============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 9 1.000 -5.446 3.527 11.518 -99.200 -91.000 PHE 15 1.000 3.292 -10.114 13.339 -99.200 -91.000 PHE 17 1.000 2.917 -3.413 4.131 -99.200 -91.000 TRP 19 1.040 10.232 2.216 7.335 -99.200 -91.000 TRP6 19 1.020 10.909 3.802 5.725 -99.200 -91.000 PHE 26 1.000 -1.681 1.661 1.077 -99.200 -91.000 HIS 31 0.900 3.758 12.663 -3.844 -99.200 -91.000 TYR 34 0.840 3.167 9.714 8.731 -99.200 -91.000 PHE 52 1.000 -2.884 8.110 -0.772 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dh9A6 GLY 533 HA2 0.01 -0.04 0.14 -0.51 4.01 3.61 2dh9A6 GLY 533 HA3 0.01 -0.15 0.23 -0.51 4.01 3.59 2dh9A6 SER 534 H 0.01 0.01 0.08 -0.55 8.46 8.01 2dh9A6 SER 534 HA 0.01 -0.02 0.33 -0.75 4.49 4.06 2dh9A6 SER 534 HB2 0.02 0.00 0.04 -0.04 3.95 3.98 2dh9A6 SER 534 HB3 0.01 -0.04 0.13 -0.04 3.93 4.00 2dh9A6 SER 535 H 0.02 0.13 0.17 -0.55 8.46 8.23 2dh9A6 SER 535 HA 0.01 0.15 0.70 -0.75 4.49 4.60 2dh9A6 SER 535 HB2 0.01 -0.11 0.12 -0.04 3.95 3.93 2dh9A6 SER 535 HB3 0.01 0.25 -0.12 -0.04 3.93 4.03 2dh9A6 GLY 536 H 0.01 0.11 0.12 -0.55 8.43 8.13 2dh9A6 GLY 536 HA2 0.01 0.02 0.33 -0.51 4.01 3.86 2dh9A6 GLY 536 HA3 0.01 0.01 0.38 -0.51 4.01 3.89 2dh9A6 SER 537 H 0.02 0.16 0.19 -0.55 8.46 8.28 2dh9A6 SER 537 HA 0.05 0.17 0.95 -0.75 4.49 4.90 2dh9A6 SER 537 HB2 0.02 0.01 0.07 -0.04 3.95 4.02 2dh9A6 SER 537 HB3 0.06 -0.13 0.02 -0.04 3.93 3.83 2dh9A6 SER 538 H 0.08 0.11 0.09 -0.55 8.46 8.19 2dh9A6 SER 538 HA 0.06 0.10 0.37 -0.75 4.49 4.28 2dh9A6 SER 538 HB2 0.13 -0.14 0.13 -0.04 3.95 4.02 2dh9A6 SER 538 HB3 0.09 0.01 -0.07 -0.04 3.93 3.92 2dh9A6 GLY 539 H 0.16 -0.11 -0.01 -0.55 8.43 7.92 2dh9A6 GLY 539 HA2 0.14 0.13 0.44 -0.51 4.01 4.21 2dh9A6 GLY 539 HA3 0.11 0.09 0.25 -0.51 4.01 3.94 2dh9A6 ILE 540 H 0.21 0.40 0.27 -0.55 8.25 8.58 2dh9A6 ILE 540 HA 0.17 -0.15 0.69 -0.75 4.18 4.13 2dh9A6 ILE 540 HB 0.19 0.19 0.19 -0.04 1.89 2.41 2dh9A6 ILE 540 HG12 0.31 0.06 0.09 -0.04 1.49 1.90 2dh9A6 ILE 540 HG13 0.13 -0.06 -0.33 -0.04 1.21 0.91 2dh9A6 ILE 540 HG23 0.24 0.01 -0.04 -0.04 0.93 1.09 2dh9A6 ILE 540 HD13 0.46 -0.00 -0.13 -0.04 0.88 1.17 2dh9A6 PHE 541 H 0.22 0.60 0.40 -0.55 8.34 9.00 2dh9A6 PHE 541 HA 0.03 0.21 1.01 -0.75 4.62 5.12 2dh9A6 PHE 541 HB2 0.04 0.00 -0.14 -0.04 3.15 3.01 2dh9A6 PHE 541 HB3 0.03 -0.03 0.02 -0.04 3.06 3.04 2dh9A6 PHE 541 HD2 0.02 0.02 -0.09 -0.04 7.28 7.18 2dh9A6 PHE 541 HE2 0.02 -0.03 -0.01 -0.04 7.38 7.32 2dh9A6 PHE 541 HZ 0.02 -0.06 -0.04 -0.04 7.32 7.20 2dh9A6 VAL 542 H -0.35 0.54 0.34 -0.55 8.24 8.22 2dh9A6 VAL 542 HA 0.11 0.30 0.96 -0.75 4.13 4.74 2dh9A6 VAL 542 HB -0.12 -0.09 -0.10 -0.04 2.12 1.78 2dh9A6 VAL 542 HG13 0.03 0.03 -0.15 -0.04 0.97 0.84 2dh9A6 VAL 542 HG23 0.03 0.00 -0.27 -0.04 0.95 0.67 2dh9A6 ARG 543 H 0.05 0.17 0.20 -0.55 8.46 8.32 2dh9A6 ARG 543 HA 0.05 0.25 1.02 -0.75 4.34 4.91 2dh9A6 ARG 543 HB2 0.08 0.01 0.06 -0.04 1.90 2.02 2dh9A6 ARG 543 HB3 0.04 0.02 0.07 -0.04 1.80 1.89 2dh9A6 ARG 543 HG2 0.16 0.03 0.11 -0.04 1.67 1.93 2dh9A6 ARG 543 HG3 0.30 0.01 -0.25 -0.04 1.67 1.69 2dh9A6 ARG 543 HD2 0.04 -0.00 -0.03 -0.04 3.22 3.19 2dh9A6 ARG 543 HD3 0.04 -0.00 0.01 -0.04 3.22 3.23 2dh9A6 ASN 544 H -0.01 0.24 0.28 -0.55 8.53 8.50 2dh9A6 ASN 544 HA -0.07 0.01 0.39 -0.75 4.76 4.34 2dh9A6 ASN 544 HB2 -0.02 -0.15 -0.16 -0.04 2.88 2.51 2dh9A6 ASN 544 HB3 -0.04 0.27 0.57 -0.04 2.79 3.55 2dh9A6 ASN 544 HD21 -0.09 0.01 -0.05 -0.04 7.03 6.86 2dh9A6 ASN 544 HD22 -0.06 -0.11 0.00 -0.04 7.74 7.53 2dh9A6 LEU 545 H -0.11 0.35 0.22 -0.55 8.37 8.28 2dh9A6 LEU 545 HA -0.21 0.24 0.71 -0.75 4.35 4.34 2dh9A6 LEU 545 HB2 -0.15 -0.25 -0.24 -0.04 1.64 0.96 2dh9A6 LEU 545 HB3 -0.30 0.06 -0.19 -0.04 1.64 1.17 2dh9A6 LEU 545 HG -0.19 0.05 -0.50 -0.04 1.64 0.97 2dh9A6 LEU 545 HD13 -0.21 -0.02 -0.40 -0.04 0.93 0.25 2dh9A6 LEU 545 HD23 -0.67 0.00 -0.15 -0.04 0.89 0.04 2dh9A6 PRO 546 HA -0.23 0.07 0.40 -0.51 4.44 4.17 2dh9A6 PRO 546 HB2 0.05 -0.12 -0.09 -0.04 2.28 2.09 2dh9A6 PRO 546 HB3 -0.03 0.17 0.04 -0.04 2.02 2.17 2dh9A6 PRO 546 HG2 0.15 -0.11 0.02 -0.04 2.03 2.05 2dh9A6 PRO 546 HG3 0.02 0.16 0.02 -0.04 2.03 2.19 2dh9A6 PRO 546 HD2 -0.31 0.02 0.15 -0.04 3.68 3.50 2dh9A6 PRO 546 HD3 -0.13 0.31 0.19 -0.04 3.65 3.98 2dh9A6 PHE 547 H -0.40 0.17 0.15 -0.55 8.34 7.71 2dh9A6 PHE 547 HA 0.06 0.08 0.35 -0.75 4.62 4.35 2dh9A6 PHE 547 HB2 0.03 -0.10 0.16 -0.04 3.15 3.21 2dh9A6 PHE 547 HB3 0.04 0.03 0.04 -0.04 3.06 3.12 2dh9A6 PHE 547 HD2 0.03 -0.04 0.09 -0.04 7.28 7.31 2dh9A6 PHE 547 HE2 0.02 0.12 0.06 -0.04 7.38 7.54 2dh9A6 PHE 547 HZ 0.02 0.01 0.02 -0.04 7.32 7.33 2dh9A6 ASP 548 H 0.22 0.07 -0.11 -0.55 8.40 8.03 2dh9A6 ASP 548 HA 0.09 0.02 0.26 -0.75 4.63 4.24 2dh9A6 ASP 548 HB2 0.05 -0.00 -0.07 -0.04 2.71 2.65 2dh9A6 ASP 548 HB3 0.08 0.01 0.06 -0.04 2.70 2.81 2dh9A6 PHE 549 H 0.22 0.22 -0.97 -0.55 8.34 7.26 2dh9A6 PHE 549 HA -0.02 -0.14 0.36 -0.75 4.62 4.06 2dh9A6 PHE 549 HB2 -0.01 0.07 0.05 -0.04 3.15 3.21 2dh9A6 PHE 549 HB3 -0.01 -0.02 -0.06 -0.04 3.06 2.92 2dh9A6 PHE 549 HD2 -0.02 -0.01 -0.21 -0.04 7.28 7.00 2dh9A6 PHE 549 HE2 -0.02 -0.02 -0.13 -0.04 7.38 7.16 2dh9A6 PHE 549 HZ 0.10 0.06 -0.34 -0.04 7.32 7.10 2dh9A6 THR 550 H -0.49 0.04 0.25 -0.55 8.28 7.52 2dh9A6 THR 550 HA 0.02 0.29 0.95 -0.75 4.39 4.90 2dh9A6 THR 550 HB -0.23 -0.09 0.13 -0.04 4.32 4.09 2dh9A6 THR 550 HG23 -0.05 0.09 -0.10 -0.04 1.22 1.12 2dh9A6 TRP 551 H 0.24 0.25 0.14 -0.55 7.97 8.06 2dh9A6 TRP 551 HA -0.07 0.04 0.21 -0.75 4.62 4.04 2dh9A6 TRP 551 HB2 -0.11 0.17 0.00 -0.04 3.23 3.25 2dh9A6 TRP 551 HB3 -0.06 -0.01 0.16 -0.04 3.23 3.28 2dh9A6 TRP 551 HD1 -0.04 0.04 0.11 -0.04 7.22 7.29 2dh9A6 TRP 551 HE1 -0.04 0.06 0.03 -0.04 10.20 10.21 2dh9A6 TRP 551 HE3 -0.11 0.04 -0.26 -0.04 7.59 7.23 2dh9A6 TRP 551 HZ2 -0.04 0.03 0.01 -0.04 7.44 7.40 2dh9A6 TRP 551 HZ3 -0.06 0.04 -0.05 -0.04 7.13 7.02 2dh9A6 TRP 551 HH2 -0.04 0.03 -0.01 -0.04 7.19 7.14 2dh9A6 LYS 552 H -1.69 0.07 -0.35 -0.55 8.42 5.89 2dh9A6 LYS 552 HA -1.00 0.09 0.34 -0.75 4.32 2.99 2dh9A6 LYS 552 HB2 -0.99 -0.04 0.05 -0.04 1.87 0.85 2dh9A6 LYS 552 HB3 -0.65 0.05 -0.06 -0.04 1.79 1.09 2dh9A6 LYS 552 HG2 -0.95 0.04 0.03 -0.04 1.46 0.54 2dh9A6 LYS 552 HG3 -3.60 -0.03 0.02 -0.04 1.46 -2.18 2dh9A6 LYS 552 HD2 -0.34 0.03 0.01 -0.04 1.69 1.35 2dh9A6 LYS 552 HD3 -0.63 -0.02 0.01 -0.04 1.68 1.00 2dh9A6 LYS 552 HE2 -0.31 0.01 -0.01 -0.04 2.99 2.64 2dh9A6 LYS 552 HE3 -0.18 0.03 -0.00 -0.04 2.99 2.80 2dh9A6 MET 553 H -0.60 0.22 -0.18 -0.55 8.47 7.36 2dh9A6 MET 553 HA -0.36 0.00 0.39 -0.75 4.52 3.79 2dh9A6 MET 553 HB2 -1.83 0.09 0.13 -0.04 2.15 0.50 2dh9A6 MET 553 HB3 -1.21 0.03 -0.01 -0.04 2.03 0.80 2dh9A6 MET 553 HG2 -0.54 -0.06 0.11 -0.04 2.63 2.10 2dh9A6 MET 553 HG3 -0.72 -0.08 0.13 -0.04 2.56 1.84 2dh9A6 MET 553 HE3 -0.20 0.02 -0.04 -0.04 2.10 1.83 2dh9A6 LEU 554 H -0.24 0.34 -0.20 -0.55 8.37 7.72 2dh9A6 LEU 554 HA 0.32 0.01 0.20 -0.75 4.35 4.12 2dh9A6 LEU 554 HB2 0.23 -0.04 -0.10 -0.04 1.64 1.68 2dh9A6 LEU 554 HB3 -0.04 0.12 -0.05 -0.04 1.64 1.64 2dh9A6 LEU 554 HG -0.42 0.04 -0.20 -0.04 1.64 1.02 2dh9A6 LEU 554 HD13 -0.31 -0.01 -0.18 -0.04 0.93 0.39 2dh9A6 LEU 554 HD23 -0.20 -0.06 -0.12 -0.04 0.89 0.47 2dh9A6 LYS 555 H -0.10 0.36 -0.49 -0.55 8.42 7.64 2dh9A6 LYS 555 HA -0.07 0.06 0.43 -0.75 4.32 3.98 2dh9A6 LYS 555 HB2 -0.01 -0.03 -0.02 -0.04 1.87 1.77 2dh9A6 LYS 555 HB3 -0.07 0.08 0.17 -0.04 1.79 1.92 2dh9A6 LYS 555 HG2 -0.03 0.02 -0.36 -0.04 1.46 1.06 2dh9A6 LYS 555 HG3 -0.01 -0.02 -0.14 -0.04 1.46 1.25 2dh9A6 LYS 555 HD2 0.09 -0.02 -0.05 -0.04 1.69 1.67 2dh9A6 LYS 555 HD3 -0.03 -0.02 -0.02 -0.04 1.68 1.56 2dh9A6 LYS 555 HE2 -0.02 -0.00 -0.05 -0.04 2.99 2.88 2dh9A6 LYS 555 HE3 0.02 0.05 -0.10 -0.04 2.99 2.92 2dh9A6 ASP 556 H -0.11 0.56 0.15 -0.55 8.40 8.45 2dh9A6 ASP 556 HA -0.02 0.02 0.37 -0.75 4.63 4.25 2dh9A6 ASP 556 HB2 -0.11 -0.02 0.11 -0.04 2.71 2.65 2dh9A6 ASP 556 HB3 -0.13 -0.01 0.17 -0.04 2.70 2.69 2dh9A6 LYS 557 H 0.01 0.44 0.04 -0.55 8.42 8.35 2dh9A6 LYS 557 HA 0.07 -0.02 0.31 -0.75 4.32 3.93 2dh9A6 LYS 557 HB2 0.18 -0.11 0.01 -0.04 1.87 1.92 2dh9A6 LYS 557 HB3 0.43 0.15 -0.08 -0.04 1.79 2.25 2dh9A6 LYS 557 HG2 0.40 -0.04 -0.13 -0.04 1.46 1.64 2dh9A6 LYS 557 HG3 0.19 0.04 -0.38 -0.04 1.46 1.27 2dh9A6 LYS 557 HD2 0.00 0.02 -0.09 -0.04 1.69 1.58 2dh9A6 LYS 557 HD3 0.06 -0.01 0.04 -0.04 1.68 1.74 2dh9A6 LYS 557 HE2 0.17 -0.04 -0.05 -0.04 2.99 3.04 2dh9A6 LYS 557 HE3 0.13 0.00 -0.07 -0.04 2.99 3.01 2dh9A6 PHE 558 H 0.48 0.39 -0.39 -0.55 8.34 8.27 2dh9A6 PHE 558 HA 0.11 -0.02 0.54 -0.75 4.62 4.49 2dh9A6 PHE 558 HB2 0.04 0.31 0.19 -0.04 3.15 3.64 2dh9A6 PHE 558 HB3 0.20 -0.11 0.05 -0.04 3.06 3.16 2dh9A6 PHE 558 HD2 0.23 -0.05 -0.04 -0.04 7.28 7.39 2dh9A6 PHE 558 HE2 0.08 -0.04 -0.11 -0.04 7.38 7.27 2dh9A6 PHE 558 HZ -0.00 -0.03 -0.12 -0.04 7.32 7.12 2dh9A6 ASN 559 H 0.15 0.45 -0.23 -0.55 8.53 8.35 2dh9A6 ASN 559 HA 0.10 0.05 0.44 -0.75 4.76 4.60 2dh9A6 ASN 559 HB2 0.02 -0.01 0.05 -0.04 2.88 2.90 2dh9A6 ASN 559 HB3 0.02 0.04 0.11 -0.04 2.79 2.91 2dh9A6 ASN 559 HD21 -0.02 0.00 -0.06 -0.04 7.03 6.91 2dh9A6 ASN 559 HD22 -0.05 -0.06 -0.02 -0.04 7.74 7.57 2dh9A6 GLU 560 H 0.07 0.33 -0.59 -0.55 8.60 7.87 2dh9A6 GLU 560 HA 0.03 0.02 0.41 -0.75 4.29 3.98 2dh9A6 GLU 560 HB2 0.01 0.13 0.12 -0.04 2.09 2.31 2dh9A6 GLU 560 HB3 0.00 -0.05 -0.03 -0.04 1.99 1.87 2dh9A6 GLU 560 HG2 0.00 -0.06 -0.02 -0.04 2.34 2.23 2dh9A6 GLU 560 HG3 0.02 0.07 -0.03 -0.04 2.34 2.35 2dh9A6 CYS 561 H 0.06 0.21 -0.08 -0.55 8.50 8.14 2dh9A6 CYS 561 HA -0.00 0.01 0.42 -0.75 4.58 4.25 2dh9A6 CYS 561 HB2 0.10 0.10 0.18 -0.04 2.97 3.32 2dh9A6 CYS 561 HB3 -0.06 -0.09 0.01 -0.04 2.97 2.79 2dh9A6 GLY 562 H 0.26 0.52 -0.03 -0.55 8.43 8.64 2dh9A6 GLY 562 HA2 0.13 0.13 0.53 -0.51 4.01 4.29 2dh9A6 GLY 562 HA3 0.19 -0.12 0.24 -0.51 4.01 3.81 2dh9A6 HIS 563 H 0.29 0.03 0.13 -0.55 8.41 8.32 2dh9A6 HIS 563 HA 0.10 0.13 0.50 -0.75 4.63 4.60 2dh9A6 HIS 563 HB2 0.08 0.04 0.13 -0.04 3.26 3.48 2dh9A6 HIS 563 HB3 0.12 -0.17 0.17 -0.04 3.20 3.28 2dh9A6 HIS 563 HD2 0.05 -0.01 0.01 -0.04 6.97 6.97 2dh9A6 HIS 563 HE1 0.03 0.04 -0.05 -0.04 7.75 7.72 2dh9A6 VAL 564 H -0.01 0.17 0.24 -0.55 8.24 8.08 2dh9A6 VAL 564 HA -0.18 0.26 0.83 -0.75 4.13 4.28 2dh9A6 VAL 564 HB -0.03 -0.04 0.09 -0.04 2.12 2.10 2dh9A6 VAL 564 HG13 -0.11 -0.04 -0.18 -0.04 0.97 0.60 2dh9A6 VAL 564 HG23 -0.09 0.05 -0.10 -0.04 0.95 0.77 2dh9A6 LEU 565 H -0.06 0.36 0.18 -0.55 8.37 8.30 2dh9A6 LEU 565 HA 0.14 0.21 0.84 -0.75 4.35 4.79 2dh9A6 LEU 565 HB2 0.04 -0.09 -0.09 -0.04 1.64 1.47 2dh9A6 LEU 565 HB3 0.06 0.01 -0.06 -0.04 1.64 1.60 2dh9A6 LEU 565 HG 0.05 -0.02 -0.43 -0.04 1.64 1.20 2dh9A6 LEU 565 HD13 0.01 0.02 -0.23 -0.04 0.93 0.68 2dh9A6 LEU 565 HD23 -0.03 0.02 -0.15 -0.04 0.89 0.68 2dh9A6 TYR 566 H 0.02 0.06 0.23 -0.55 8.29 8.04 2dh9A6 TYR 566 HA -0.02 0.23 0.83 -0.75 4.56 4.86 2dh9A6 TYR 566 HB2 -0.03 0.08 -0.13 -0.04 3.06 2.95 2dh9A6 TYR 566 HB3 -0.05 -0.09 0.00 -0.04 2.98 2.79 2dh9A6 TYR 566 HD2 -0.04 0.03 -0.08 -0.04 7.15 7.01 2dh9A6 TYR 566 HE2 -0.05 0.02 -0.07 -0.04 6.85 6.71 2dh9A6 ALA 567 H -0.88 0.21 0.06 -0.55 8.40 7.25 2dh9A6 ALA 567 HA -0.47 0.30 0.65 -0.75 4.34 4.06 2dh9A6 ALA 567 HB3 -0.13 0.03 -0.10 -0.04 1.41 1.17 2dh9A6 ASP 568 H -0.39 0.39 0.25 -0.55 8.40 8.09 2dh9A6 ASP 568 HA -0.09 0.09 0.73 -0.75 4.63 4.59 2dh9A6 ASP 568 HB2 -0.34 0.03 -0.23 -0.04 2.71 2.14 2dh9A6 ASP 568 HB3 -0.05 0.00 -0.04 -0.04 2.70 2.58 2dh9A6 ILE 569 H 0.03 0.15 0.12 -0.55 8.25 8.00 2dh9A6 ILE 569 HA -0.02 0.19 0.89 -0.75 4.18 4.48 2dh9A6 ILE 569 HB 0.10 -0.05 0.16 -0.04 1.89 2.06 2dh9A6 ILE 569 HG12 0.14 -0.15 -0.20 -0.04 1.49 1.24 2dh9A6 ILE 569 HG13 0.17 0.03 -0.20 -0.04 1.21 1.17 2dh9A6 ILE 569 HG23 0.08 0.07 -0.15 -0.04 0.93 0.89 2dh9A6 ILE 569 HD13 0.16 0.03 -0.31 -0.04 0.88 0.71 2dh9A6 LYS 570 H -0.04 0.34 0.35 -0.55 8.42 8.51 2dh9A6 LYS 570 HA 0.04 -0.04 0.40 -0.75 4.32 3.96 2dh9A6 LYS 570 HB2 0.05 0.04 0.11 -0.04 1.87 2.03 2dh9A6 LYS 570 HB3 0.08 0.05 0.02 -0.04 1.79 1.90 2dh9A6 LYS 570 HG2 -0.05 -0.06 0.04 -0.04 1.46 1.35 2dh9A6 LYS 570 HG3 0.10 0.03 -0.08 -0.04 1.46 1.47 2dh9A6 LYS 570 HD2 0.13 0.03 -0.02 -0.04 1.69 1.79 2dh9A6 LYS 570 HD3 0.07 -0.02 -0.00 -0.04 1.68 1.68 2dh9A6 LYS 570 HE2 0.10 -0.01 -0.05 -0.04 2.99 2.99 2dh9A6 LYS 570 HE3 0.04 -0.05 -0.07 -0.04 2.99 2.88 2dh9A6 MET 571 H 0.04 0.08 0.30 -0.55 8.47 8.35 2dh9A6 MET 571 HA 0.06 0.06 0.69 -0.75 4.52 4.57 2dh9A6 MET 571 HB2 0.03 -0.02 0.08 -0.04 2.15 2.20 2dh9A6 MET 571 HB3 0.04 -0.10 -0.11 -0.04 2.03 1.83 2dh9A6 MET 571 HG2 0.07 -0.05 -0.15 -0.04 2.63 2.46 2dh9A6 MET 571 HG3 0.05 0.21 0.04 -0.04 2.56 2.82 2dh9A6 MET 571 HE3 0.04 -0.06 -0.22 -0.04 2.10 1.82 2dh9A6 GLU 572 H 0.05 0.57 0.08 -0.55 8.60 8.76 2dh9A6 GLU 572 HA 0.04 0.01 0.59 -0.75 4.29 4.17 2dh9A6 GLU 572 HB2 0.05 0.13 -0.15 -0.04 2.09 2.08 2dh9A6 GLU 572 HB3 0.05 0.04 0.03 -0.04 1.99 2.07 2dh9A6 GLU 572 HG2 0.04 0.00 -0.17 -0.04 2.34 2.17 2dh9A6 GLU 572 HG3 0.03 -0.05 0.02 -0.04 2.34 2.30 2dh9A6 ASN 573 H 0.02 0.18 0.13 -0.55 8.53 8.32 2dh9A6 ASN 573 HA 0.02 0.05 0.35 -0.75 4.76 4.43 2dh9A6 ASN 573 HB2 0.02 -0.02 -0.24 -0.04 2.88 2.60 2dh9A6 ASN 573 HB3 0.02 0.14 0.33 -0.04 2.79 3.25 2dh9A6 ASN 573 HD21 0.01 0.01 0.07 -0.04 7.03 7.07 2dh9A6 ASN 573 HD22 0.01 -0.01 0.22 -0.04 7.74 7.92 2dh9A6 GLY 574 H 0.02 0.02 -0.20 -0.55 8.43 7.73 2dh9A6 GLY 574 HA2 0.02 -0.01 0.29 -0.51 4.01 3.80 2dh9A6 GLY 574 HA3 0.01 0.17 0.53 -0.51 4.01 4.21 2dh9A6 LYS 575 H 0.03 0.27 -0.89 -0.55 8.42 7.27 2dh9A6 LYS 575 HA 0.03 0.15 0.90 -0.75 4.32 4.65 2dh9A6 LYS 575 HB2 0.03 0.03 0.02 -0.04 1.87 1.91 2dh9A6 LYS 575 HB3 -0.01 0.01 -0.03 -0.04 1.79 1.71 2dh9A6 LYS 575 HG2 0.03 0.04 0.04 -0.04 1.46 1.52 2dh9A6 LYS 575 HG3 0.06 0.14 0.04 -0.04 1.46 1.66 2dh9A6 LYS 575 HD2 0.11 0.02 -0.12 -0.04 1.69 1.66 2dh9A6 LYS 575 HD3 0.04 -0.03 -0.02 -0.04 1.68 1.62 2dh9A6 LYS 575 HE2 0.03 -0.01 0.01 -0.04 2.99 2.98 2dh9A6 LYS 575 HE3 0.05 0.01 -0.01 -0.04 2.99 2.99 2dh9A6 SER 576 H 0.15 0.16 0.15 -0.55 8.46 8.37 2dh9A6 SER 576 HA 0.11 0.07 0.63 -0.75 4.49 4.54 2dh9A6 SER 576 HB2 0.13 -0.02 0.02 -0.04 3.95 4.03 2dh9A6 SER 576 HB3 0.15 0.04 0.09 -0.04 3.93 4.17 2dh9A6 LYS 577 H 0.08 0.38 0.23 -0.55 8.42 8.56 2dh9A6 LYS 577 HA 0.09 0.18 0.65 -0.75 4.32 4.49 2dh9A6 LYS 577 HB2 0.07 0.05 0.07 -0.04 1.87 2.02 2dh9A6 LYS 577 HB3 0.06 -0.01 0.16 -0.04 1.79 1.95 2dh9A6 LYS 577 HG2 0.07 0.02 -0.02 -0.04 1.46 1.49 2dh9A6 LYS 577 HG3 0.06 -0.01 -0.03 -0.04 1.46 1.43 2dh9A6 LYS 577 HD2 0.10 0.04 -0.19 -0.04 1.69 1.60 2dh9A6 LYS 577 HD3 0.06 0.04 -0.06 -0.04 1.68 1.68 2dh9A6 LYS 577 HE2 0.05 -0.02 -0.00 -0.04 2.99 2.98 2dh9A6 LYS 577 HE3 0.06 -0.00 0.03 -0.04 2.99 3.03 2dh9A6 GLY 578 H 0.04 0.02 -0.56 -0.55 8.43 7.38 2dh9A6 GLY 578 HA2 -0.07 0.07 0.17 -0.51 4.01 3.68 2dh9A6 GLY 578 HA3 -0.11 0.11 0.46 -0.51 4.01 3.96 2dh9A6 CYS 579 H -0.00 0.14 -0.09 -0.55 8.50 8.01 2dh9A6 CYS 579 HA -0.05 0.26 0.75 -0.75 4.58 4.78 2dh9A6 CYS 579 HB2 0.22 0.07 0.13 -0.04 2.97 3.35 2dh9A6 CYS 579 HB3 0.12 0.04 -0.03 -0.04 2.97 3.05 2dh9A6 GLY 580 H -0.35 0.48 0.31 -0.55 8.43 8.31 2dh9A6 GLY 580 HA2 -0.27 -0.00 0.73 -0.51 4.01 3.95 2dh9A6 GLY 580 HA3 -0.23 0.05 0.42 -0.51 4.01 3.74 2dh9A6 VAL 581 H -0.27 0.33 0.32 -0.55 8.24 8.07 2dh9A6 VAL 581 HA -0.31 0.24 0.90 -0.75 4.13 4.20 2dh9A6 VAL 581 HB 0.02 0.04 -0.03 -0.04 2.12 2.11 2dh9A6 VAL 581 HG13 -0.19 0.04 -0.02 -0.04 0.97 0.76 2dh9A6 VAL 581 HG23 0.07 -0.04 0.01 -0.04 0.95 0.95 2dh9A6 VAL 582 H -0.07 0.39 0.07 -0.55 8.24 8.07 2dh9A6 VAL 582 HA -0.23 0.29 0.95 -0.75 4.13 4.39 2dh9A6 VAL 582 HB -0.13 -0.07 0.02 -0.04 2.12 1.91 2dh9A6 VAL 582 HG13 -0.50 0.02 -0.11 -0.04 0.97 0.34 2dh9A6 VAL 582 HG23 -0.78 0.01 -0.36 -0.04 0.95 -0.22 2dh9A6 LYS 583 H -0.15 0.36 0.27 -0.55 8.42 8.34 2dh9A6 LYS 583 HA 0.05 0.05 0.98 -0.75 4.32 4.64 2dh9A6 LYS 583 HB2 0.08 -0.07 0.13 -0.04 1.87 1.97 2dh9A6 LYS 583 HB3 0.03 0.12 0.03 -0.04 1.79 1.93 2dh9A6 LYS 583 HG2 0.04 0.06 -0.06 -0.04 1.46 1.47 2dh9A6 LYS 583 HG3 0.08 -0.05 -0.04 -0.04 1.46 1.41 2dh9A6 LYS 583 HD2 0.13 -0.05 -0.34 -0.04 1.69 1.39 2dh9A6 LYS 583 HD3 0.23 -0.04 -0.13 -0.04 1.68 1.70 2dh9A6 LYS 583 HE2 -0.05 -0.02 -0.09 -0.04 2.99 2.80 2dh9A6 LYS 583 HE3 0.05 0.13 -0.14 -0.04 2.99 2.98 2dh9A6 PHE 584 H 0.19 0.08 0.20 -0.55 8.34 8.27 2dh9A6 PHE 584 HA 0.10 0.45 0.94 -0.75 4.62 5.35 2dh9A6 PHE 584 HB2 0.06 -0.01 -0.01 -0.04 3.15 3.15 2dh9A6 PHE 584 HB3 0.07 -0.15 0.13 -0.04 3.06 3.07 2dh9A6 PHE 584 HD2 0.11 -0.06 -0.23 -0.04 7.28 7.05 2dh9A6 PHE 584 HE2 0.16 0.07 -0.15 -0.04 7.38 7.42 2dh9A6 PHE 584 HZ 0.38 0.01 -0.09 -0.04 7.32 7.57 2dh9A6 GLU 585 H 0.24 0.21 0.19 -0.55 8.60 8.69 2dh9A6 GLU 585 HA 0.02 0.16 0.60 -0.75 4.29 4.32 2dh9A6 GLU 585 HB2 0.03 -0.06 0.16 -0.04 2.09 2.18 2dh9A6 GLU 585 HB3 -0.03 0.04 0.03 -0.04 1.99 1.99 2dh9A6 GLU 585 HG2 -0.20 0.03 -0.06 -0.04 2.34 2.07 2dh9A6 GLU 585 HG3 -0.29 0.03 -0.02 -0.04 2.34 2.02 2dh9A6 SER 586 H 0.12 0.01 0.10 -0.55 8.46 8.14 2dh9A6 SER 586 HA 0.04 0.37 0.95 -0.75 4.49 5.09 2dh9A6 SER 586 HB2 0.03 -0.02 0.12 -0.04 3.95 4.03 2dh9A6 SER 586 HB3 0.01 -0.16 0.08 -0.04 3.93 3.82 2dh9A6 PRO 587 HA 0.05 0.07 0.46 -0.51 4.44 4.50 2dh9A6 PRO 587 HB2 0.02 0.07 -0.00 -0.04 2.28 2.32 2dh9A6 PRO 587 HB3 0.03 0.10 0.11 -0.04 2.02 2.21 2dh9A6 PRO 587 HG2 0.01 0.00 0.12 -0.04 2.03 2.12 2dh9A6 PRO 587 HG3 0.02 0.15 0.09 -0.04 2.03 2.25 2dh9A6 PRO 587 HD2 0.02 0.09 0.27 -0.04 3.68 4.02 2dh9A6 PRO 587 HD3 0.03 0.30 0.21 -0.04 3.65 4.14 2dh9A6 GLU 588 H -0.00 0.19 -0.07 -0.55 8.60 8.17 2dh9A6 GLU 588 HA -0.02 0.14 0.42 -0.75 4.29 4.07 2dh9A6 GLU 588 HB2 -0.03 0.08 0.03 -0.04 2.09 2.13 2dh9A6 GLU 588 HB3 -0.01 0.06 0.09 -0.04 1.99 2.09 2dh9A6 GLU 588 HG2 -0.01 -0.11 0.05 -0.04 2.34 2.23 2dh9A6 GLU 588 HG3 -0.03 0.04 -0.12 -0.04 2.34 2.19 2dh9A6 VAL 589 H -0.06 0.06 -0.37 -0.55 8.24 7.32 2dh9A6 VAL 589 HA -0.20 0.15 0.40 -0.75 4.13 3.73 2dh9A6 VAL 589 HB -0.13 0.03 0.05 -0.04 2.12 2.02 2dh9A6 VAL 589 HG13 -0.33 0.04 -0.07 -0.04 0.97 0.56 2dh9A6 VAL 589 HG23 -0.02 -0.00 0.04 -0.04 0.95 0.93 2dh9A6 ALA 590 H -0.12 0.22 -0.36 -0.55 8.40 7.60 2dh9A6 ALA 590 HA -0.27 0.07 0.34 -0.75 4.34 3.72 2dh9A6 ALA 590 HB3 0.14 0.01 0.08 -0.04 1.41 1.60 2dh9A6 GLU 591 H -0.04 0.38 -0.12 -0.55 8.60 8.28 2dh9A6 GLU 591 HA 0.01 0.07 0.44 -0.75 4.29 4.06 2dh9A6 GLU 591 HB2 0.00 0.01 0.07 -0.04 2.09 2.14 2dh9A6 GLU 591 HB3 0.00 0.01 0.10 -0.04 1.99 2.06 2dh9A6 GLU 591 HG2 -0.04 0.15 0.00 -0.04 2.34 2.41 2dh9A6 GLU 591 HG3 -0.02 0.00 -0.20 -0.04 2.34 2.08 2dh9A6 ARG 592 H -0.12 0.29 -0.39 -0.55 8.46 7.69 2dh9A6 ARG 592 HA -0.06 0.05 0.41 -0.75 4.34 3.98 2dh9A6 ARG 592 HB2 -0.09 0.08 0.11 -0.04 1.90 1.96 2dh9A6 ARG 592 HB3 -0.18 0.03 0.19 -0.04 1.80 1.81 2dh9A6 ARG 592 HG2 -0.09 -0.03 -0.27 -0.04 1.67 1.24 2dh9A6 ARG 592 HG3 -0.06 -0.02 0.02 -0.04 1.67 1.57 2dh9A6 ARG 592 HD2 -0.12 0.01 -0.05 -0.04 3.22 3.01 2dh9A6 ARG 592 HD3 -0.06 0.05 -0.03 -0.04 3.22 3.14 2dh9A6 ALA 593 H -0.21 0.49 -0.29 -0.55 8.40 7.85 2dh9A6 ALA 593 HA -0.11 0.04 0.47 -0.75 4.34 3.99 2dh9A6 ALA 593 HB3 -0.04 0.04 0.07 -0.04 1.41 1.43 2dh9A6 CYS 594 H -0.02 0.27 -0.70 -0.55 8.50 7.50 2dh9A6 CYS 594 HA 0.05 -0.03 0.44 -0.75 4.58 4.29 2dh9A6 CYS 594 HB2 0.01 0.25 0.10 -0.04 2.97 3.30 2dh9A6 CYS 594 HB3 0.04 0.10 0.00 -0.04 2.97 3.07 2dh9A6 ARG 595 H -0.03 0.26 -0.32 -0.55 8.46 7.82 2dh9A6 ARG 595 HA -0.02 0.17 0.71 -0.75 4.34 4.45 2dh9A6 ARG 595 HB2 -0.03 0.08 0.14 -0.04 1.90 2.06 2dh9A6 ARG 595 HB3 -0.02 -0.01 0.02 -0.04 1.80 1.74 2dh9A6 ARG 595 HG2 -0.01 -0.01 0.01 -0.04 1.67 1.62 2dh9A6 ARG 595 HG3 -0.01 -0.01 -0.08 -0.04 1.67 1.53 2dh9A6 ARG 595 HD2 -0.01 -0.05 -0.04 -0.04 3.22 3.08 2dh9A6 ARG 595 HD3 -0.03 0.00 0.00 -0.04 3.22 3.16 2dh9A6 MET 596 H -0.06 0.20 -0.03 -0.55 8.47 8.04 2dh9A6 MET 596 HA -0.05 0.11 0.50 -0.75 4.52 4.33 2dh9A6 MET 596 HB2 -0.10 -0.07 0.13 -0.04 2.15 2.08 2dh9A6 MET 596 HB3 -0.07 -0.01 -0.01 -0.04 2.03 1.90 2dh9A6 MET 596 HG2 -0.05 -0.01 -0.02 -0.04 2.63 2.51 2dh9A6 MET 596 HG3 -0.06 0.16 0.06 -0.04 2.56 2.67 2dh9A6 MET 596 HE3 -0.06 -0.01 -0.03 -0.04 2.10 1.97 2dh9A6 MET 597 H -0.11 0.32 -0.04 -0.55 8.47 8.09 2dh9A6 MET 597 HA -0.14 0.02 0.39 -0.75 4.52 4.04 2dh9A6 MET 597 HB2 -0.11 0.07 0.21 -0.04 2.15 2.29 2dh9A6 MET 597 HB3 -0.19 -0.09 -0.01 -0.04 2.03 1.70 2dh9A6 MET 597 HG2 -0.35 0.09 0.19 -0.04 2.63 2.52 2dh9A6 MET 597 HG3 -1.24 -0.08 0.00 -0.04 2.56 1.20 2dh9A6 MET 597 HE3 -0.75 0.01 -0.16 -0.04 2.10 1.16 2dh9A6 ASN 598 H -0.02 0.15 -0.07 -0.55 8.53 8.04 2dh9A6 ASN 598 HA 0.00 -0.16 0.43 -0.75 4.76 4.28 2dh9A6 ASN 598 HB2 0.02 0.07 0.38 -0.04 2.88 3.30 2dh9A6 ASN 598 HB3 -0.00 0.14 0.24 -0.04 2.79 3.13 2dh9A6 ASN 598 HD21 0.03 0.61 0.26 -0.04 7.03 7.88 2dh9A6 ASN 598 HD22 0.02 -0.12 0.04 -0.04 7.74 7.64 2dh9A6 GLY 599 H -0.01 0.09 0.37 -0.55 8.43 8.33 2dh9A6 GLY 599 HA2 -0.01 -0.09 0.38 -0.51 4.01 3.78 2dh9A6 GLY 599 HA3 -0.02 0.24 0.97 -0.51 4.01 4.70 2dh9A6 MET 600 H -0.03 0.17 0.24 -0.55 8.47 8.31 2dh9A6 MET 600 HA -0.02 0.12 0.88 -0.75 4.52 4.74 2dh9A6 MET 600 HB2 -0.03 -0.07 -0.00 -0.04 2.15 2.01 2dh9A6 MET 600 HB3 -0.04 0.24 0.10 -0.04 2.03 2.28 2dh9A6 MET 600 HG2 -0.04 -0.01 0.12 -0.04 2.63 2.66 2dh9A6 MET 600 HG3 -0.03 -0.09 -0.03 -0.04 2.56 2.37 2dh9A6 MET 600 HE3 0.02 -0.03 -0.08 -0.04 2.10 1.96 2dh9A6 LYS 601 H -0.01 0.21 0.11 -0.55 8.42 8.18 2dh9A6 LYS 601 HA -0.02 0.37 0.37 -0.75 4.32 4.28 2dh9A6 LYS 601 HB2 -0.01 0.03 0.13 -0.04 1.87 1.98 2dh9A6 LYS 601 HB3 -0.01 -0.18 -0.17 -0.04 1.79 1.39 2dh9A6 LYS 601 HG2 -0.02 -0.02 -0.30 -0.04 1.46 1.09 2dh9A6 LYS 601 HG3 -0.01 0.11 -0.09 -0.04 1.46 1.43 2dh9A6 LYS 601 HD2 -0.01 0.03 -0.05 -0.04 1.69 1.62 2dh9A6 LYS 601 HD3 -0.01 -0.05 -0.20 -0.04 1.68 1.38 2dh9A6 LYS 601 HE2 -0.01 -0.06 -0.10 -0.04 2.99 2.78 2dh9A6 LYS 601 HE3 -0.01 0.03 -0.06 -0.04 2.99 2.91 2dh9A6 LEU 602 H -0.03 0.77 0.28 -0.55 8.37 8.84 2dh9A6 LEU 602 HA 0.03 0.06 0.59 -0.75 4.35 4.27 2dh9A6 LEU 602 HB2 -0.04 0.05 0.22 -0.04 1.64 1.84 2dh9A6 LEU 602 HB3 0.08 -0.05 0.03 -0.04 1.64 1.66 2dh9A6 LEU 602 HG -0.06 0.22 0.07 -0.04 1.64 1.83 2dh9A6 LEU 602 HD13 -0.26 -0.01 -0.04 -0.04 0.93 0.58 2dh9A6 LEU 602 HD23 0.06 -0.00 -0.12 -0.04 0.89 0.78 2dh9A6 SER 603 H 0.02 0.26 0.22 -0.55 8.46 8.42 2dh9A6 SER 603 HA 0.02 0.04 0.31 -0.75 4.49 4.10 2dh9A6 SER 603 HB2 0.04 -0.07 -0.24 -0.04 3.95 3.64 2dh9A6 SER 603 HB3 0.03 0.13 0.12 -0.04 3.93 4.17 2dh9A6 GLY 604 H 0.00 0.12 -0.67 -0.55 8.43 7.34 2dh9A6 GLY 604 HA2 -0.00 -0.00 0.15 -0.51 4.01 3.65 2dh9A6 GLY 604 HA3 0.00 0.17 0.67 -0.51 4.01 4.34 2dh9A6 ARG 605 H -0.01 -0.04 -0.49 -0.55 8.46 7.36 2dh9A6 ARG 605 HA -0.03 0.14 0.88 -0.75 4.34 4.57 2dh9A6 ARG 605 HB2 -0.05 0.11 0.11 -0.04 1.90 2.03 2dh9A6 ARG 605 HB3 -0.07 0.19 -0.04 -0.04 1.80 1.84 2dh9A6 ARG 605 HG2 -0.04 0.10 -0.15 -0.04 1.67 1.55 2dh9A6 ARG 605 HG3 -0.03 0.03 -0.32 -0.04 1.67 1.31 2dh9A6 ARG 605 HD2 -0.12 -0.16 -0.13 -0.04 3.22 2.78 2dh9A6 ARG 605 HD3 -0.12 0.08 -0.20 -0.04 3.22 2.94 2dh9A6 GLU 606 H -0.03 0.13 0.08 -0.55 8.60 8.23 2dh9A6 GLU 606 HA -0.02 0.05 0.39 -0.75 4.29 3.96 2dh9A6 GLU 606 HB2 -0.02 -0.03 0.06 -0.04 2.09 2.06 2dh9A6 GLU 606 HB3 -0.02 0.02 -0.04 -0.04 1.99 1.92 2dh9A6 GLU 606 HG2 -0.01 -0.03 -0.00 -0.04 2.34 2.25 2dh9A6 GLU 606 HG3 -0.01 0.00 -0.07 -0.04 2.34 2.21 2dh9A6 ILE 607 H -0.02 0.11 0.20 -0.55 8.25 7.99 2dh9A6 ILE 607 HA -0.02 0.39 1.01 -0.75 4.18 4.80 2dh9A6 ILE 607 HB -0.01 -0.14 -0.02 -0.04 1.89 1.67 2dh9A6 ILE 607 HG12 -0.04 0.25 0.23 -0.04 1.49 1.89 2dh9A6 ILE 607 HG13 -0.01 -0.21 0.02 -0.04 1.21 0.97 2dh9A6 ILE 607 HG23 -0.10 0.06 -0.21 -0.04 0.93 0.63 2dh9A6 ILE 607 HD13 -0.05 -0.03 -0.04 -0.04 0.88 0.73 2dh9A6 ASP 608 H 0.02 0.33 0.19 -0.55 8.40 8.39 2dh9A6 ASP 608 HA 0.02 0.17 1.01 -0.75 4.63 5.08 2dh9A6 ASP 608 HB2 0.03 -0.02 0.14 -0.04 2.71 2.81 2dh9A6 ASP 608 HB3 0.03 0.03 0.03 -0.04 2.70 2.76 2dh9A6 VAL 609 H 0.04 0.16 0.15 -0.55 8.24 8.04 2dh9A6 VAL 609 HA 0.12 0.30 0.92 -0.75 4.13 4.72 2dh9A6 VAL 609 HB 0.07 0.05 0.25 -0.04 2.12 2.44 2dh9A6 VAL 609 HG13 0.21 0.01 -0.11 -0.04 0.97 1.05 2dh9A6 VAL 609 HG23 0.08 -0.02 -0.07 -0.04 0.95 0.90 2dh9A6 ARG 610 H 0.14 0.60 0.44 -0.55 8.46 9.08 2dh9A6 ARG 610 HA 0.06 0.17 0.85 -0.75 4.34 4.67 2dh9A6 ARG 610 HB2 0.07 0.03 -0.02 -0.04 1.90 1.95 2dh9A6 ARG 610 HB3 0.05 0.00 0.08 -0.04 1.80 1.88 2dh9A6 ARG 610 HG2 0.03 -0.02 -0.05 -0.04 1.67 1.59 2dh9A6 ARG 610 HG3 0.04 0.14 -0.03 -0.04 1.67 1.78 2dh9A6 ARG 610 HD2 0.05 -0.10 -0.99 -0.04 3.22 2.15 2dh9A6 ARG 610 HD3 0.05 0.06 -0.24 -0.04 3.22 3.05 2dh9A6 ILE 611 H 0.06 0.18 0.16 -0.55 8.25 8.10 2dh9A6 ILE 611 HA 0.10 0.03 0.61 -0.75 4.18 4.17 2dh9A6 ILE 611 HB 0.04 0.04 0.17 -0.04 1.89 2.11 2dh9A6 ILE 611 HG12 0.05 0.01 -0.01 -0.04 1.49 1.51 2dh9A6 ILE 611 HG13 0.03 0.02 0.01 -0.04 1.21 1.24 2dh9A6 ILE 611 HG23 0.05 0.01 -0.13 -0.04 0.93 0.82 2dh9A6 ILE 611 HD13 0.07 0.02 -0.24 -0.04 0.88 0.68 2dh9A6 ASP 612 H 0.13 0.21 0.14 -0.55 8.40 8.33 2dh9A6 ASP 612 HA 0.05 0.12 0.70 -0.75 4.63 4.76 2dh9A6 ASP 612 HB2 0.24 -0.13 -0.03 -0.04 2.71 2.74 2dh9A6 ASP 612 HB3 0.16 0.35 0.32 -0.04 2.70 3.49 2dh9A6 ARG 613 H 0.05 0.15 -0.58 -0.55 8.46 7.53 2dh9A6 ARG 613 HA 0.04 0.19 0.57 -0.75 4.34 4.39 2dh9A6 ARG 613 HB2 0.03 0.00 -0.02 -0.04 1.90 1.87 2dh9A6 ARG 613 HB3 0.04 -0.06 -0.02 -0.04 1.80 1.71 2dh9A6 ARG 613 HG2 0.03 -0.03 -0.07 -0.04 1.67 1.56 2dh9A6 ARG 613 HG3 0.03 0.06 -0.03 -0.04 1.67 1.68 2dh9A6 ARG 613 HD2 0.01 -0.03 -0.22 -0.04 3.22 2.94 2dh9A6 ARG 613 HD3 0.02 0.03 -1.03 -0.04 3.22 2.19 2dh9A6 ASN 614 H 0.02 0.12 0.09 -0.55 8.53 8.22 2dh9A6 ASN 614 HA 0.01 0.09 0.40 -0.75 4.76 4.51 2dh9A6 ASN 614 HB2 0.01 0.03 0.09 -0.04 2.88 2.98 2dh9A6 ASN 614 HB3 0.01 -0.03 0.17 -0.04 2.79 2.90 2dh9A6 ASN 614 HD21 0.01 0.01 -0.03 -0.04 7.03 6.97 2dh9A6 ASN 614 HD22 0.00 -0.02 -0.09 -0.04 7.74 7.60 2dh9A6 ALA 615 H 0.00 0.34 0.28 -0.55 8.40 8.48 2dh9A6 ALA 615 HA 0.01 -0.02 0.34 -0.75 4.34 3.91 2dh9A6 ALA 615 HB3 -0.00 0.01 0.11 -0.04 1.41 1.48 2dh9A6 SER 616 H 0.00 0.26 0.23 -0.55 8.46 8.41 2dh9A6 SER 616 HA 0.00 0.03 0.51 -0.75 4.49 4.27 2dh9A6 SER 616 HB2 0.00 0.08 -0.20 -0.04 3.95 3.78 2dh9A6 SER 616 HB3 0.00 -0.05 -0.05 -0.04 3.93 3.79 2dh9A6 GLY 617 H 0.00 0.12 0.13 -0.55 8.43 8.14 2dh9A6 GLY 617 HA2 0.00 0.01 0.30 -0.51 4.01 3.81 2dh9A6 GLY 617 HA3 0.00 0.25 0.85 -0.51 4.01 4.60 2dh9A6 PRO 618 HA 0.00 0.06 0.40 -0.51 4.44 4.39 2dh9A6 PRO 618 HB2 0.00 0.02 0.09 -0.04 2.28 2.35 2dh9A6 PRO 618 HB3 0.00 0.02 0.09 -0.04 2.02 2.09 2dh9A6 PRO 618 HG2 0.00 0.03 0.12 -0.04 2.03 2.15 2dh9A6 PRO 618 HG3 0.00 0.04 0.09 -0.04 2.03 2.13 2dh9A6 PRO 618 HD2 0.00 0.19 0.21 -0.04 3.68 4.04 2dh9A6 PRO 618 HD3 0.00 0.10 0.17 -0.04 3.65 3.88 2dh9A6 SER 619 H 0.00 0.31 0.23 -0.55 8.46 8.45 2dh9A6 SER 619 HA 0.00 0.02 0.24 -0.75 4.49 4.00 2dh9A6 SER 619 HB2 0.00 0.01 -0.07 -0.04 3.95 3.85 2dh9A6 SER 619 HB3 0.00 0.06 0.05 -0.04 3.93 4.00 2dh9A6 SER 620 H 0.00 0.16 0.21 -0.55 8.46 8.29 2dh9A6 SER 620 HA 0.00 0.03 0.46 -0.75 4.49 4.22 2dh9A6 SER 620 HB2 0.00 0.07 0.14 -0.04 3.95 4.12 2dh9A6 SER 620 HB3 0.00 -0.02 0.21 -0.04 3.93 4.08 2dh9A6 GLY 621 H 0.00 0.22 0.16 -0.55 8.43 8.26 2dh9A6 GLY 621 HA2 0.00 0.04 0.18 -0.51 4.01 3.72 2dh9A6 GLY 621 HA3 0.00 0.03 0.14 -0.51 4.01 3.67