============================================================================= 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 -5.642 3.414 11.618 -99.200 -91.000 PHE 15 1.000 3.216 -10.504 13.220 -99.200 -91.000 PHE 17 1.000 2.424 -3.415 4.302 -99.200 -91.000 TRP 19 1.040 10.122 2.156 7.123 -99.200 -91.000 TRP6 19 1.020 10.732 3.766 5.510 -99.200 -91.000 PHE 26 1.000 -1.368 1.735 1.166 -99.200 -91.000 HIS 31 0.900 4.212 12.324 -3.652 -99.200 -91.000 TYR 34 0.840 2.916 9.569 8.769 -99.200 -91.000 PHE 52 1.000 -2.814 8.082 -0.779 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dh9A11 GLY 533 HA2 0.01 0.00 0.17 -0.51 4.01 3.68 2dh9A11 GLY 533 HA3 0.01 -0.03 0.21 -0.51 4.01 3.69 2dh9A11 SER 534 H 0.01 0.15 0.10 -0.55 8.46 8.18 2dh9A11 SER 534 HA 0.02 0.12 0.87 -0.75 4.49 4.74 2dh9A11 SER 534 HB2 0.02 0.04 0.06 -0.04 3.95 4.03 2dh9A11 SER 534 HB3 0.03 -0.10 0.07 -0.04 3.93 3.89 2dh9A11 SER 535 H 0.02 0.06 0.20 -0.55 8.46 8.20 2dh9A11 SER 535 HA 0.02 0.16 0.58 -0.75 4.49 4.48 2dh9A11 SER 535 HB2 0.01 0.03 0.10 -0.04 3.95 4.06 2dh9A11 SER 535 HB3 0.02 -0.07 0.19 -0.04 3.93 4.03 2dh9A11 GLY 536 H 0.03 0.03 0.08 -0.55 8.43 8.02 2dh9A11 GLY 536 HA2 0.03 0.04 0.33 -0.51 4.01 3.89 2dh9A11 GLY 536 HA3 0.03 0.14 0.41 -0.51 4.01 4.07 2dh9A11 SER 537 H 0.03 0.12 0.13 -0.55 8.46 8.20 2dh9A11 SER 537 HA 0.07 0.10 0.43 -0.75 4.49 4.34 2dh9A11 SER 537 HB2 0.05 0.07 0.14 -0.04 3.95 4.17 2dh9A11 SER 537 HB3 0.03 -0.04 0.13 -0.04 3.93 4.01 2dh9A11 SER 538 H 0.11 0.23 0.21 -0.55 8.46 8.46 2dh9A11 SER 538 HA 0.07 0.18 0.82 -0.75 4.49 4.80 2dh9A11 SER 538 HB2 0.09 -0.07 0.03 -0.04 3.95 3.97 2dh9A11 SER 538 HB3 0.09 0.02 -0.00 -0.04 3.93 4.00 2dh9A11 GLY 539 H 0.09 0.31 0.22 -0.55 8.43 8.50 2dh9A11 GLY 539 HA2 0.14 0.22 1.16 -0.51 4.01 5.02 2dh9A11 GLY 539 HA3 0.10 -0.02 0.28 -0.51 4.01 3.86 2dh9A11 ILE 540 H 0.19 0.70 0.40 -0.55 8.25 8.98 2dh9A11 ILE 540 HA 0.17 -0.03 0.82 -0.75 4.18 4.39 2dh9A11 ILE 540 HB 0.20 0.18 0.16 -0.04 1.89 2.38 2dh9A11 ILE 540 HG12 0.30 0.13 0.13 -0.04 1.49 2.02 2dh9A11 ILE 540 HG13 0.16 -0.10 -0.32 -0.04 1.21 0.90 2dh9A11 ILE 540 HG23 0.24 0.01 -0.02 -0.04 0.93 1.12 2dh9A11 ILE 540 HD13 0.48 -0.01 -0.14 -0.04 0.88 1.18 2dh9A11 PHE 541 H 0.23 0.73 0.41 -0.55 8.34 9.15 2dh9A11 PHE 541 HA 0.05 0.19 1.08 -0.75 4.62 5.19 2dh9A11 PHE 541 HB2 0.05 -0.02 -0.14 -0.04 3.15 2.99 2dh9A11 PHE 541 HB3 0.04 -0.01 0.00 -0.04 3.06 3.05 2dh9A11 PHE 541 HD2 0.03 -0.01 -0.13 -0.04 7.28 7.13 2dh9A11 PHE 541 HE2 0.03 -0.02 -0.02 -0.04 7.38 7.32 2dh9A11 PHE 541 HZ 0.02 -0.04 -0.05 -0.04 7.32 7.21 2dh9A11 VAL 542 H -0.33 0.62 0.36 -0.55 8.24 8.35 2dh9A11 VAL 542 HA 0.13 0.30 0.93 -0.75 4.13 4.73 2dh9A11 VAL 542 HB -0.06 -0.09 -0.11 -0.04 2.12 1.81 2dh9A11 VAL 542 HG13 0.03 -0.02 -0.17 -0.04 0.97 0.78 2dh9A11 VAL 542 HG23 0.14 0.02 -0.33 -0.04 0.95 0.74 2dh9A11 ARG 543 H 0.06 0.18 0.19 -0.55 8.46 8.34 2dh9A11 ARG 543 HA 0.07 0.25 1.03 -0.75 4.34 4.93 2dh9A11 ARG 543 HB2 0.09 0.00 0.07 -0.04 1.90 2.03 2dh9A11 ARG 543 HB3 0.05 0.02 0.08 -0.04 1.80 1.91 2dh9A11 ARG 543 HG2 0.19 0.07 0.15 -0.04 1.67 2.04 2dh9A11 ARG 543 HG3 0.31 -0.02 -0.22 -0.04 1.67 1.70 2dh9A11 ARG 543 HD2 0.04 -0.01 -0.02 -0.04 3.22 3.19 2dh9A11 ARG 543 HD3 0.04 -0.01 -0.02 -0.04 3.22 3.20 2dh9A11 ASN 544 H 0.00 0.32 0.31 -0.55 8.53 8.62 2dh9A11 ASN 544 HA -0.05 0.00 0.39 -0.75 4.76 4.34 2dh9A11 ASN 544 HB2 -0.02 -0.15 -0.16 -0.04 2.88 2.50 2dh9A11 ASN 544 HB3 -0.05 0.29 0.59 -0.04 2.79 3.58 2dh9A11 ASN 544 HD21 -0.09 0.01 -0.08 -0.04 7.03 6.82 2dh9A11 ASN 544 HD22 -0.07 -0.12 -0.01 -0.04 7.74 7.50 2dh9A11 LEU 545 H -0.09 0.37 0.12 -0.55 8.37 8.23 2dh9A11 LEU 545 HA -0.24 0.26 0.73 -0.75 4.35 4.35 2dh9A11 LEU 545 HB2 -0.11 -0.21 -0.29 -0.04 1.64 0.99 2dh9A11 LEU 545 HB3 -0.30 0.06 -0.20 -0.04 1.64 1.16 2dh9A11 LEU 545 HG -0.20 0.03 -0.58 -0.04 1.64 0.84 2dh9A11 LEU 545 HD13 -0.15 -0.02 -0.39 -0.04 0.93 0.34 2dh9A11 LEU 545 HD23 -0.85 0.01 -0.17 -0.04 0.89 -0.16 2dh9A11 PRO 546 HA -0.29 0.08 0.41 -0.51 4.44 4.12 2dh9A11 PRO 546 HB2 0.02 -0.13 -0.07 -0.04 2.28 2.06 2dh9A11 PRO 546 HB3 -0.07 0.20 0.03 -0.04 2.02 2.14 2dh9A11 PRO 546 HG2 0.15 -0.13 0.04 -0.04 2.03 2.05 2dh9A11 PRO 546 HG3 0.01 0.13 -0.02 -0.04 2.03 2.11 2dh9A11 PRO 546 HD2 -0.35 0.03 0.15 -0.04 3.68 3.47 2dh9A11 PRO 546 HD3 -0.16 0.32 0.19 -0.04 3.65 3.95 2dh9A11 PHE 547 H -0.62 0.18 0.17 -0.55 8.34 7.52 2dh9A11 PHE 547 HA 0.06 0.07 0.33 -0.75 4.62 4.33 2dh9A11 PHE 547 HB2 0.03 -0.08 0.12 -0.04 3.15 3.18 2dh9A11 PHE 547 HB3 0.03 0.03 0.04 -0.04 3.06 3.12 2dh9A11 PHE 547 HD2 0.03 -0.01 0.09 -0.04 7.28 7.35 2dh9A11 PHE 547 HE2 0.02 0.06 0.07 -0.04 7.38 7.49 2dh9A11 PHE 547 HZ 0.02 0.01 0.04 -0.04 7.32 7.34 2dh9A11 ASP 548 H 0.19 0.05 -0.23 -0.55 8.40 7.86 2dh9A11 ASP 548 HA 0.10 0.02 0.26 -0.75 4.63 4.25 2dh9A11 ASP 548 HB2 0.05 0.00 0.02 -0.04 2.71 2.74 2dh9A11 ASP 548 HB3 0.09 -0.01 0.04 -0.04 2.70 2.78 2dh9A11 PHE 549 H 0.22 0.32 -0.58 -0.55 8.34 7.75 2dh9A11 PHE 549 HA -0.02 -0.15 0.31 -0.75 4.62 4.01 2dh9A11 PHE 549 HB2 -0.01 0.08 0.06 -0.04 3.15 3.24 2dh9A11 PHE 549 HB3 0.00 -0.04 -0.08 -0.04 3.06 2.91 2dh9A11 PHE 549 HD2 -0.01 -0.02 -0.19 -0.04 7.28 7.02 2dh9A11 PHE 549 HE2 -0.00 -0.00 -0.14 -0.04 7.38 7.19 2dh9A11 PHE 549 HZ 0.19 0.06 -0.24 -0.04 7.32 7.30 2dh9A11 THR 550 H -0.41 0.02 0.25 -0.55 8.28 7.58 2dh9A11 THR 550 HA -0.01 0.28 0.92 -0.75 4.39 4.82 2dh9A11 THR 550 HB -0.31 -0.12 0.11 -0.04 4.32 3.95 2dh9A11 THR 550 HG23 -0.05 0.11 0.03 -0.04 1.22 1.27 2dh9A11 TRP 551 H 0.20 0.24 0.14 -0.55 7.97 8.01 2dh9A11 TRP 551 HA -0.13 0.04 0.21 -0.75 4.62 3.98 2dh9A11 TRP 551 HB2 -0.14 0.22 0.06 -0.04 3.23 3.33 2dh9A11 TRP 551 HB3 -0.09 -0.02 0.18 -0.04 3.23 3.25 2dh9A11 TRP 551 HD1 -0.06 0.04 0.11 -0.04 7.22 7.28 2dh9A11 TRP 551 HE1 -0.05 0.06 0.03 -0.04 10.20 10.21 2dh9A11 TRP 551 HE3 -0.13 0.07 -0.24 -0.04 7.59 7.24 2dh9A11 TRP 551 HZ2 -0.04 0.03 0.01 -0.04 7.44 7.39 2dh9A11 TRP 551 HZ3 -0.08 0.04 -0.04 -0.04 7.13 7.01 2dh9A11 TRP 551 HH2 -0.05 0.03 -0.00 -0.04 7.19 7.13 2dh9A11 LYS 552 H -1.85 0.07 -0.29 -0.55 8.42 5.80 2dh9A11 LYS 552 HA -1.13 0.09 0.33 -0.75 4.32 2.86 2dh9A11 LYS 552 HB2 -0.99 -0.05 0.06 -0.04 1.87 0.85 2dh9A11 LYS 552 HB3 -0.66 0.05 -0.05 -0.04 1.79 1.09 2dh9A11 LYS 552 HG2 -1.34 0.04 0.04 -0.04 1.46 0.16 2dh9A11 LYS 552 HG3 -2.81 -0.02 0.04 -0.04 1.46 -1.37 2dh9A11 LYS 552 HD2 -0.41 0.02 -0.00 -0.04 1.69 1.25 2dh9A11 LYS 552 HD3 -0.31 0.04 0.01 -0.04 1.68 1.37 2dh9A11 LYS 552 HE2 -0.51 -0.05 0.02 -0.04 2.99 2.40 2dh9A11 LYS 552 HE3 -0.21 0.04 0.01 -0.04 2.99 2.78 2dh9A11 MET 553 H -0.58 0.16 -0.21 -0.55 8.47 7.29 2dh9A11 MET 553 HA -0.31 -0.02 0.38 -0.75 4.52 3.81 2dh9A11 MET 553 HB2 -1.23 0.10 0.14 -0.04 2.15 1.12 2dh9A11 MET 553 HB3 -0.72 0.03 -0.02 -0.04 2.03 1.28 2dh9A11 MET 553 HG2 -0.32 0.03 0.03 -0.04 2.63 2.34 2dh9A11 MET 553 HG3 -0.45 -0.06 0.11 -0.04 2.56 2.12 2dh9A11 MET 553 HE3 -0.06 0.01 -0.04 -0.04 2.10 1.97 2dh9A11 LEU 554 H -0.53 0.35 -0.18 -0.55 8.37 7.46 2dh9A11 LEU 554 HA 0.21 0.00 0.17 -0.75 4.35 3.98 2dh9A11 LEU 554 HB2 0.14 -0.04 -0.12 -0.04 1.64 1.58 2dh9A11 LEU 554 HB3 -0.12 0.13 -0.07 -0.04 1.64 1.54 2dh9A11 LEU 554 HG -0.56 0.05 -0.22 -0.04 1.64 0.87 2dh9A11 LEU 554 HD13 -0.16 -0.01 -0.20 -0.04 0.93 0.52 2dh9A11 LEU 554 HD23 -0.20 -0.02 -0.20 -0.04 0.89 0.43 2dh9A11 LYS 555 H -0.17 0.38 -0.57 -0.55 8.42 7.50 2dh9A11 LYS 555 HA -0.15 0.04 0.46 -0.75 4.32 3.91 2dh9A11 LYS 555 HB2 -0.05 -0.03 -0.02 -0.04 1.87 1.73 2dh9A11 LYS 555 HB3 -0.11 0.11 0.19 -0.04 1.79 1.95 2dh9A11 LYS 555 HG2 -0.07 -0.01 -0.30 -0.04 1.46 1.04 2dh9A11 LYS 555 HG3 -0.09 -0.01 -0.15 -0.04 1.46 1.18 2dh9A11 LYS 555 HD2 0.08 -0.03 -0.04 -0.04 1.69 1.66 2dh9A11 LYS 555 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 2dh9A11 LYS 555 HE2 -0.05 0.10 -0.08 -0.04 2.99 2.92 2dh9A11 LYS 555 HE3 0.04 -0.03 -0.03 -0.04 2.99 2.93 2dh9A11 ASP 556 H -0.13 0.57 0.20 -0.55 8.40 8.50 2dh9A11 ASP 556 HA -0.01 0.03 0.44 -0.75 4.63 4.33 2dh9A11 ASP 556 HB2 -0.12 -0.05 0.17 -0.04 2.71 2.67 2dh9A11 ASP 556 HB3 -0.05 0.01 0.00 -0.04 2.70 2.61 2dh9A11 LYS 557 H -0.01 0.35 0.08 -0.55 8.42 8.29 2dh9A11 LYS 557 HA 0.06 -0.02 0.28 -0.75 4.32 3.88 2dh9A11 LYS 557 HB2 0.09 -0.12 -0.01 -0.04 1.87 1.79 2dh9A11 LYS 557 HB3 0.31 0.15 -0.26 -0.04 1.79 1.95 2dh9A11 LYS 557 HG2 0.36 -0.05 -0.15 -0.04 1.46 1.58 2dh9A11 LYS 557 HG3 0.17 0.05 -0.38 -0.04 1.46 1.25 2dh9A11 LYS 557 HD2 -0.00 0.03 -0.03 -0.04 1.69 1.64 2dh9A11 LYS 557 HD3 0.05 -0.00 0.10 -0.04 1.68 1.78 2dh9A11 LYS 557 HE2 0.13 -0.06 -0.05 -0.04 2.99 2.98 2dh9A11 LYS 557 HE3 0.08 0.02 -0.06 -0.04 2.99 2.99 2dh9A11 PHE 558 H 0.38 0.27 -0.94 -0.55 8.34 7.50 2dh9A11 PHE 558 HA 0.11 0.04 0.70 -0.75 4.62 4.70 2dh9A11 PHE 558 HB2 0.03 0.31 0.23 -0.04 3.15 3.67 2dh9A11 PHE 558 HB3 0.22 -0.15 0.01 -0.04 3.06 3.10 2dh9A11 PHE 558 HD2 0.23 -0.08 -0.12 -0.04 7.28 7.26 2dh9A11 PHE 558 HE2 0.16 -0.06 -0.15 -0.04 7.38 7.29 2dh9A11 PHE 558 HZ 0.03 -0.05 -0.16 -0.04 7.32 7.10 2dh9A11 ASN 559 H 0.15 0.57 0.26 -0.55 8.53 8.96 2dh9A11 ASN 559 HA 0.14 0.03 0.46 -0.75 4.76 4.64 2dh9A11 ASN 559 HB2 0.04 0.10 0.30 -0.04 2.88 3.28 2dh9A11 ASN 559 HB3 0.05 -0.05 0.07 -0.04 2.79 2.83 2dh9A11 ASN 559 HD21 0.03 0.26 0.36 -0.04 7.03 7.64 2dh9A11 ASN 559 HD22 -0.14 0.06 0.16 -0.04 7.74 7.78 2dh9A11 GLU 560 H 0.09 0.18 -1.00 -0.55 8.60 7.32 2dh9A11 GLU 560 HA 0.04 -0.01 0.33 -0.75 4.29 3.90 2dh9A11 GLU 560 HB2 0.00 0.06 0.06 -0.04 2.09 2.17 2dh9A11 GLU 560 HB3 0.00 -0.06 -0.02 -0.04 1.99 1.88 2dh9A11 GLU 560 HG2 0.01 -0.08 -0.04 -0.04 2.34 2.20 2dh9A11 GLU 560 HG3 0.03 0.09 -0.09 -0.04 2.34 2.33 2dh9A11 CYS 561 H 0.07 0.46 -0.01 -0.55 8.50 8.47 2dh9A11 CYS 561 HA -0.00 0.04 0.50 -0.75 4.58 4.36 2dh9A11 CYS 561 HB2 -0.05 -0.03 0.10 -0.04 2.97 2.94 2dh9A11 CYS 561 HB3 0.04 0.09 0.17 -0.04 2.97 3.23 2dh9A11 GLY 562 H 0.22 0.27 -0.09 -0.55 8.43 8.28 2dh9A11 GLY 562 HA2 0.12 0.19 0.58 -0.51 4.01 4.39 2dh9A11 GLY 562 HA3 0.17 -0.15 0.29 -0.51 4.01 3.80 2dh9A11 HIS 563 H 0.32 0.03 0.12 -0.55 8.41 8.34 2dh9A11 HIS 563 HA 0.11 0.22 0.84 -0.75 4.63 5.04 2dh9A11 HIS 563 HB2 0.08 0.06 0.06 -0.04 3.26 3.42 2dh9A11 HIS 563 HB3 0.11 -0.14 0.21 -0.04 3.20 3.34 2dh9A11 HIS 563 HD2 0.06 -0.14 -0.15 -0.04 6.97 6.69 2dh9A11 HIS 563 HE1 0.03 -0.01 -0.02 -0.04 7.75 7.70 2dh9A11 VAL 564 H -0.14 0.24 0.14 -0.55 8.24 7.93 2dh9A11 VAL 564 HA -0.45 0.16 0.58 -0.75 4.13 3.66 2dh9A11 VAL 564 HB -0.17 -0.04 0.08 -0.04 2.12 1.95 2dh9A11 VAL 564 HG13 -0.26 -0.04 -0.17 -0.04 0.97 0.45 2dh9A11 VAL 564 HG23 -0.04 0.04 -0.02 -0.04 0.95 0.89 2dh9A11 LEU 565 H -0.26 0.37 0.22 -0.55 8.37 8.15 2dh9A11 LEU 565 HA -0.08 0.19 0.77 -0.75 4.35 4.48 2dh9A11 LEU 565 HB2 -0.00 -0.09 -0.07 -0.04 1.64 1.44 2dh9A11 LEU 565 HB3 0.05 0.00 -0.05 -0.04 1.64 1.60 2dh9A11 LEU 565 HG 0.10 0.09 -0.19 -0.04 1.64 1.60 2dh9A11 LEU 565 HD13 0.10 -0.02 -0.35 -0.04 0.93 0.62 2dh9A11 LEU 565 HD23 0.24 0.01 -0.10 -0.04 0.89 1.01 2dh9A11 TYR 566 H -0.08 0.08 0.21 -0.55 8.29 7.94 2dh9A11 TYR 566 HA -0.08 0.24 0.86 -0.75 4.56 4.83 2dh9A11 TYR 566 HB2 -0.06 0.07 -0.13 -0.04 3.06 2.90 2dh9A11 TYR 566 HB3 -0.10 -0.11 0.02 -0.04 2.98 2.76 2dh9A11 TYR 566 HD2 -0.07 0.03 -0.09 -0.04 7.15 6.98 2dh9A11 TYR 566 HE2 -0.07 0.02 -0.07 -0.04 6.85 6.70 2dh9A11 ALA 567 H -0.79 0.19 0.00 -0.55 8.40 7.26 2dh9A11 ALA 567 HA -0.48 0.32 0.63 -0.75 4.34 4.06 2dh9A11 ALA 567 HB3 -0.19 0.04 -0.10 -0.04 1.41 1.12 2dh9A11 ASP 568 H -0.49 0.36 0.20 -0.55 8.40 7.92 2dh9A11 ASP 568 HA -0.13 0.12 0.85 -0.75 4.63 4.71 2dh9A11 ASP 568 HB2 -0.46 -0.00 -0.17 -0.04 2.71 2.03 2dh9A11 ASP 568 HB3 -0.09 -0.01 -0.01 -0.04 2.70 2.55 2dh9A11 ILE 569 H 0.02 0.13 0.09 -0.55 8.25 7.93 2dh9A11 ILE 569 HA -0.01 0.13 0.62 -0.75 4.18 4.16 2dh9A11 ILE 569 HB 0.08 -0.05 0.17 -0.04 1.89 2.05 2dh9A11 ILE 569 HG12 0.13 -0.15 -0.08 -0.04 1.49 1.35 2dh9A11 ILE 569 HG13 0.15 0.11 -0.11 -0.04 1.21 1.33 2dh9A11 ILE 569 HG23 0.09 0.09 -0.13 -0.04 0.93 0.94 2dh9A11 ILE 569 HD13 0.18 0.01 -0.33 -0.04 0.88 0.70 2dh9A11 LYS 570 H -0.06 0.18 0.43 -0.55 8.42 8.41 2dh9A11 LYS 570 HA 0.02 -0.08 0.32 -0.75 4.32 3.83 2dh9A11 LYS 570 HB2 -0.00 0.10 -0.09 -0.04 1.87 1.83 2dh9A11 LYS 570 HB3 0.08 0.01 -0.07 -0.04 1.79 1.77 2dh9A11 LYS 570 HG2 -0.07 -0.04 0.06 -0.04 1.46 1.37 2dh9A11 LYS 570 HG3 0.05 0.03 -0.07 -0.04 1.46 1.43 2dh9A11 LYS 570 HD2 0.10 0.03 -0.03 -0.04 1.69 1.75 2dh9A11 LYS 570 HD3 0.06 -0.04 0.01 -0.04 1.68 1.66 2dh9A11 LYS 570 HE2 0.09 -0.01 -0.03 -0.04 2.99 3.00 2dh9A11 LYS 570 HE3 0.09 -0.03 -0.04 -0.04 2.99 2.97 2dh9A11 MET 571 H 0.03 0.03 0.26 -0.55 8.47 8.25 2dh9A11 MET 571 HA 0.05 0.26 0.97 -0.75 4.52 5.05 2dh9A11 MET 571 HB2 0.02 -0.04 0.17 -0.04 2.15 2.26 2dh9A11 MET 571 HB3 0.03 -0.25 0.01 -0.04 2.03 1.78 2dh9A11 MET 571 HG2 0.05 0.04 -0.14 -0.04 2.63 2.54 2dh9A11 MET 571 HG3 0.03 0.17 0.04 -0.04 2.56 2.76 2dh9A11 MET 571 HE3 0.03 0.00 -0.44 -0.04 2.10 1.64 2dh9A11 GLU 572 H 0.04 0.65 0.28 -0.55 8.60 9.02 2dh9A11 GLU 572 HA 0.04 0.17 0.94 -0.75 4.29 4.68 2dh9A11 GLU 572 HB2 0.05 0.05 -0.01 -0.04 2.09 2.14 2dh9A11 GLU 572 HB3 0.04 0.00 0.15 -0.04 1.99 2.14 2dh9A11 GLU 572 HG2 0.03 0.01 -0.12 -0.04 2.34 2.21 2dh9A11 GLU 572 HG3 0.03 0.00 -0.05 -0.04 2.34 2.28 2dh9A11 ASN 573 H 0.02 0.25 0.05 -0.55 8.53 8.31 2dh9A11 ASN 573 HA 0.01 0.04 0.30 -0.75 4.76 4.36 2dh9A11 ASN 573 HB2 0.02 -0.05 -0.24 -0.04 2.88 2.57 2dh9A11 ASN 573 HB3 0.01 0.15 0.21 -0.04 2.79 3.12 2dh9A11 ASN 573 HD21 0.01 0.02 0.01 -0.04 7.03 7.03 2dh9A11 ASN 573 HD22 0.01 -0.01 0.02 -0.04 7.74 7.72 2dh9A11 GLY 574 H 0.02 0.02 -0.25 -0.55 8.43 7.67 2dh9A11 GLY 574 HA2 0.01 -0.01 0.23 -0.51 4.01 3.72 2dh9A11 GLY 574 HA3 0.01 0.14 0.51 -0.51 4.01 4.16 2dh9A11 LYS 575 H 0.02 -0.06 -0.25 -0.55 8.42 7.58 2dh9A11 LYS 575 HA 0.01 0.18 0.78 -0.75 4.32 4.53 2dh9A11 LYS 575 HB2 0.03 0.31 -0.05 -0.04 1.87 2.11 2dh9A11 LYS 575 HB3 0.03 -0.02 -0.12 -0.04 1.79 1.65 2dh9A11 LYS 575 HG2 -0.01 -0.02 0.06 -0.04 1.46 1.45 2dh9A11 LYS 575 HG3 0.00 0.12 -0.32 -0.04 1.46 1.22 2dh9A11 LYS 575 HD2 -0.00 -0.00 -0.03 -0.04 1.69 1.61 2dh9A11 LYS 575 HD3 0.02 0.02 -0.05 -0.04 1.68 1.63 2dh9A11 LYS 575 HE2 0.02 -0.02 -0.06 -0.04 2.99 2.90 2dh9A11 LYS 575 HE3 -0.02 -0.01 0.00 -0.04 2.99 2.92 2dh9A11 SER 576 H 0.04 0.21 0.10 -0.55 8.46 8.27 2dh9A11 SER 576 HA 0.09 0.16 0.72 -0.75 4.49 4.70 2dh9A11 SER 576 HB2 0.23 -0.01 0.10 -0.04 3.95 4.24 2dh9A11 SER 576 HB3 0.12 0.06 0.08 -0.04 3.93 4.15 2dh9A11 LYS 577 H 0.09 0.38 0.20 -0.55 8.42 8.53 2dh9A11 LYS 577 HA 0.12 0.16 0.61 -0.75 4.32 4.45 2dh9A11 LYS 577 HB2 0.08 0.09 0.10 -0.04 1.87 2.10 2dh9A11 LYS 577 HB3 0.07 0.01 0.15 -0.04 1.79 1.98 2dh9A11 LYS 577 HG2 0.07 -0.03 -0.05 -0.04 1.46 1.40 2dh9A11 LYS 577 HG3 0.06 -0.00 0.00 -0.04 1.46 1.48 2dh9A11 LYS 577 HD2 0.09 0.05 -0.11 -0.04 1.69 1.67 2dh9A11 LYS 577 HD3 0.06 0.02 -0.10 -0.04 1.68 1.61 2dh9A11 LYS 577 HE2 0.05 0.01 -0.03 -0.04 2.99 2.98 2dh9A11 LYS 577 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.97 2dh9A11 GLY 578 H 0.13 0.13 -0.82 -0.55 8.43 7.32 2dh9A11 GLY 578 HA2 0.02 0.05 0.17 -0.51 4.01 3.74 2dh9A11 GLY 578 HA3 -0.03 0.12 0.39 -0.51 4.01 3.98 2dh9A11 CYS 579 H 0.03 0.16 -0.20 -0.55 8.50 7.94 2dh9A11 CYS 579 HA -0.03 0.15 0.58 -0.75 4.58 4.53 2dh9A11 CYS 579 HB2 0.17 0.03 0.14 -0.04 2.97 3.26 2dh9A11 CYS 579 HB3 0.11 0.08 0.06 -0.04 2.97 3.18 2dh9A11 GLY 580 H -0.28 0.53 0.30 -0.55 8.43 8.44 2dh9A11 GLY 580 HA2 -0.25 -0.06 0.71 -0.51 4.01 3.91 2dh9A11 GLY 580 HA3 -0.18 0.04 0.41 -0.51 4.01 3.76 2dh9A11 VAL 581 H -0.25 0.30 0.32 -0.55 8.24 8.05 2dh9A11 VAL 581 HA -0.29 0.24 0.95 -0.75 4.13 4.28 2dh9A11 VAL 581 HB 0.02 0.02 0.02 -0.04 2.12 2.14 2dh9A11 VAL 581 HG13 -0.28 0.06 -0.09 -0.04 0.97 0.62 2dh9A11 VAL 581 HG23 0.08 -0.03 -0.00 -0.04 0.95 0.95 2dh9A11 VAL 582 H -0.04 0.49 0.14 -0.55 8.24 8.29 2dh9A11 VAL 582 HA -0.23 0.29 0.84 -0.75 4.13 4.28 2dh9A11 VAL 582 HB -0.07 -0.07 0.01 -0.04 2.12 1.95 2dh9A11 VAL 582 HG13 -0.55 0.03 -0.01 -0.04 0.97 0.39 2dh9A11 VAL 582 HG23 -0.83 0.02 -0.28 -0.04 0.95 -0.18 2dh9A11 LYS 583 H -0.16 0.27 0.29 -0.55 8.42 8.27 2dh9A11 LYS 583 HA 0.04 0.29 1.11 -0.75 4.32 5.01 2dh9A11 LYS 583 HB2 0.05 -0.11 0.11 -0.04 1.87 1.88 2dh9A11 LYS 583 HB3 0.02 0.09 0.02 -0.04 1.79 1.87 2dh9A11 LYS 583 HG2 0.03 0.03 -0.14 -0.04 1.46 1.34 2dh9A11 LYS 583 HG3 0.07 0.07 -0.29 -0.04 1.46 1.27 2dh9A11 LYS 583 HD2 0.08 0.05 -0.14 -0.04 1.69 1.64 2dh9A11 LYS 583 HD3 0.17 -0.12 -0.24 -0.04 1.68 1.46 2dh9A11 LYS 583 HE2 -0.17 -0.01 -0.11 -0.04 2.99 2.66 2dh9A11 LYS 583 HE3 -0.02 -0.03 -0.09 -0.04 2.99 2.81 2dh9A11 PHE 584 H 0.17 0.40 0.31 -0.55 8.34 8.67 2dh9A11 PHE 584 HA 0.08 0.27 0.88 -0.75 4.62 5.10 2dh9A11 PHE 584 HB2 0.07 0.06 -0.02 -0.04 3.15 3.22 2dh9A11 PHE 584 HB3 0.08 -0.16 0.07 -0.04 3.06 3.00 2dh9A11 PHE 584 HD2 0.09 -0.04 -0.20 -0.04 7.28 7.09 2dh9A11 PHE 584 HE2 0.15 0.01 -0.20 -0.04 7.38 7.30 2dh9A11 PHE 584 HZ 0.35 0.02 -0.09 -0.04 7.32 7.55 2dh9A11 GLU 585 H 0.30 0.21 0.21 -0.55 8.60 8.78 2dh9A11 GLU 585 HA 0.13 0.10 0.49 -0.75 4.29 4.26 2dh9A11 GLU 585 HB2 0.17 -0.06 0.22 -0.04 2.09 2.37 2dh9A11 GLU 585 HB3 0.09 0.03 0.01 -0.04 1.99 2.08 2dh9A11 GLU 585 HG2 0.23 0.02 0.03 -0.04 2.34 2.58 2dh9A11 GLU 585 HG3 0.07 0.02 0.05 -0.04 2.34 2.45 2dh9A11 SER 586 H 0.15 0.02 0.05 -0.55 8.46 8.13 2dh9A11 SER 586 HA 0.06 0.30 0.87 -0.75 4.49 4.97 2dh9A11 SER 586 HB2 0.05 -0.03 0.12 -0.04 3.95 4.05 2dh9A11 SER 586 HB3 0.03 -0.15 0.09 -0.04 3.93 3.86 2dh9A11 PRO 587 HA 0.06 0.14 0.47 -0.51 4.44 4.60 2dh9A11 PRO 587 HB2 0.03 0.06 0.02 -0.04 2.28 2.34 2dh9A11 PRO 587 HB3 0.04 0.23 0.17 -0.04 2.02 2.42 2dh9A11 PRO 587 HG2 0.02 0.04 0.16 -0.04 2.03 2.21 2dh9A11 PRO 587 HG3 0.03 -0.06 0.20 -0.04 2.03 2.16 2dh9A11 PRO 587 HD2 0.03 0.11 0.28 -0.04 3.68 4.07 2dh9A11 PRO 587 HD3 0.04 0.20 0.23 -0.04 3.65 4.08 2dh9A11 GLU 588 H 0.01 0.16 -0.07 -0.55 8.60 8.15 2dh9A11 GLU 588 HA -0.02 0.14 0.44 -0.75 4.29 4.09 2dh9A11 GLU 588 HB2 -0.02 0.08 0.01 -0.04 2.09 2.11 2dh9A11 GLU 588 HB3 -0.01 0.07 0.10 -0.04 1.99 2.11 2dh9A11 GLU 588 HG2 0.00 -0.11 0.07 -0.04 2.34 2.26 2dh9A11 GLU 588 HG3 -0.02 0.03 -0.05 -0.04 2.34 2.25 2dh9A11 VAL 589 H -0.04 0.07 -0.25 -0.55 8.24 7.46 2dh9A11 VAL 589 HA -0.20 0.12 0.33 -0.75 4.13 3.62 2dh9A11 VAL 589 HB -0.09 0.05 0.02 -0.04 2.12 2.05 2dh9A11 VAL 589 HG13 -0.37 0.03 -0.08 -0.04 0.97 0.50 2dh9A11 VAL 589 HG23 -0.01 -0.00 0.05 -0.04 0.95 0.94 2dh9A11 ALA 590 H -0.08 0.19 -0.58 -0.55 8.40 7.39 2dh9A11 ALA 590 HA -0.12 0.07 0.35 -0.75 4.34 3.89 2dh9A11 ALA 590 HB3 0.16 0.07 0.03 -0.04 1.41 1.63 2dh9A11 GLU 591 H -0.03 0.40 -0.08 -0.55 8.60 8.34 2dh9A11 GLU 591 HA 0.01 0.05 0.47 -0.75 4.29 4.08 2dh9A11 GLU 591 HB2 0.01 -0.01 0.09 -0.04 2.09 2.13 2dh9A11 GLU 591 HB3 0.01 0.03 0.11 -0.04 1.99 2.10 2dh9A11 GLU 591 HG2 -0.03 0.19 0.05 -0.04 2.34 2.51 2dh9A11 GLU 591 HG3 -0.02 -0.01 -0.27 -0.04 2.34 2.00 2dh9A11 ARG 592 H -0.11 0.40 -0.32 -0.55 8.46 7.87 2dh9A11 ARG 592 HA -0.06 0.07 0.43 -0.75 4.34 4.02 2dh9A11 ARG 592 HB2 -0.08 0.03 0.02 -0.04 1.90 1.82 2dh9A11 ARG 592 HB3 -0.17 0.02 0.13 -0.04 1.80 1.73 2dh9A11 ARG 592 HG2 -0.09 -0.02 -0.25 -0.04 1.67 1.26 2dh9A11 ARG 592 HG3 -0.06 -0.01 0.01 -0.04 1.67 1.57 2dh9A11 ARG 592 HD2 -0.11 -0.01 -0.06 -0.04 3.22 3.00 2dh9A11 ARG 592 HD3 -0.06 0.05 -0.03 -0.04 3.22 3.14 2dh9A11 ALA 593 H -0.22 0.49 -0.22 -0.55 8.40 7.90 2dh9A11 ALA 593 HA -0.12 0.03 0.47 -0.75 4.34 3.97 2dh9A11 ALA 593 HB3 -0.06 0.05 0.08 -0.04 1.41 1.43 2dh9A11 CYS 594 H -0.02 0.23 -0.56 -0.55 8.50 7.60 2dh9A11 CYS 594 HA 0.03 -0.06 0.34 -0.75 4.58 4.15 2dh9A11 CYS 594 HB2 0.02 0.20 0.06 -0.04 2.97 3.21 2dh9A11 CYS 594 HB3 0.04 0.17 0.04 -0.04 2.97 3.18 2dh9A11 ARG 595 H -0.04 0.24 -0.57 -0.55 8.46 7.54 2dh9A11 ARG 595 HA -0.02 0.14 0.71 -0.75 4.34 4.42 2dh9A11 ARG 595 HB2 -0.04 0.12 0.15 -0.04 1.90 2.10 2dh9A11 ARG 595 HB3 -0.02 -0.04 0.03 -0.04 1.80 1.73 2dh9A11 ARG 595 HG2 -0.01 -0.02 0.00 -0.04 1.67 1.59 2dh9A11 ARG 595 HG3 -0.02 0.09 -0.02 -0.04 1.67 1.68 2dh9A11 ARG 595 HD2 -0.01 -0.06 -0.03 -0.04 3.22 3.08 2dh9A11 ARG 595 HD3 -0.03 -0.01 0.01 -0.04 3.22 3.15 2dh9A11 MET 596 H -0.06 0.19 -0.00 -0.55 8.47 8.05 2dh9A11 MET 596 HA -0.05 0.12 0.60 -0.75 4.52 4.44 2dh9A11 MET 596 HB2 -0.09 -0.08 0.17 -0.04 2.15 2.10 2dh9A11 MET 596 HB3 -0.07 -0.01 0.00 -0.04 2.03 1.92 2dh9A11 MET 596 HG2 -0.04 0.00 -0.04 -0.04 2.63 2.50 2dh9A11 MET 596 HG3 -0.06 0.11 0.03 -0.04 2.56 2.60 2dh9A11 MET 596 HE3 -0.05 -0.00 -0.03 -0.04 2.10 1.97 2dh9A11 MET 597 H -0.12 0.41 0.16 -0.55 8.47 8.37 2dh9A11 MET 597 HA -0.17 0.01 0.37 -0.75 4.52 3.98 2dh9A11 MET 597 HB2 -0.16 0.00 0.13 -0.04 2.15 2.07 2dh9A11 MET 597 HB3 -0.35 -0.09 -0.03 -0.04 2.03 1.52 2dh9A11 MET 597 HG2 -0.30 0.03 0.19 -0.04 2.63 2.51 2dh9A11 MET 597 HG3 -1.26 -0.06 -0.00 -0.04 2.56 1.19 2dh9A11 MET 597 HE3 -0.49 -0.01 -0.12 -0.04 2.10 1.44 2dh9A11 ASN 598 H -0.05 0.15 -0.10 -0.55 8.53 7.99 2dh9A11 ASN 598 HA -0.02 -0.14 0.40 -0.75 4.76 4.25 2dh9A11 ASN 598 HB2 0.01 0.03 0.36 -0.04 2.88 3.24 2dh9A11 ASN 598 HB3 -0.01 0.20 0.16 -0.04 2.79 3.10 2dh9A11 ASN 598 HD21 0.02 0.33 0.18 -0.04 7.03 7.52 2dh9A11 ASN 598 HD22 0.01 -0.11 0.05 -0.04 7.74 7.65 2dh9A11 GLY 599 H -0.02 0.25 0.35 -0.55 8.43 8.46 2dh9A11 GLY 599 HA2 -0.02 -0.08 0.39 -0.51 4.01 3.78 2dh9A11 GLY 599 HA3 -0.02 0.23 0.85 -0.51 4.01 4.56 2dh9A11 MET 600 H -0.04 0.20 0.12 -0.55 8.47 8.21 2dh9A11 MET 600 HA -0.03 0.11 0.87 -0.75 4.52 4.71 2dh9A11 MET 600 HB2 -0.03 -0.09 -0.02 -0.04 2.15 1.97 2dh9A11 MET 600 HB3 -0.05 0.23 0.07 -0.04 2.03 2.23 2dh9A11 MET 600 HG2 -0.06 0.03 0.13 -0.04 2.63 2.69 2dh9A11 MET 600 HG3 -0.04 -0.13 0.04 -0.04 2.56 2.39 2dh9A11 MET 600 HE3 -0.04 -0.04 -0.10 -0.04 2.10 1.88 2dh9A11 LYS 601 H -0.02 0.23 0.10 -0.55 8.42 8.17 2dh9A11 LYS 601 HA -0.03 0.32 0.25 -0.75 4.32 4.09 2dh9A11 LYS 601 HB2 -0.02 0.03 0.13 -0.04 1.87 1.97 2dh9A11 LYS 601 HB3 -0.02 -0.17 -0.16 -0.04 1.79 1.40 2dh9A11 LYS 601 HG2 -0.02 -0.03 -0.25 -0.04 1.46 1.12 2dh9A11 LYS 601 HG3 -0.02 0.11 -0.05 -0.04 1.46 1.46 2dh9A11 LYS 601 HD2 -0.01 0.03 -0.04 -0.04 1.69 1.62 2dh9A11 LYS 601 HD3 -0.02 -0.04 -0.18 -0.04 1.68 1.40 2dh9A11 LYS 601 HE2 -0.02 -0.05 -0.07 -0.04 2.99 2.81 2dh9A11 LYS 601 HE3 -0.02 0.04 -0.04 -0.04 2.99 2.93 2dh9A11 LEU 602 H -0.05 0.79 0.35 -0.55 8.37 8.91 2dh9A11 LEU 602 HA 0.02 0.06 0.60 -0.75 4.35 4.27 2dh9A11 LEU 602 HB2 -0.07 0.05 0.23 -0.04 1.64 1.80 2dh9A11 LEU 602 HB3 0.08 -0.06 0.03 -0.04 1.64 1.65 2dh9A11 LEU 602 HG -0.11 0.23 0.12 -0.04 1.64 1.84 2dh9A11 LEU 602 HD13 -0.29 -0.02 -0.04 -0.04 0.93 0.53 2dh9A11 LEU 602 HD23 0.04 -0.02 -0.19 -0.04 0.89 0.68 2dh9A11 SER 603 H 0.02 0.25 0.21 -0.55 8.46 8.38 2dh9A11 SER 603 HA 0.01 0.04 0.31 -0.75 4.49 4.10 2dh9A11 SER 603 HB2 0.03 -0.07 -0.20 -0.04 3.95 3.68 2dh9A11 SER 603 HB3 0.01 0.12 0.08 -0.04 3.93 4.09 2dh9A11 GLY 604 H -0.01 0.10 -0.76 -0.55 8.43 7.22 2dh9A11 GLY 604 HA2 -0.01 -0.01 0.14 -0.51 4.01 3.62 2dh9A11 GLY 604 HA3 -0.01 0.16 0.67 -0.51 4.01 4.32 2dh9A11 ARG 605 H -0.03 -0.04 -0.44 -0.55 8.46 7.40 2dh9A11 ARG 605 HA -0.05 0.12 0.84 -0.75 4.34 4.49 2dh9A11 ARG 605 HB2 -0.08 0.07 0.12 -0.04 1.90 1.97 2dh9A11 ARG 605 HB3 -0.10 0.16 -0.06 -0.04 1.80 1.76 2dh9A11 ARG 605 HG2 -0.07 0.12 -0.17 -0.04 1.67 1.51 2dh9A11 ARG 605 HG3 -0.07 0.05 -0.38 -0.04 1.67 1.22 2dh9A11 ARG 605 HD2 -0.18 -0.15 -0.17 -0.04 3.22 2.69 2dh9A11 ARG 605 HD3 -0.16 0.05 -0.20 -0.04 3.22 2.87 2dh9A11 GLU 606 H -0.04 0.13 0.08 -0.55 8.60 8.22 2dh9A11 GLU 606 HA -0.04 0.03 0.39 -0.75 4.29 3.91 2dh9A11 GLU 606 HB2 -0.02 -0.03 0.07 -0.04 2.09 2.07 2dh9A11 GLU 606 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.92 2dh9A11 GLU 606 HG2 -0.02 -0.03 0.01 -0.04 2.34 2.25 2dh9A11 GLU 606 HG3 -0.02 0.00 -0.05 -0.04 2.34 2.24 2dh9A11 ILE 607 H -0.04 0.09 0.18 -0.55 8.25 7.93 2dh9A11 ILE 607 HA -0.03 0.38 1.01 -0.75 4.18 4.78 2dh9A11 ILE 607 HB -0.03 -0.14 -0.03 -0.04 1.89 1.65 2dh9A11 ILE 607 HG12 -0.06 0.21 0.18 -0.04 1.49 1.77 2dh9A11 ILE 607 HG13 -0.04 -0.20 0.01 -0.04 1.21 0.94 2dh9A11 ILE 607 HG23 -0.13 0.03 -0.33 -0.04 0.93 0.45 2dh9A11 ILE 607 HD13 -0.09 -0.02 -0.06 -0.04 0.88 0.67 2dh9A11 ASP 608 H 0.01 0.32 0.19 -0.55 8.40 8.37 2dh9A11 ASP 608 HA 0.01 0.16 1.03 -0.75 4.63 5.08 2dh9A11 ASP 608 HB2 0.03 -0.02 0.14 -0.04 2.71 2.82 2dh9A11 ASP 608 HB3 0.03 0.03 0.03 -0.04 2.70 2.76 2dh9A11 VAL 609 H 0.03 0.16 0.16 -0.55 8.24 8.04 2dh9A11 VAL 609 HA 0.12 0.35 0.96 -0.75 4.13 4.81 2dh9A11 VAL 609 HB 0.05 0.01 0.21 -0.04 2.12 2.35 2dh9A11 VAL 609 HG13 0.21 0.00 -0.15 -0.04 0.97 0.99 2dh9A11 VAL 609 HG23 0.07 -0.01 -0.14 -0.04 0.95 0.83 2dh9A11 ARG 610 H 0.14 0.58 0.43 -0.55 8.46 9.06 2dh9A11 ARG 610 HA 0.07 0.16 0.81 -0.75 4.34 4.62 2dh9A11 ARG 610 HB2 0.07 0.03 -0.00 -0.04 1.90 1.96 2dh9A11 ARG 610 HB3 0.05 -0.04 0.15 -0.04 1.80 1.92 2dh9A11 ARG 610 HG2 0.03 -0.03 -0.05 -0.04 1.67 1.58 2dh9A11 ARG 610 HG3 0.04 0.20 -0.06 -0.04 1.67 1.81 2dh9A11 ARG 610 HD2 0.05 -0.14 -1.07 -0.04 3.22 2.02 2dh9A11 ARG 610 HD3 0.06 0.06 -0.24 -0.04 3.22 3.06 2dh9A11 ILE 611 H 0.06 0.14 0.18 -0.55 8.25 8.08 2dh9A11 ILE 611 HA 0.11 0.06 0.58 -0.75 4.18 4.18 2dh9A11 ILE 611 HB 0.05 0.01 0.09 -0.04 1.89 2.00 2dh9A11 ILE 611 HG12 0.05 0.00 0.03 -0.04 1.49 1.53 2dh9A11 ILE 611 HG13 0.04 0.02 -0.02 -0.04 1.21 1.21 2dh9A11 ILE 611 HG23 0.06 -0.00 -0.22 -0.04 0.93 0.73 2dh9A11 ILE 611 HD13 0.08 0.03 -0.31 -0.04 0.88 0.64 2dh9A11 ASP 612 H 0.12 0.29 0.15 -0.55 8.40 8.41 2dh9A11 ASP 612 HA 0.06 0.15 0.98 -0.75 4.63 5.07 2dh9A11 ASP 612 HB2 0.23 -0.08 -0.11 -0.04 2.71 2.71 2dh9A11 ASP 612 HB3 0.16 0.14 0.21 -0.04 2.70 3.17 2dh9A11 ARG 613 H 0.03 0.21 0.11 -0.55 8.46 8.26 2dh9A11 ARG 613 HA 0.04 0.18 0.93 -0.75 4.34 4.74 2dh9A11 ARG 613 HB2 0.02 -0.04 0.10 -0.04 1.90 1.94 2dh9A11 ARG 613 HB3 0.03 0.01 -0.02 -0.04 1.80 1.77 2dh9A11 ARG 613 HG2 0.02 0.00 -0.01 -0.04 1.67 1.63 2dh9A11 ARG 613 HG3 0.02 0.10 0.02 -0.04 1.67 1.77 2dh9A11 ARG 613 HD2 0.02 0.01 -0.02 -0.04 3.22 3.19 2dh9A11 ARG 613 HD3 0.03 -0.09 -0.08 -0.04 3.22 3.04 2dh9A11 ASN 614 H 0.02 0.17 0.10 -0.55 8.53 8.27 2dh9A11 ASN 614 HA 0.01 0.24 0.86 -0.75 4.76 5.11 2dh9A11 ASN 614 HB2 0.02 0.00 0.12 -0.04 2.88 2.97 2dh9A11 ASN 614 HB3 0.01 0.01 0.18 -0.04 2.79 2.95 2dh9A11 ASN 614 HD21 0.01 -0.01 -0.00 -0.04 7.03 6.99 2dh9A11 ASN 614 HD22 0.03 0.00 -0.07 -0.04 7.74 7.66 2dh9A11 ALA 615 H 0.01 0.17 -0.21 -0.55 8.40 7.82 2dh9A11 ALA 615 HA 0.01 0.18 0.87 -0.75 4.34 4.64 2dh9A11 ALA 615 HB3 0.01 0.01 -0.05 -0.04 1.41 1.33 2dh9A11 SER 616 H 0.00 0.19 0.04 -0.55 8.46 8.15 2dh9A11 SER 616 HA 0.00 0.16 0.83 -0.75 4.49 4.73 2dh9A11 SER 616 HB2 0.00 0.00 0.20 -0.04 3.95 4.11 2dh9A11 SER 616 HB3 0.00 0.02 0.06 -0.04 3.93 3.97 2dh9A11 GLY 617 H 0.00 0.31 -0.03 -0.55 8.43 8.17 2dh9A11 GLY 617 HA2 0.00 0.07 0.42 -0.51 4.01 4.00 2dh9A11 GLY 617 HA3 0.00 0.05 0.27 -0.51 4.01 3.82 2dh9A11 PRO 618 HA 0.00 0.01 0.46 -0.51 4.44 4.41 2dh9A11 PRO 618 HB2 0.00 0.14 0.01 -0.04 2.28 2.40 2dh9A11 PRO 618 HB3 0.00 -0.01 0.11 -0.04 2.02 2.08 2dh9A11 PRO 618 HG2 0.00 0.07 0.05 -0.04 2.03 2.11 2dh9A11 PRO 618 HG3 0.00 0.02 0.07 -0.04 2.03 2.08 2dh9A11 PRO 618 HD2 0.00 0.11 0.20 -0.04 3.68 3.96 2dh9A11 PRO 618 HD3 0.00 0.10 0.13 -0.04 3.65 3.85 2dh9A11 SER 619 H 0.01 0.04 0.15 -0.55 8.46 8.11 2dh9A11 SER 619 HA 0.01 0.05 0.35 -0.75 4.49 4.14 2dh9A11 SER 619 HB2 0.01 0.06 0.07 -0.04 3.95 4.04 2dh9A11 SER 619 HB3 0.01 -0.03 0.13 -0.04 3.93 3.99 2dh9A11 SER 620 H 0.01 0.12 0.15 -0.55 8.46 8.19 2dh9A11 SER 620 HA 0.00 0.13 0.86 -0.75 4.49 4.72 2dh9A11 SER 620 HB2 0.00 0.03 0.04 -0.04 3.95 3.99 2dh9A11 SER 620 HB3 0.00 -0.00 0.07 -0.04 3.93 3.96 2dh9A11 GLY 621 H 0.00 0.12 0.04 -0.55 8.43 8.05 2dh9A11 GLY 621 HA2 0.00 0.05 0.18 -0.51 4.01 3.73 2dh9A11 GLY 621 HA3 0.00 0.12 0.27 -0.51 4.01 3.90