05 0.45 -0.26 -0.55 8.41 8.10 2yt4A1 HIS 685 HA 0.08 0.15 0.81 -0.75 4.63 4.92 2yt4A1 HIS 685 HB2 0.01 -0.03 0.19 -0.04 3.26 3.39 2yt4A1 HIS 685 HB3 0.13 -0.10 0.09 -0.04 3.20 3.28 2yt4A1 HIS 685 HD2 -0.14 0.00 -0.09 -0.04 6.97 6.70 2yt4A1 HIS 685 HE1 -0.08 -0.09 -0.05 -0.04 7.75 7.49 2yt4A1 PRO 686 HA -0.08 0.10 0.37 -0.51 4.44 4.32 2yt4A1 PRO 686 HB2 -0.46 -0.05 -0.01 -0.04 2.28 1.72 2yt4A1 PRO 686 HB3 -0.14 0.05 0.12 -0.04 2.02 2.01 2yt4A1 PRO 686 HG2 -0.59 -0.08 -0.07 -0.04 2.03 1.26 2yt4A1 PRO 686 HG3 -0.18 0.00 0.02 -0.04 2.03 1.83 2yt4A1 PRO 686 HD2 -0.08 0.23 -0.19 -0.04 3.68 3.61 2yt4A1 PRO 686 HD3 -0.10 0.48 -0.32 -0.04 3.65 3.68 2yt4A1 HIS 687 H -0.10 0.09 -0.57 -0.55 8.41 7.28 2yt4A1 HIS 687 HA 0.01 0.22 0.91 -0.75 4.63 5.01 2yt4A1 HIS 687 HB2 -0.05 -0.03 -0.02 -0.04 3.26 3.13 2yt4A1 HIS 687 HB3 -0.05 0.01 0.13 -0.04 3.20 3.25 2yt4A1 HIS 687 HD2 -0.07 -0.03 -0.13 -0.04 6.97 6.70 2yt4A1 HIS 687 HE1 -0.02 -0.02 -0.07 -0.04 7.75 7.61 2yt4A1 VAL 688 H 0.08 0.66 -0.03 -0.55 8.24 8.40 2yt4A1 VAL 688 HA 0.08 0.10 0.93 -0.75 4.13 4.49 2yt4A1 VAL 688 HB 0.08 0.17 0.15 -0.04 2.12 2.48 2yt4A1 VAL 688 HG13 -0.02 -0.04 -0.13 -0.04 0.97 0.73 2yt4A1 VAL 688 HG23 0.18 -0.02 -0.13 -0.04 0.95 0.94 2yt4A1 LYS 689 H 0.07 0.14 0.13 -0.55 8.42 8.20 2yt4A1 LYS 689 HA 0.08 0.18 0.77 -0.75 4.32 4.61 2yt4A1 LYS 689 HB2 0.08 0.05 0.04 -0.04 1.87 1.99 2yt4A1 LYS 689 HB3 0.08 0.05 0.16 -0.04 1.79 2.03 2yt4A1 LYS 689 HG2 0.09 -0.00 -0.17 -0.04 1.46 1.34 2yt4A1 LYS 689 HG3 0.10 -0.13 -0.50 -0.04 1.46 0.89 2yt4A1 LYS 689 HD2 0.09 -0.01 -0.04 -0.04 1.69 1.68 2yt4A1 LYS 689 HD3 0.09 0.04 0.01 -0.04 1.68 1.77 2yt4A1 LYS 689 HE2 0.10 0.05 -0.04 -0.04 2.99 3.07 2yt4A1 LYS 689 HE3 0.11 0.03 -0.03 -0.04 2.99 3.06 2yt4A1 ASN 690 H 0.07 0.11 0.13 -0.55 8.53 8.29 2yt4A1 ASN 690 HA 0.16 0.37 0.72 -0.75 4.76 5.25 2yt4A1 ASN 690 HB2 0.10 -0.01 0.07 -0.04 2.88 3.00 2yt4A1 ASN 690 HB3 0.07 0.05 -0.11 -0.04 2.79 2.76 2yt4A1 ASN 690 HD21 0.01 0.08 0.14 -0.04 7.03 7.21 2yt4A1 ASN 690 HD22 0.03 0.01 0.15 -0.04 7.74 7.88 2yt4A1 TRP 691 H 0.36 0.61 0.29 -0.55 7.97 8.68 2yt4A1 TRP 691 HA -0.02 0.07 0.41 -0.75 4.62 4.32 2yt4A1 TRP 691 HB2 0.07 0.11 0.05 -0.04 3.23 3.42 2yt4A1 TRP 691 HB3 0.12 0.00 0.10 -0.04 3.23 3.41 2yt4A1 TRP 691 HD1 -0.50 -0.03 -0.12 -0.04 7.22 6.53 2yt4A1 TRP 691 HE1 -0.26 0.05 -0.08 -0.04 10.20 9.87 2yt4A1 TRP 691 HE3 0.01 -0.03 0.08 -0.04 7.59 7.61 2yt4A1 TRP 691 HZ2 -0.06 0.01 -0.18 -0.04 7.44 7.17 2yt4A1 TRP 691 HZ3 -0.00 0.11 0.07 -0.04 7.13 7.27 2yt4A1 TRP 691 HH2 -0.03 -0.06 -0.02 -0.04 7.19 7.03 2yt4A1 GLY 692 H 0.15 0.35 -0.31 -0.55 8.43 8.07 2yt4A1 GLY 692 HA2 0.03 0.01 0.28 -0.51 4.01 3.83 2yt4A1 GLY 692 HA3 0.04 0.06 0.02 -0.51 4.01 3.62 2yt4A1 SER 693 H -0.07 0.30 -0.31 -0.55 8.46 7.83 2yt4A1 SER 693 HA -0.11 0.25 0.52 -0.75 4.49 4.39 2yt4A1 SER 693 HB2 -0.10 0.03 0.06 -0.04 3.95 3.90 2yt4A1 SER 693 HB3 -0.07 0.07 0.04 -0.04 3.93 3.93 2yt4A1 LEU 694 H -0.38 0.18 -0.26 -0.55 8.37 7.36 2yt4A1 LEU 694 HA -0.48 0.13 0.43 -0.75 4.35 3.68 2yt4A1 LEU 694 HB2 -1.06 0.07 0.13 -0.04 1.64 0.74 2yt4A1 LEU 694 HB3 -0.93 -0.04 -0.09 -0.04 1.64 0.53 2yt4A1 LEU 694 HG -0.53 0.01 -0.04 -0.04 1.64 1.04 2yt4A1 LEU 694 HD13 -0.61 0.04 -0.10 -0.04 0.93 0.21 2yt4A1 LEU 694 HD23 -0.99 -0.01 -0.07 -0.04 0.89 -0.22 2yt4A1 LEU 695 H -0.37 0.41 -0.23 -0.55 8.37 7.63 2yt4A1 LEU 695 HA -0.20 0.04 0.37 -0.75 4.35 3.81 2yt4A1 LEU 695 HB2 -0.14 0.14 0.12 -0.04 1.64 1.71 2yt4A1 LEU 695 HB3 -0.11 -0.06 -0.04 -0.04 1.64 1.39 2yt4A1 LEU 695 HG -0.19 0.11 -0.03 -0.04 1.64 1.49 2yt4A1 LEU 695 HD13 -0.41 -0.03 -0.06 -0.04 0.93 0.40 2yt4A1 LEU 695 HD23 -0.10 -0.00 -0.03 -0.04 0.89 0.71 2yt4A1 ARG 696 H -0.19 0.46 -0.33 -0.55 8.46 7.85 2yt4A1 ARG 696 HA -0.11 -0.08 0.57 -0.75 4.34 3.98 2yt4A1 ARG 696 HB2 -0.13 0.19 0.09 -0.04 1.90 2.01 2yt4A1 ARG 696 HB3 -0.09 -0.06 0.08 -0.04 1.80 1.70 2yt4A1 ARG 696 HG2 -0.05 -0.15 -0.04 -0.04 1.67 1.39 2yt4A1 ARG 696 HG3 -0.08 0.36 0.09 -0.04 1.67 2.00 2yt4A1 ARG 696 HD2 -0.05 0.21 0.02 -0.04 3.22 3.35 2yt4A1 ARG 696 HD3 -0.02 -0.13 -0.02 -0.04 3.22 3.00 2yt4A1 MET 697 H -0.35 0.21 -0.60 -0.55 8.47 7.18 2yt4A1 MET 697 HA -0.38 0.14 0.73 -0.75 4.52 4.26 2yt4A1 MET 697 HB2 -0.85 0.02 0.18 -0.04 2.15 1.45 2yt4A1 MET 697 HB3 -1.61 0.02 -0.08 -0.04 2.03 0.32 2yt4A1 MET 697 HG2 -0.49 -0.00 -0.00 -0.04 2.63 2.10 2yt4A1 MET 697 HG3 -0.38 0.07 -0.05 -0.04 2.56 2.16 2yt4A1 MET 697 HE3 -0.44 0.00 -0.20 -0.04 2.10 1.42 2yt4A1 TYR 698 H -0.34 0.59 0.07 -0.55 8.29 8.07 2yt4A1 TYR 698 HA -0.11 0.22 0.74 -0.75 4.56 4.65 2yt4A1 TYR 698 HB2 -0.18 -0.04 -0.02 -0.04 3.06 2.79 2yt4A1 TYR 698 HB3 -0.11 -0.06 0.09 -0.04 2.98 2.86 2yt4A1 TYR 698 HD2 -0.22 0.00 -0.12 -0.04 7.15 6.77 2yt4A1 TYR 698 HE2 -0.26 0.03 -0.09 -0.04 6.85 6.49 2yt4A1 GLY 699 H -0.11 0.22 -0.24 -0.55 8.43 7.76 2yt4A1 GLY 699 HA2 -0.02 0.05 0.78 -0.51 4.01 4.32 2yt4A1 GLY 699 HA3 -0.06 0.02 0.43 -0.51 4.01 3.89 2yt4A1 ARG 700 H -0.06 0.26 0.09 -0.55 8.46 8.19 2yt4A1 ARG 700 HA -0.02 0.07 0.46 -0.75 4.34 4.10 2yt4A1 ARG 700 HB2 -0.03 -0.04 0.07 -0.04 1.90 1.87 2yt4A1 ARG 700 HB3 -0.05 -0.02 0.17 -0.04 1.80 1.87 2yt4A1 ARG 700 HG2 -0.03 0.10 -0.31 -0.04 1.67 1.40 2yt4A1 ARG 700 HG3 -0.01 -0.03 -0.06 -0.04 1.67 1.53 2yt4A1 ARG 700 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.11 2yt4A1 ARG 700 HD3 -0.03 0.02 0.01 -0.04 3.22 3.18 2yt4A1 GLU 701 H -0.07 0.16 -0.10 -0.55 8.60 8.04 2yt4A1 GLU 701 HA -0.04 -0.03 0.09 -0.75 4.29 3.56 2yt4A1 GLU 701 HB2 -0.08 -0.07 0.10 -0.04 2.09 2.00 2yt4A1 GLU 701 HB3 -0.13 0.21 0.01 -0.04 1.99 2.04 2yt4A1 GLU 701 HG2 -0.09 0.08 0.05 -0.04 2.34 2.35 2yt4A1 GLU 701 HG3 -0.05 -0.12 0.05 -0.04 2.34 2.17