============================================================================= 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 -5.453 3.358 11.479 -99.200 -91.000 PHE 15 1.000 3.395 -10.255 13.293 -99.200 -91.000 PHE 17 1.000 2.521 -3.325 4.325 -99.200 -91.000 TRP 19 1.040 10.081 2.324 7.335 -99.200 -91.000 TRP6 19 1.020 10.767 3.853 5.674 -99.200 -91.000 PHE 26 1.000 -1.372 1.651 1.222 -99.200 -91.000 HIS 31 0.900 4.005 12.310 -3.773 -99.200 -91.000 TYR 34 0.840 3.418 9.791 8.631 -99.200 -91.000 PHE 52 1.000 -2.796 8.091 -0.682 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dh9A15 GLY 533 HA2 0.01 -0.03 0.18 -0.51 4.01 3.66 2dh9A15 GLY 533 HA3 0.01 -0.03 0.22 -0.51 4.01 3.69 2dh9A15 SER 534 H 0.01 0.19 0.03 -0.55 8.46 8.14 2dh9A15 SER 534 HA 0.01 0.16 0.97 -0.75 4.49 4.87 2dh9A15 SER 534 HB2 0.01 0.04 -0.06 -0.04 3.95 3.89 2dh9A15 SER 534 HB3 0.01 -0.03 0.14 -0.04 3.93 4.01 2dh9A15 SER 535 H 0.01 0.18 0.03 -0.55 8.46 8.14 2dh9A15 SER 535 HA 0.02 0.02 0.44 -0.75 4.49 4.21 2dh9A15 SER 535 HB2 0.01 0.03 0.09 -0.04 3.95 4.04 2dh9A15 SER 535 HB3 0.01 0.01 0.05 -0.04 3.93 3.96 2dh9A15 GLY 536 H 0.03 0.13 0.12 -0.55 8.43 8.17 2dh9A15 GLY 536 HA2 0.02 -0.03 0.36 -0.51 4.01 3.85 2dh9A15 GLY 536 HA3 0.02 0.16 0.70 -0.51 4.01 4.39 2dh9A15 SER 537 H 0.03 0.17 0.08 -0.55 8.46 8.20 2dh9A15 SER 537 HA 0.09 0.04 0.09 -0.75 4.49 3.95 2dh9A15 SER 537 HB2 0.03 -0.08 0.22 -0.04 3.95 4.08 2dh9A15 SER 537 HB3 0.06 0.07 0.16 -0.04 3.93 4.18 2dh9A15 SER 538 H 0.11 0.19 0.15 -0.55 8.46 8.36 2dh9A15 SER 538 HA 0.08 0.12 0.62 -0.75 4.49 4.56 2dh9A15 SER 538 HB2 0.07 -0.00 0.09 -0.04 3.95 4.06 2dh9A15 SER 538 HB3 0.09 -0.06 0.22 -0.04 3.93 4.15 2dh9A15 GLY 539 H 0.10 0.19 0.15 -0.55 8.43 8.32 2dh9A15 GLY 539 HA2 0.15 0.20 0.96 -0.51 4.01 4.81 2dh9A15 GLY 539 HA3 0.11 0.04 0.27 -0.51 4.01 3.91 2dh9A15 ILE 540 H 0.18 0.58 0.25 -0.55 8.25 8.71 2dh9A15 ILE 540 HA 0.18 -0.11 0.97 -0.75 4.18 4.47 2dh9A15 ILE 540 HB 0.21 0.13 0.06 -0.04 1.89 2.25 2dh9A15 ILE 540 HG12 0.27 0.16 0.09 -0.04 1.49 1.96 2dh9A15 ILE 540 HG13 0.19 -0.02 -0.43 -0.04 1.21 0.91 2dh9A15 ILE 540 HG23 0.30 -0.02 -0.18 -0.04 0.93 0.99 2dh9A15 ILE 540 HD13 0.53 0.01 -0.15 -0.04 0.88 1.23 2dh9A15 PHE 541 H 0.24 0.60 0.36 -0.55 8.34 8.98 2dh9A15 PHE 541 HA 0.05 0.21 1.07 -0.75 4.62 5.20 2dh9A15 PHE 541 HB2 0.05 -0.04 -0.12 -0.04 3.15 2.99 2dh9A15 PHE 541 HB3 0.04 -0.02 0.02 -0.04 3.06 3.06 2dh9A15 PHE 541 HD2 0.03 -0.01 -0.09 -0.04 7.28 7.17 2dh9A15 PHE 541 HE2 0.02 -0.02 0.01 -0.04 7.38 7.36 2dh9A15 PHE 541 HZ 0.02 -0.04 -0.04 -0.04 7.32 7.23 2dh9A15 VAL 542 H -0.39 0.58 0.38 -0.55 8.24 8.26 2dh9A15 VAL 542 HA 0.13 0.31 1.01 -0.75 4.13 4.83 2dh9A15 VAL 542 HB -0.08 -0.10 -0.08 -0.04 2.12 1.81 2dh9A15 VAL 542 HG13 0.03 0.03 -0.10 -0.04 0.97 0.88 2dh9A15 VAL 542 HG23 0.13 -0.00 -0.32 -0.04 0.95 0.71 2dh9A15 ARG 543 H 0.05 0.22 0.24 -0.55 8.46 8.42 2dh9A15 ARG 543 HA 0.06 0.25 0.98 -0.75 4.34 4.88 2dh9A15 ARG 543 HB2 0.09 -0.00 0.05 -0.04 1.90 1.99 2dh9A15 ARG 543 HB3 0.05 0.00 0.13 -0.04 1.80 1.94 2dh9A15 ARG 543 HG2 0.19 0.06 0.19 -0.04 1.67 2.08 2dh9A15 ARG 543 HG3 0.31 0.00 -0.21 -0.04 1.67 1.73 2dh9A15 ARG 543 HD2 0.04 -0.02 -0.02 -0.04 3.22 3.18 2dh9A15 ARG 543 HD3 0.05 -0.01 0.04 -0.04 3.22 3.26 2dh9A15 ASN 544 H -0.00 0.24 0.29 -0.55 8.53 8.51 2dh9A15 ASN 544 HA -0.06 0.01 0.37 -0.75 4.76 4.33 2dh9A15 ASN 544 HB2 -0.02 -0.14 -0.08 -0.04 2.88 2.59 2dh9A15 ASN 544 HB3 -0.04 0.17 0.38 -0.04 2.79 3.25 2dh9A15 ASN 544 HD21 -0.07 0.00 0.06 -0.04 7.03 6.98 2dh9A15 ASN 544 HD22 -0.06 -0.19 0.04 -0.04 7.74 7.49 2dh9A15 LEU 545 H -0.09 0.63 -0.05 -0.55 8.37 8.31 2dh9A15 LEU 545 HA -0.24 0.18 0.54 -0.75 4.35 4.07 2dh9A15 LEU 545 HB2 -0.13 -0.24 -0.33 -0.04 1.64 0.90 2dh9A15 LEU 545 HB3 -0.39 0.05 -0.17 -0.04 1.64 1.09 2dh9A15 LEU 545 HG -0.17 0.05 -0.45 -0.04 1.64 1.02 2dh9A15 LEU 545 HD13 -0.16 -0.05 -0.40 -0.04 0.93 0.28 2dh9A15 LEU 545 HD23 -0.59 0.01 -0.16 -0.04 0.89 0.10 2dh9A15 PRO 546 HA -0.27 0.08 0.40 -0.51 4.44 4.13 2dh9A15 PRO 546 HB2 0.03 -0.13 -0.07 -0.04 2.28 2.07 2dh9A15 PRO 546 HB3 -0.06 0.17 0.08 -0.04 2.02 2.16 2dh9A15 PRO 546 HG2 0.15 -0.12 0.02 -0.04 2.03 2.04 2dh9A15 PRO 546 HG3 0.01 0.15 0.05 -0.04 2.03 2.21 2dh9A15 PRO 546 HD2 -0.36 0.02 0.16 -0.04 3.68 3.46 2dh9A15 PRO 546 HD3 -0.15 0.31 0.23 -0.04 3.65 4.00 2dh9A15 PHE 547 H -0.46 0.16 0.14 -0.55 8.34 7.63 2dh9A15 PHE 547 HA 0.06 0.09 0.34 -0.75 4.62 4.36 2dh9A15 PHE 547 HB2 0.03 -0.11 0.17 -0.04 3.15 3.20 2dh9A15 PHE 547 HB3 0.04 0.03 0.03 -0.04 3.06 3.12 2dh9A15 PHE 547 HD2 0.03 -0.02 0.08 -0.04 7.28 7.33 2dh9A15 PHE 547 HE2 0.02 0.08 0.06 -0.04 7.38 7.50 2dh9A15 PHE 547 HZ 0.02 0.01 0.02 -0.04 7.32 7.33 2dh9A15 ASP 548 H 0.22 0.07 -0.09 -0.55 8.40 8.05 2dh9A15 ASP 548 HA 0.09 0.02 0.25 -0.75 4.63 4.24 2dh9A15 ASP 548 HB2 0.09 -0.01 0.06 -0.04 2.71 2.82 2dh9A15 ASP 548 HB3 0.09 0.02 -0.11 -0.04 2.70 2.66 2dh9A15 PHE 549 H 0.22 0.13 -0.96 -0.55 8.34 7.18 2dh9A15 PHE 549 HA -0.02 -0.14 0.32 -0.75 4.62 4.02 2dh9A15 PHE 549 HB2 -0.01 0.05 0.04 -0.04 3.15 3.19 2dh9A15 PHE 549 HB3 -0.00 -0.01 -0.01 -0.04 3.06 3.00 2dh9A15 PHE 549 HD2 -0.01 -0.02 -0.19 -0.04 7.28 7.01 2dh9A15 PHE 549 HE2 -0.01 -0.01 -0.14 -0.04 7.38 7.18 2dh9A15 PHE 549 HZ 0.19 0.06 -0.24 -0.04 7.32 7.29 2dh9A15 THR 550 H -0.39 0.04 0.27 -0.55 8.28 7.65 2dh9A15 THR 550 HA -0.00 0.26 0.92 -0.75 4.39 4.82 2dh9A15 THR 550 HB -0.34 -0.13 0.09 -0.04 4.32 3.90 2dh9A15 THR 550 HG23 -0.03 0.12 -0.00 -0.04 1.22 1.26 2dh9A15 TRP 551 H 0.21 0.24 0.14 -0.55 7.97 8.02 2dh9A15 TRP 551 HA -0.12 0.04 0.20 -0.75 4.62 3.98 2dh9A15 TRP 551 HB2 -0.14 0.19 -0.01 -0.04 3.23 3.22 2dh9A15 TRP 551 HB3 -0.09 -0.03 0.18 -0.04 3.23 3.25 2dh9A15 TRP 551 HD1 -0.05 0.04 0.11 -0.04 7.22 7.29 2dh9A15 TRP 551 HE1 -0.04 0.06 0.03 -0.04 10.20 10.21 2dh9A15 TRP 551 HE3 -0.13 0.05 -0.28 -0.04 7.59 7.18 2dh9A15 TRP 551 HZ2 -0.04 0.03 0.01 -0.04 7.44 7.40 2dh9A15 TRP 551 HZ3 -0.08 0.04 -0.04 -0.04 7.13 7.02 2dh9A15 TRP 551 HH2 -0.05 0.03 -0.00 -0.04 7.19 7.14 2dh9A15 LYS 552 H -1.94 0.07 -0.33 -0.55 8.42 5.67 2dh9A15 LYS 552 HA -1.10 0.08 0.33 -0.75 4.32 2.87 2dh9A15 LYS 552 HB2 -0.99 -0.04 0.05 -0.04 1.87 0.84 2dh9A15 LYS 552 HB3 -0.68 0.05 -0.04 -0.04 1.79 1.07 2dh9A15 LYS 552 HG2 -1.84 0.03 0.04 -0.04 1.46 -0.35 2dh9A15 LYS 552 HG3 -2.56 -0.03 0.04 -0.04 1.46 -1.13 2dh9A15 LYS 552 HD2 -0.31 0.02 0.01 -0.04 1.69 1.37 2dh9A15 LYS 552 HD3 -0.47 0.01 0.00 -0.04 1.68 1.18 2dh9A15 LYS 552 HE2 -0.30 -0.00 -0.02 -0.04 2.99 2.63 2dh9A15 LYS 552 HE3 -0.33 0.00 0.01 -0.04 2.99 2.63 2dh9A15 MET 553 H -0.59 0.27 -0.19 -0.55 8.47 7.41 2dh9A15 MET 553 HA -0.33 -0.02 0.40 -0.75 4.52 3.82 2dh9A15 MET 553 HB2 -1.22 0.11 0.15 -0.04 2.15 1.15 2dh9A15 MET 553 HB3 -0.92 0.03 -0.03 -0.04 2.03 1.06 2dh9A15 MET 553 HG2 -0.34 0.02 0.03 -0.04 2.63 2.30 2dh9A15 MET 553 HG3 -0.45 -0.04 0.10 -0.04 2.56 2.13 2dh9A15 MET 553 HE3 -0.06 0.01 -0.05 -0.04 2.10 1.96 2dh9A15 LEU 554 H -0.48 0.31 -0.18 -0.55 8.37 7.46 2dh9A15 LEU 554 HA 0.17 0.01 0.18 -0.75 4.35 3.95 2dh9A15 LEU 554 HB2 0.15 -0.05 -0.11 -0.04 1.64 1.59 2dh9A15 LEU 554 HB3 -0.11 0.11 -0.05 -0.04 1.64 1.55 2dh9A15 LEU 554 HG -0.58 0.04 -0.19 -0.04 1.64 0.87 2dh9A15 LEU 554 HD13 -0.25 -0.01 -0.20 -0.04 0.93 0.43 2dh9A15 LEU 554 HD23 -0.21 -0.05 -0.08 -0.04 0.89 0.51 2dh9A15 LYS 555 H -0.15 0.38 -0.56 -0.55 8.42 7.54 2dh9A15 LYS 555 HA -0.11 0.05 0.42 -0.75 4.32 3.92 2dh9A15 LYS 555 HB2 -0.02 -0.04 -0.03 -0.04 1.87 1.73 2dh9A15 LYS 555 HB3 -0.09 0.12 0.17 -0.04 1.79 1.95 2dh9A15 LYS 555 HG2 -0.03 0.00 -0.33 -0.04 1.46 1.06 2dh9A15 LYS 555 HG3 -0.02 0.01 -0.12 -0.04 1.46 1.28 2dh9A15 LYS 555 HD2 0.09 -0.03 -0.03 -0.04 1.69 1.68 2dh9A15 LYS 555 HD3 -0.04 -0.02 -0.01 -0.04 1.68 1.58 2dh9A15 LYS 555 HE2 0.01 0.09 -0.06 -0.04 2.99 2.99 2dh9A15 LYS 555 HE3 0.05 -0.03 -0.03 -0.04 2.99 2.95 2dh9A15 ASP 556 H -0.12 0.54 0.18 -0.55 8.40 8.45 2dh9A15 ASP 556 HA -0.02 0.03 0.43 -0.75 4.63 4.32 2dh9A15 ASP 556 HB2 -0.13 0.04 0.16 -0.04 2.71 2.74 2dh9A15 ASP 556 HB3 -0.10 -0.07 0.15 -0.04 2.70 2.63 2dh9A15 LYS 557 H -0.02 0.42 0.08 -0.55 8.42 8.35 2dh9A15 LYS 557 HA 0.07 -0.02 0.28 -0.75 4.32 3.89 2dh9A15 LYS 557 HB2 0.10 -0.12 -0.02 -0.04 1.87 1.79 2dh9A15 LYS 557 HB3 0.35 0.14 -0.24 -0.04 1.79 1.99 2dh9A15 LYS 557 HG2 0.46 -0.05 -0.16 -0.04 1.46 1.67 2dh9A15 LYS 557 HG3 0.27 0.05 -0.40 -0.04 1.46 1.34 2dh9A15 LYS 557 HD2 0.03 0.03 -0.06 -0.04 1.69 1.65 2dh9A15 LYS 557 HD3 0.07 -0.00 0.08 -0.04 1.68 1.79 2dh9A15 LYS 557 HE2 0.18 -0.05 -0.06 -0.04 2.99 3.02 2dh9A15 LYS 557 HE3 0.12 0.02 -0.06 -0.04 2.99 3.02 2dh9A15 PHE 558 H 0.42 0.31 -0.76 -0.55 8.34 7.75 2dh9A15 PHE 558 HA 0.11 0.03 0.66 -0.75 4.62 4.66 2dh9A15 PHE 558 HB2 0.06 0.30 0.19 -0.04 3.15 3.65 2dh9A15 PHE 558 HB3 0.25 -0.13 0.01 -0.04 3.06 3.15 2dh9A15 PHE 558 HD2 0.23 -0.08 -0.12 -0.04 7.28 7.26 2dh9A15 PHE 558 HE2 0.15 -0.05 -0.15 -0.04 7.38 7.28 2dh9A15 PHE 558 HZ 0.02 -0.05 -0.16 -0.04 7.32 7.10 2dh9A15 ASN 559 H 0.16 0.51 0.15 -0.55 8.53 8.81 2dh9A15 ASN 559 HA 0.13 0.13 0.48 -0.75 4.76 4.75 2dh9A15 ASN 559 HB2 0.02 -0.02 0.16 -0.04 2.88 2.99 2dh9A15 ASN 559 HB3 0.02 0.02 0.10 -0.04 2.79 2.90 2dh9A15 ASN 559 HD21 -0.07 -0.01 0.06 -0.04 7.03 6.97 2dh9A15 ASN 559 HD22 -0.16 -0.05 0.05 -0.04 7.74 7.54 2dh9A15 GLU 560 H 0.08 0.21 -0.95 -0.55 8.60 7.39 2dh9A15 GLU 560 HA 0.03 -0.01 0.35 -0.75 4.29 3.90 2dh9A15 GLU 560 HB2 0.01 0.08 0.06 -0.04 2.09 2.20 2dh9A15 GLU 560 HB3 0.00 -0.06 -0.02 -0.04 1.99 1.87 2dh9A15 GLU 560 HG2 0.01 -0.07 -0.05 -0.04 2.34 2.19 2dh9A15 GLU 560 HG3 0.03 0.15 -0.05 -0.04 2.34 2.43 2dh9A15 CYS 561 H 0.06 0.43 0.00 -0.55 8.50 8.45 2dh9A15 CYS 561 HA -0.01 0.03 0.49 -0.75 4.58 4.34 2dh9A15 CYS 561 HB2 0.05 0.03 0.16 -0.04 2.97 3.16 2dh9A15 CYS 561 HB3 -0.08 -0.08 -0.00 -0.04 2.97 2.77 2dh9A15 GLY 562 H 0.21 0.36 -0.04 -0.55 8.43 8.41 2dh9A15 GLY 562 HA2 0.11 0.17 0.58 -0.51 4.01 4.35 2dh9A15 GLY 562 HA3 0.12 -0.12 0.26 -0.51 4.01 3.76 2dh9A15 HIS 563 H 0.30 0.03 0.13 -0.55 8.41 8.33 2dh9A15 HIS 563 HA 0.12 0.17 0.67 -0.75 4.63 4.84 2dh9A15 HIS 563 HB2 0.09 0.04 0.09 -0.04 3.26 3.44 2dh9A15 HIS 563 HB3 0.12 -0.14 0.18 -0.04 3.20 3.31 2dh9A15 HIS 563 HD2 0.05 -0.01 -0.01 -0.04 6.97 6.96 2dh9A15 HIS 563 HE1 0.03 0.05 -0.08 -0.04 7.75 7.70 2dh9A15 VAL 564 H 0.02 0.21 0.18 -0.55 8.24 8.11 2dh9A15 VAL 564 HA -0.20 0.21 0.70 -0.75 4.13 4.09 2dh9A15 VAL 564 HB -0.03 -0.04 0.10 -0.04 2.12 2.10 2dh9A15 VAL 564 HG13 -0.15 -0.05 -0.20 -0.04 0.97 0.53 2dh9A15 VAL 564 HG23 -0.04 0.04 -0.06 -0.04 0.95 0.85 2dh9A15 LEU 565 H -0.06 0.41 0.13 -0.55 8.37 8.30 2dh9A15 LEU 565 HA 0.15 0.15 0.65 -0.75 4.35 4.54 2dh9A15 LEU 565 HB2 0.04 -0.05 -0.11 -0.04 1.64 1.47 2dh9A15 LEU 565 HB3 0.05 0.00 -0.07 -0.04 1.64 1.58 2dh9A15 LEU 565 HG 0.05 -0.01 -0.27 -0.04 1.64 1.37 2dh9A15 LEU 565 HD13 0.01 0.05 -0.30 -0.04 0.93 0.65 2dh9A15 LEU 565 HD23 -0.08 0.01 -0.12 -0.04 0.89 0.66 2dh9A15 TYR 566 H 0.01 0.15 0.13 -0.55 8.29 8.03 2dh9A15 TYR 566 HA -0.03 0.22 0.78 -0.75 4.56 4.78 2dh9A15 TYR 566 HB2 -0.04 0.10 -0.14 -0.04 3.06 2.94 2dh9A15 TYR 566 HB3 -0.06 -0.10 -0.00 -0.04 2.98 2.78 2dh9A15 TYR 566 HD2 -0.05 0.01 -0.10 -0.04 7.15 6.96 2dh9A15 TYR 566 HE2 -0.06 0.01 -0.08 -0.04 6.85 6.68 2dh9A15 ALA 567 H -0.88 0.23 0.05 -0.55 8.40 7.25 2dh9A15 ALA 567 HA -0.46 0.24 0.63 -0.75 4.34 3.99 2dh9A15 ALA 567 HB3 -0.17 0.02 -0.16 -0.04 1.41 1.06 2dh9A15 ASP 568 H -0.36 0.39 0.20 -0.55 8.40 8.08 2dh9A15 ASP 568 HA -0.10 0.07 0.72 -0.75 4.63 4.56 2dh9A15 ASP 568 HB2 -0.38 0.02 -0.26 -0.04 2.71 2.06 2dh9A15 ASP 568 HB3 -0.02 -0.01 -0.05 -0.04 2.70 2.58 2dh9A15 ILE 569 H 0.04 0.12 0.12 -0.55 8.25 7.99 2dh9A15 ILE 569 HA 0.00 0.12 0.63 -0.75 4.18 4.18 2dh9A15 ILE 569 HB 0.10 -0.05 0.19 -0.04 1.89 2.09 2dh9A15 ILE 569 HG12 0.17 -0.18 -0.01 -0.04 1.49 1.43 2dh9A15 ILE 569 HG13 0.16 0.13 -0.04 -0.04 1.21 1.42 2dh9A15 ILE 569 HG23 0.09 0.04 -0.17 -0.04 0.93 0.86 2dh9A15 ILE 569 HD13 0.19 0.02 -0.33 -0.04 0.88 0.72 2dh9A15 LYS 570 H -0.05 0.16 0.54 -0.55 8.42 8.51 2dh9A15 LYS 570 HA 0.03 -0.06 0.38 -0.75 4.32 3.92 2dh9A15 LYS 570 HB2 -0.03 0.08 -0.20 -0.04 1.87 1.68 2dh9A15 LYS 570 HB3 0.10 0.03 -0.04 -0.04 1.79 1.84 2dh9A15 LYS 570 HG2 -0.04 -0.06 0.05 -0.04 1.46 1.36 2dh9A15 LYS 570 HG3 0.03 0.02 -0.06 -0.04 1.46 1.41 2dh9A15 LYS 570 HD2 0.12 0.06 -0.02 -0.04 1.69 1.80 2dh9A15 LYS 570 HD3 0.07 -0.04 -0.00 -0.04 1.68 1.67 2dh9A15 LYS 570 HE2 0.11 -0.04 -0.04 -0.04 2.99 2.98 2dh9A15 LYS 570 HE3 0.23 0.02 -0.04 -0.04 2.99 3.16 2dh9A15 MET 571 H 0.04 0.07 0.30 -0.55 8.47 8.33 2dh9A15 MET 571 HA 0.06 0.05 0.74 -0.75 4.52 4.62 2dh9A15 MET 571 HB2 0.03 -0.06 0.03 -0.04 2.15 2.11 2dh9A15 MET 571 HB3 0.04 -0.05 -0.17 -0.04 2.03 1.82 2dh9A15 MET 571 HG2 0.06 -0.05 -0.13 -0.04 2.63 2.46 2dh9A15 MET 571 HG3 0.04 0.28 0.11 -0.04 2.56 2.94 2dh9A15 MET 571 HE3 0.04 -0.06 -0.21 -0.04 2.10 1.82 2dh9A15 GLU 572 H 0.05 0.82 0.20 -0.55 8.60 9.13 2dh9A15 GLU 572 HA 0.04 0.08 0.78 -0.75 4.29 4.44 2dh9A15 GLU 572 HB2 0.06 0.06 -0.21 -0.04 2.09 1.96 2dh9A15 GLU 572 HB3 0.05 0.02 0.12 -0.04 1.99 2.13 2dh9A15 GLU 572 HG2 0.03 -0.01 -0.12 -0.04 2.34 2.20 2dh9A15 GLU 572 HG3 0.04 0.00 0.06 -0.04 2.34 2.39 2dh9A15 ASN 573 H 0.03 0.20 0.11 -0.55 8.53 8.31 2dh9A15 ASN 573 HA 0.02 0.06 0.34 -0.75 4.76 4.42 2dh9A15 ASN 573 HB2 0.02 -0.02 -0.21 -0.04 2.88 2.63 2dh9A15 ASN 573 HB3 0.02 0.18 0.36 -0.04 2.79 3.31 2dh9A15 ASN 573 HD21 0.02 0.03 0.05 -0.04 7.03 7.09 2dh9A15 ASN 573 HD22 0.01 -0.00 0.05 -0.04 7.74 7.76 2dh9A15 GLY 574 H 0.02 0.04 -0.23 -0.55 8.43 7.72 2dh9A15 GLY 574 HA2 0.02 -0.00 0.28 -0.51 4.01 3.80 2dh9A15 GLY 574 HA3 0.01 0.19 0.61 -0.51 4.01 4.31 2dh9A15 LYS 575 H 0.03 0.24 -0.77 -0.55 8.42 7.36 2dh9A15 LYS 575 HA 0.02 0.16 0.81 -0.75 4.32 4.55 2dh9A15 LYS 575 HB2 0.02 0.00 0.03 -0.04 1.87 1.88 2dh9A15 LYS 575 HB3 0.01 0.03 -0.03 -0.04 1.79 1.76 2dh9A15 LYS 575 HG2 0.04 0.14 0.06 -0.04 1.46 1.65 2dh9A15 LYS 575 HG3 0.06 -0.11 -0.22 -0.04 1.46 1.15 2dh9A15 LYS 575 HD2 0.07 -0.02 -0.11 -0.04 1.69 1.59 2dh9A15 LYS 575 HD3 0.07 0.00 -0.09 -0.04 1.68 1.62 2dh9A15 LYS 575 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 2dh9A15 LYS 575 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 2dh9A15 SER 576 H 0.08 0.17 0.14 -0.55 8.46 8.31 2dh9A15 SER 576 HA 0.10 0.08 0.64 -0.75 4.49 4.56 2dh9A15 SER 576 HB2 0.16 0.01 0.03 -0.04 3.95 4.10 2dh9A15 SER 576 HB3 0.12 0.04 0.09 -0.04 3.93 4.14 2dh9A15 LYS 577 H 0.09 0.32 0.21 -0.55 8.42 8.48 2dh9A15 LYS 577 HA 0.11 0.17 0.64 -0.75 4.32 4.48 2dh9A15 LYS 577 HB2 0.08 0.08 0.08 -0.04 1.87 2.06 2dh9A15 LYS 577 HB3 0.07 -0.00 0.15 -0.04 1.79 1.96 2dh9A15 LYS 577 HG2 0.07 0.01 0.00 -0.04 1.46 1.51 2dh9A15 LYS 577 HG3 0.06 -0.01 -0.02 -0.04 1.46 1.45 2dh9A15 LYS 577 HD2 0.09 0.03 -0.15 -0.04 1.69 1.62 2dh9A15 LYS 577 HD3 0.06 0.07 -0.07 -0.04 1.68 1.70 2dh9A15 LYS 577 HE2 0.05 -0.00 0.01 -0.04 2.99 3.01 2dh9A15 LYS 577 HE3 0.06 -0.01 -0.02 -0.04 2.99 2.98 2dh9A15 GLY 578 H 0.09 0.07 -0.75 -0.55 8.43 7.30 2dh9A15 GLY 578 HA2 -0.01 0.05 0.15 -0.51 4.01 3.69 2dh9A15 GLY 578 HA3 -0.08 0.21 0.36 -0.51 4.01 4.00 2dh9A15 CYS 579 H 0.02 0.17 -0.15 -0.55 8.50 8.00 2dh9A15 CYS 579 HA -0.04 0.11 0.53 -0.75 4.58 4.43 2dh9A15 CYS 579 HB2 0.24 0.12 0.24 -0.04 2.97 3.52 2dh9A15 CYS 579 HB3 0.11 0.09 -0.10 -0.04 2.97 3.03 2dh9A15 GLY 580 H -0.35 0.46 0.30 -0.55 8.43 8.30 2dh9A15 GLY 580 HA2 -0.26 -0.03 0.68 -0.51 4.01 3.89 2dh9A15 GLY 580 HA3 -0.19 0.08 0.49 -0.51 4.01 3.87 2dh9A15 VAL 581 H -0.23 0.32 0.34 -0.55 8.24 8.12 2dh9A15 VAL 581 HA -0.29 0.28 1.03 -0.75 4.13 4.39 2dh9A15 VAL 581 HB 0.03 -0.02 0.06 -0.04 2.12 2.15 2dh9A15 VAL 581 HG13 -0.14 0.05 -0.08 -0.04 0.97 0.76 2dh9A15 VAL 581 HG23 0.08 -0.02 0.02 -0.04 0.95 0.99 2dh9A15 VAL 582 H -0.04 0.44 0.12 -0.55 8.24 8.21 2dh9A15 VAL 582 HA -0.22 0.25 0.79 -0.75 4.13 4.19 2dh9A15 VAL 582 HB -0.08 -0.08 0.01 -0.04 2.12 1.93 2dh9A15 VAL 582 HG13 -0.49 0.03 -0.13 -0.04 0.97 0.34 2dh9A15 VAL 582 HG23 -0.77 0.00 -0.29 -0.04 0.95 -0.14 2dh9A15 LYS 583 H -0.08 0.27 0.19 -0.55 8.42 8.24 2dh9A15 LYS 583 HA 0.04 0.18 0.76 -0.75 4.32 4.54 2dh9A15 LYS 583 HB2 0.07 -0.11 0.11 -0.04 1.87 1.90 2dh9A15 LYS 583 HB3 0.03 0.11 -0.03 -0.04 1.79 1.86 2dh9A15 LYS 583 HG2 0.03 0.08 -0.06 -0.04 1.46 1.47 2dh9A15 LYS 583 HG3 0.07 -0.01 -0.10 -0.04 1.46 1.38 2dh9A15 LYS 583 HD2 0.23 -0.05 -0.07 -0.04 1.69 1.76 2dh9A15 LYS 583 HD3 0.02 0.06 -0.07 -0.04 1.68 1.65 2dh9A15 LYS 583 HE2 0.07 -0.16 -0.44 -0.04 2.99 2.42 2dh9A15 LYS 583 HE3 0.22 -0.02 -0.23 -0.04 2.99 2.92 2dh9A15 PHE 584 H 0.16 0.36 0.12 -0.55 8.34 8.42 2dh9A15 PHE 584 HA 0.10 0.27 0.92 -0.75 4.62 5.16 2dh9A15 PHE 584 HB2 0.07 0.09 0.04 -0.04 3.15 3.30 2dh9A15 PHE 584 HB3 0.07 -0.19 0.11 -0.04 3.06 3.00 2dh9A15 PHE 584 HD2 0.11 0.04 -0.15 -0.04 7.28 7.24 2dh9A15 PHE 584 HE2 0.17 0.01 -0.22 -0.04 7.38 7.31 2dh9A15 PHE 584 HZ 0.35 0.00 -0.10 -0.04 7.32 7.53 2dh9A15 GLU 585 H 0.25 0.23 0.21 -0.55 8.60 8.74 2dh9A15 GLU 585 HA 0.04 0.12 0.52 -0.75 4.29 4.21 2dh9A15 GLU 585 HB2 0.06 -0.07 0.20 -0.04 2.09 2.23 2dh9A15 GLU 585 HB3 -0.00 0.02 0.03 -0.04 1.99 2.00 2dh9A15 GLU 585 HG2 -0.13 0.02 0.00 -0.04 2.34 2.19 2dh9A15 GLU 585 HG3 -0.14 0.07 0.04 -0.04 2.34 2.28 2dh9A15 SER 586 H 0.11 0.04 0.07 -0.55 8.46 8.13 2dh9A15 SER 586 HA 0.04 0.30 0.81 -0.75 4.49 4.89 2dh9A15 SER 586 HB2 0.03 -0.02 0.11 -0.04 3.95 4.02 2dh9A15 SER 586 HB3 0.02 -0.15 0.08 -0.04 3.93 3.83 2dh9A15 PRO 587 HA 0.06 0.06 0.61 -0.51 4.44 4.66 2dh9A15 PRO 587 HB2 0.02 0.03 0.05 -0.04 2.28 2.33 2dh9A15 PRO 587 HB3 0.03 0.07 0.26 -0.04 2.02 2.35 2dh9A15 PRO 587 HG2 0.01 -0.01 0.14 -0.04 2.03 2.13 2dh9A15 PRO 587 HG3 0.02 0.06 0.12 -0.04 2.03 2.19 2dh9A15 PRO 587 HD2 0.02 0.06 0.26 -0.04 3.68 3.98 2dh9A15 PRO 587 HD3 0.03 0.14 0.22 -0.04 3.65 4.01 2dh9A15 GLU 588 H 0.00 0.17 -0.06 -0.55 8.60 8.16 2dh9A15 GLU 588 HA -0.02 0.12 0.43 -0.75 4.29 4.07 2dh9A15 GLU 588 HB2 -0.02 0.08 0.02 -0.04 2.09 2.12 2dh9A15 GLU 588 HB3 -0.01 0.04 0.09 -0.04 1.99 2.07 2dh9A15 GLU 588 HG2 -0.00 -0.08 0.05 -0.04 2.34 2.27 2dh9A15 GLU 588 HG3 -0.03 0.03 -0.10 -0.04 2.34 2.20 2dh9A15 VAL 589 H -0.05 0.05 -0.36 -0.55 8.24 7.34 2dh9A15 VAL 589 HA -0.18 0.14 0.37 -0.75 4.13 3.71 2dh9A15 VAL 589 HB -0.12 0.07 0.06 -0.04 2.12 2.09 2dh9A15 VAL 589 HG13 -0.42 0.02 -0.05 -0.04 0.97 0.47 2dh9A15 VAL 589 HG23 -0.02 -0.02 0.05 -0.04 0.95 0.92 2dh9A15 ALA 590 H -0.09 0.21 -0.37 -0.55 8.40 7.60 2dh9A15 ALA 590 HA -0.22 0.10 0.35 -0.75 4.34 3.82 2dh9A15 ALA 590 HB3 0.16 0.10 0.02 -0.04 1.41 1.65 2dh9A15 GLU 591 H -0.02 0.41 -0.04 -0.55 8.60 8.40 2dh9A15 GLU 591 HA 0.02 0.02 0.36 -0.75 4.29 3.93 2dh9A15 GLU 591 HB2 0.00 -0.00 0.09 -0.04 2.09 2.14 2dh9A15 GLU 591 HB3 0.01 0.02 0.13 -0.04 1.99 2.10 2dh9A15 GLU 591 HG2 -0.03 0.18 -0.02 -0.04 2.34 2.43 2dh9A15 GLU 591 HG3 -0.02 -0.00 -0.24 -0.04 2.34 2.03 2dh9A15 ARG 592 H -0.11 0.22 -0.69 -0.55 8.46 7.33 2dh9A15 ARG 592 HA -0.06 0.05 0.43 -0.75 4.34 4.01 2dh9A15 ARG 592 HB2 -0.09 0.11 0.11 -0.04 1.90 1.99 2dh9A15 ARG 592 HB3 -0.18 0.14 0.14 -0.04 1.80 1.86 2dh9A15 ARG 592 HG2 -0.08 -0.05 -0.10 -0.04 1.67 1.41 2dh9A15 ARG 592 HG3 -0.06 -0.03 0.02 -0.04 1.67 1.57 2dh9A15 ARG 592 HD2 -0.09 -0.08 -0.03 -0.04 3.22 2.98 2dh9A15 ARG 592 HD3 -0.09 0.03 -0.08 -0.04 3.22 3.03 2dh9A15 ALA 593 H -0.20 0.52 -0.14 -0.55 8.40 8.04 2dh9A15 ALA 593 HA -0.11 0.03 0.52 -0.75 4.34 4.03 2dh9A15 ALA 593 HB3 -0.03 0.04 0.09 -0.04 1.41 1.47 2dh9A15 CYS 594 H -0.01 0.28 -0.46 -0.55 8.50 7.76 2dh9A15 CYS 594 HA 0.04 -0.03 0.38 -0.75 4.58 4.22 2dh9A15 CYS 594 HB2 0.02 0.16 0.09 -0.04 2.97 3.20 2dh9A15 CYS 594 HB3 0.04 0.15 0.10 -0.04 2.97 3.22 2dh9A15 ARG 595 H -0.03 0.21 -0.49 -0.55 8.46 7.59 2dh9A15 ARG 595 HA -0.02 0.14 0.73 -0.75 4.34 4.44 2dh9A15 ARG 595 HB2 -0.03 0.10 0.15 -0.04 1.90 2.08 2dh9A15 ARG 595 HB3 -0.02 -0.03 0.03 -0.04 1.80 1.74 2dh9A15 ARG 595 HG2 -0.01 -0.03 0.01 -0.04 1.67 1.60 2dh9A15 ARG 595 HG3 -0.01 0.04 -0.03 -0.04 1.67 1.63 2dh9A15 ARG 595 HD2 -0.01 -0.07 -0.02 -0.04 3.22 3.07 2dh9A15 ARG 595 HD3 -0.02 0.01 0.02 -0.04 3.22 3.18 2dh9A15 MET 596 H -0.06 0.25 0.01 -0.55 8.47 8.13 2dh9A15 MET 596 HA -0.05 0.09 0.52 -0.75 4.52 4.33 2dh9A15 MET 596 HB2 -0.09 -0.07 0.17 -0.04 2.15 2.12 2dh9A15 MET 596 HB3 -0.07 -0.02 0.02 -0.04 2.03 1.92 2dh9A15 MET 596 HG2 -0.04 -0.03 -0.00 -0.04 2.63 2.52 2dh9A15 MET 596 HG3 -0.06 0.21 0.09 -0.04 2.56 2.76 2dh9A15 MET 596 HE3 -0.06 -0.00 -0.03 -0.04 2.10 1.97 2dh9A15 MET 597 H -0.12 0.41 0.07 -0.55 8.47 8.28 2dh9A15 MET 597 HA -0.16 0.01 0.39 -0.75 4.52 4.01 2dh9A15 MET 597 HB2 -0.15 0.05 0.16 -0.04 2.15 2.17 2dh9A15 MET 597 HB3 -0.29 -0.10 -0.03 -0.04 2.03 1.56 2dh9A15 MET 597 HG2 -0.31 0.06 0.19 -0.04 2.63 2.53 2dh9A15 MET 597 HG3 -1.27 -0.07 -0.01 -0.04 2.56 1.17 2dh9A15 MET 597 HE3 -0.51 -0.00 -0.15 -0.04 2.10 1.40 2dh9A15 ASN 598 H -0.04 0.17 -0.11 -0.55 8.53 8.01 2dh9A15 ASN 598 HA -0.01 -0.16 0.40 -0.75 4.76 4.24 2dh9A15 ASN 598 HB2 0.01 0.16 0.41 -0.04 2.88 3.42 2dh9A15 ASN 598 HB3 -0.01 0.16 0.21 -0.04 2.79 3.11 2dh9A15 ASN 598 HD21 0.02 0.37 0.11 -0.04 7.03 7.48 2dh9A15 ASN 598 HD22 0.01 -0.09 0.00 -0.04 7.74 7.62 2dh9A15 GLY 599 H -0.02 0.28 0.35 -0.55 8.43 8.49 2dh9A15 GLY 599 HA2 -0.02 -0.09 0.38 -0.51 4.01 3.77 2dh9A15 GLY 599 HA3 -0.02 0.22 0.86 -0.51 4.01 4.56 2dh9A15 MET 600 H -0.04 0.20 0.14 -0.55 8.47 8.22 2dh9A15 MET 600 HA -0.03 0.11 0.86 -0.75 4.52 4.71 2dh9A15 MET 600 HB2 -0.03 -0.08 -0.01 -0.04 2.15 1.99 2dh9A15 MET 600 HB3 -0.05 0.26 0.09 -0.04 2.03 2.29 2dh9A15 MET 600 HG2 -0.05 -0.04 0.13 -0.04 2.63 2.63 2dh9A15 MET 600 HG3 -0.04 -0.12 0.03 -0.04 2.56 2.39 2dh9A15 MET 600 HE3 -0.03 -0.03 -0.09 -0.04 2.10 1.90 2dh9A15 LYS 601 H -0.02 0.24 0.08 -0.55 8.42 8.17 2dh9A15 LYS 601 HA -0.03 0.29 0.14 -0.75 4.32 3.97 2dh9A15 LYS 601 HB2 -0.01 0.03 0.12 -0.04 1.87 1.97 2dh9A15 LYS 601 HB3 -0.01 -0.18 -0.20 -0.04 1.79 1.35 2dh9A15 LYS 601 HG2 -0.02 -0.03 -0.24 -0.04 1.46 1.13 2dh9A15 LYS 601 HG3 -0.02 0.12 -0.03 -0.04 1.46 1.49 2dh9A15 LYS 601 HD2 -0.01 0.02 -0.05 -0.04 1.69 1.61 2dh9A15 LYS 601 HD3 -0.01 -0.02 -0.22 -0.04 1.68 1.39 2dh9A15 LYS 601 HE2 -0.01 0.03 -0.05 -0.04 2.99 2.91 2dh9A15 LYS 601 HE3 -0.01 -0.03 -0.06 -0.04 2.99 2.84 2dh9A15 LEU 602 H -0.04 0.77 0.34 -0.55 8.37 8.90 2dh9A15 LEU 602 HA 0.02 0.06 0.54 -0.75 4.35 4.21 2dh9A15 LEU 602 HB2 -0.06 0.06 0.27 -0.04 1.64 1.87 2dh9A15 LEU 602 HB3 0.06 -0.06 0.06 -0.04 1.64 1.65 2dh9A15 LEU 602 HG -0.09 0.21 0.13 -0.04 1.64 1.84 2dh9A15 LEU 602 HD13 -0.27 -0.03 -0.03 -0.04 0.93 0.57 2dh9A15 LEU 602 HD23 0.04 0.00 -0.14 -0.04 0.89 0.74 2dh9A15 SER 603 H 0.01 0.32 0.25 -0.55 8.46 8.49 2dh9A15 SER 603 HA 0.01 0.04 0.31 -0.75 4.49 4.10 2dh9A15 SER 603 HB2 0.03 -0.07 -0.24 -0.04 3.95 3.63 2dh9A15 SER 603 HB3 0.01 0.14 0.19 -0.04 3.93 4.23 2dh9A15 GLY 604 H -0.00 0.16 -0.57 -0.55 8.43 7.46 2dh9A15 GLY 604 HA2 -0.01 0.00 0.17 -0.51 4.01 3.66 2dh9A15 GLY 604 HA3 -0.01 0.19 0.70 -0.51 4.01 4.39 2dh9A15 ARG 605 H -0.02 -0.02 -0.57 -0.55 8.46 7.29 2dh9A15 ARG 605 HA -0.04 0.16 0.92 -0.75 4.34 4.63 2dh9A15 ARG 605 HB2 -0.06 0.04 0.15 -0.04 1.90 1.99 2dh9A15 ARG 605 HB3 -0.08 0.17 0.00 -0.04 1.80 1.86 2dh9A15 ARG 605 HG2 -0.04 0.08 -0.28 -0.04 1.67 1.38 2dh9A15 ARG 605 HG3 -0.04 0.08 -0.27 -0.04 1.67 1.41 2dh9A15 ARG 605 HD2 -0.13 -0.09 -0.08 -0.04 3.22 2.88 2dh9A15 ARG 605 HD3 -0.12 0.05 -0.10 -0.04 3.22 3.01 2dh9A15 GLU 606 H -0.03 0.15 0.06 -0.55 8.60 8.24 2dh9A15 GLU 606 HA -0.03 0.01 0.33 -0.75 4.29 3.85 2dh9A15 GLU 606 HB2 -0.02 -0.02 0.07 -0.04 2.09 2.08 2dh9A15 GLU 606 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.92 2dh9A15 GLU 606 HG2 -0.02 -0.01 -0.02 -0.04 2.34 2.25 2dh9A15 GLU 606 HG3 -0.02 0.01 -0.05 -0.04 2.34 2.24 2dh9A15 ILE 607 H -0.03 0.10 0.13 -0.55 8.25 7.91 2dh9A15 ILE 607 HA -0.03 0.26 0.91 -0.75 4.18 4.56 2dh9A15 ILE 607 HB -0.04 -0.08 0.02 -0.04 1.89 1.76 2dh9A15 ILE 607 HG12 -0.05 0.25 0.15 -0.04 1.49 1.79 2dh9A15 ILE 607 HG13 -0.03 -0.21 -0.04 -0.04 1.21 0.89 2dh9A15 ILE 607 HG23 -0.11 0.02 -0.22 -0.04 0.93 0.58 2dh9A15 ILE 607 HD13 -0.08 -0.02 -0.06 -0.04 0.88 0.68 2dh9A15 ASP 608 H 0.01 0.27 0.14 -0.55 8.40 8.27 2dh9A15 ASP 608 HA 0.01 0.15 1.01 -0.75 4.63 5.05 2dh9A15 ASP 608 HB2 0.02 -0.02 0.10 -0.04 2.71 2.78 2dh9A15 ASP 608 HB3 0.03 0.03 -0.03 -0.04 2.70 2.68 2dh9A15 VAL 609 H 0.03 0.19 0.18 -0.55 8.24 8.08 2dh9A15 VAL 609 HA 0.12 0.35 1.09 -0.75 4.13 4.94 2dh9A15 VAL 609 HB 0.04 0.01 0.28 -0.04 2.12 2.41 2dh9A15 VAL 609 HG13 0.19 0.01 -0.17 -0.04 0.97 0.96 2dh9A15 VAL 609 HG23 0.05 -0.01 -0.18 -0.04 0.95 0.77 2dh9A15 ARG 610 H 0.13 0.46 0.30 -0.55 8.46 8.81 2dh9A15 ARG 610 HA 0.06 0.21 0.96 -0.75 4.34 4.82 2dh9A15 ARG 610 HB2 0.07 0.02 -0.04 -0.04 1.90 1.90 2dh9A15 ARG 610 HB3 0.04 -0.02 0.10 -0.04 1.80 1.88 2dh9A15 ARG 610 HG2 0.05 -0.04 -0.40 -0.04 1.67 1.25 2dh9A15 ARG 610 HG3 0.03 0.01 -0.10 -0.04 1.67 1.56 2dh9A15 ARG 610 HD2 0.03 -0.02 0.01 -0.04 3.22 3.20 2dh9A15 ARG 610 HD3 0.03 0.22 -0.43 -0.04 3.22 3.00 2dh9A15 ILE 611 H 0.06 0.16 0.16 -0.55 8.25 8.08 2dh9A15 ILE 611 HA 0.11 0.04 0.56 -0.75 4.18 4.14 2dh9A15 ILE 611 HB 0.05 0.02 0.18 -0.04 1.89 2.10 2dh9A15 ILE 611 HG12 0.06 0.02 -0.04 -0.04 1.49 1.49 2dh9A15 ILE 611 HG13 0.04 0.01 0.02 -0.04 1.21 1.24 2dh9A15 ILE 611 HG23 0.06 -0.05 -0.17 -0.04 0.93 0.73 2dh9A15 ILE 611 HD13 0.08 0.01 -0.39 -0.04 0.88 0.54 2dh9A15 ASP 612 H 0.13 0.31 0.31 -0.55 8.40 8.60 2dh9A15 ASP 612 HA 0.06 0.17 0.75 -0.75 4.63 4.86 2dh9A15 ASP 612 HB2 0.23 -0.08 -0.09 -0.04 2.71 2.73 2dh9A15 ASP 612 HB3 0.16 0.05 0.11 -0.04 2.70 2.98 2dh9A15 ARG 613 H 0.05 0.21 -0.40 -0.55 8.46 7.77 2dh9A15 ARG 613 HA 0.05 -0.04 0.35 -0.75 4.34 3.94 2dh9A15 ARG 613 HB2 0.03 0.02 -0.07 -0.04 1.90 1.83 2dh9A15 ARG 613 HB3 0.03 -0.03 0.03 -0.04 1.80 1.79 2dh9A15 ARG 613 HG2 0.02 0.01 -0.01 -0.04 1.67 1.65 2dh9A15 ARG 613 HG3 0.02 0.01 -0.06 -0.04 1.67 1.59 2dh9A15 ARG 613 HD2 0.03 -0.06 -0.00 -0.04 3.22 3.15 2dh9A15 ARG 613 HD3 0.03 0.10 0.08 -0.04 3.22 3.39 2dh9A15 ASN 614 H 0.03 0.09 0.15 -0.55 8.53 8.27 2dh9A15 ASN 614 HA 0.02 0.18 0.86 -0.75 4.76 5.07 2dh9A15 ASN 614 HB2 0.03 -0.03 0.23 -0.04 2.88 3.07 2dh9A15 ASN 614 HB3 0.02 -0.02 0.05 -0.04 2.79 2.80 2dh9A15 ASN 614 HD21 0.02 -0.02 0.01 -0.04 7.03 6.99 2dh9A15 ASN 614 HD22 0.04 -0.00 -0.00 -0.04 7.74 7.73 2dh9A15 ALA 615 H 0.01 0.32 -0.00 -0.55 8.40 8.19 2dh9A15 ALA 615 HA 0.01 0.16 0.85 -0.75 4.34 4.60 2dh9A15 ALA 615 HB3 0.01 0.00 -0.07 -0.04 1.41 1.31 2dh9A15 SER 616 H 0.01 0.20 0.07 -0.55 8.46 8.19 2dh9A15 SER 616 HA 0.00 0.04 0.30 -0.75 4.49 4.08 2dh9A15 SER 616 HB2 0.00 -0.07 -0.12 -0.04 3.95 3.72 2dh9A15 SER 616 HB3 0.00 0.22 0.17 -0.04 3.93 4.28 2dh9A15 GLY 617 H 0.00 -0.07 -0.32 -0.55 8.43 7.49 2dh9A15 GLY 617 HA2 0.00 0.08 0.26 -0.51 4.01 3.85 2dh9A15 GLY 617 HA3 0.00 0.00 0.27 -0.51 4.01 3.78 2dh9A15 PRO 618 HA 0.00 0.04 0.43 -0.51 4.44 4.40 2dh9A15 PRO 618 HB2 0.00 0.11 -0.03 -0.04 2.28 2.32 2dh9A15 PRO 618 HB3 0.00 -0.00 0.09 -0.04 2.02 2.07 2dh9A15 PRO 618 HG2 0.00 0.05 0.01 -0.04 2.03 2.05 2dh9A15 PRO 618 HG3 0.01 0.02 0.05 -0.04 2.03 2.06 2dh9A15 PRO 618 HD2 0.01 0.05 0.15 -0.04 3.68 3.84 2dh9A15 PRO 618 HD3 0.00 0.12 0.14 -0.04 3.65 3.87 2dh9A15 SER 619 H -0.00 0.05 0.13 -0.55 8.46 8.09 2dh9A15 SER 619 HA -0.00 0.04 0.30 -0.75 4.49 4.08 2dh9A15 SER 619 HB2 -0.00 0.03 0.00 -0.04 3.95 3.94 2dh9A15 SER 619 HB3 -0.00 0.00 0.13 -0.04 3.93 4.02 2dh9A15 SER 620 H -0.00 0.20 0.07 -0.55 8.46 8.18 2dh9A15 SER 620 HA -0.00 0.03 0.74 -0.75 4.49 4.51 2dh9A15 SER 620 HB2 -0.01 -0.07 0.01 -0.04 3.95 3.85 2dh9A15 SER 620 HB3 -0.00 0.17 -0.18 -0.04 3.93 3.88 2dh9A15 GLY 621 H -0.00 0.09 -0.02 -0.55 8.43 7.95 2dh9A15 GLY 621 HA2 -0.00 0.04 0.18 -0.51 4.01 3.72 2dh9A15 GLY 621 HA3 -0.00 0.12 0.20 -0.51 4.01 3.81