Structural statistics: str target upper limits van der Waals torsion angles RDCs function # rms max # sum max # rms max # rms max 1 4.13 104 0.0199 0.60 4 5.4 0.31 0 0.3280 2.13 0 0.6713 4.54 2 4.29 103 0.0212 0.60 4 5.3 0.24 0 0.1443 1.11 0 0.2908 1.62 3 4.42 108 0.0197 0.66 5 6.3 0.30 0 0.7403 3.48 0 0.3636 2.01 4 4.45 104 0.0198 0.57 5 5.5 0.31 3 1.5847 7.81 0 0.4058 2.03 5 4.47 109 0.0208 0.57 6 5.4 0.32 0 0.2935 1.55 0 0.4108 2.59 6 4.45 110 0.0206 0.60 4 6.4 0.32 0 0.4292 2.78 0 0.2089 1.49 7 4.42 104 0.0204 0.75 4 6.1 0.31 0 0.2646 1.79 0 0.5684 3.49 8 4.47 110 0.0205 0.46 5 5.6 0.37 0 0.3073 1.84 0 0.4575 2.47 9 4.49 97 0.0208 0.60 2 6.0 0.31 0 0.5339 3.77 0 0.4428 1.82 10 4.54 107 0.0213 0.66 2 5.4 0.23 3 1.7865 9.52 0 0.1866 1.00 11 4.59 120 0.0205 0.58 6 6.4 0.32 0 0.1873 1.00 0 0.4610 3.36 12 4.67 113 0.0207 0.48 5 5.7 0.33 0 0.2882 1.81 0 0.5882 2.76 13 4.66 101 0.0213 0.75 5 5.4 0.30 0 0.6453 4.19 0 0.4569 2.71 14 4.59 104 0.0204 0.72 4 7.0 0.30 0 0.4936 2.48 0 0.4018 2.02 15 4.67 122 0.0210 0.67 4 6.2 0.30 0 0.3674 1.79 0 0.4157 2.75 16 4.63 109 0.0208 0.57 5 5.6 0.30 0 0.4571 2.99 0 0.4814 2.35 17 4.66 103 0.0210 0.60 4 6.1 0.31 0 0.4929 3.30 0 0.3461 1.56 18 4.71 101 0.0218 0.66 4 5.8 0.26 0 0.2656 1.99 0 0.3186 2.33 19 4.67 117 0.0210 0.57 5 6.2 0.32 0 0.5082 2.71 0 0.3973 2.17 20 4.76 112 0.0206 0.50 6 5.9 0.35 0 0.2382 1.69 0 0.7237 4.40 Ave 4.54 108 0.0207 0.61 4 5.9 0.30 0 0.5178 2.99 0 0.4299 2.47 +/- 0.15 6 0.0005 0.08 1 0.4 0.03 1 0.4176 2.09 0 0.1320 0.89 Min 4.13 97 0.0197 0.46 2 5.3 0.23 0 0.1443 1.00 0 0.1866 1.00 Max 4.76 122 0.0218 0.75 6 7.0 0.37 3 1.7865 9.52 0 0.7237 4.54 Cut 0.02 0.20 5.00 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA MET 11 - QD2 LEU 43 4.14 8 0.02 0.10 + + +++ *+ + peak 4847 QD2 LEU 43 - HA THR 44 Upper HA HIS 13 - H ILE 17 4.01 9 0.03 0.13 +++ + + +*+ + peak 4702 HA LYS 27 - QE PHE 52 Upper HD2 HIS 13 - QG1 VAL 16 3.23 7 0.02 0.09 * + + ++ + + peak 4538 QG1 VAL 16 - HD1 TRP 51 QG2 THR 46 - QD1 ILE 50 Upper H THR 14 - QG2 THR 14 3.71 7 0.02 0.07 ++ + + ++ * peak 505 Upper HA THR 14 - H GLU 18 3.82 7 0.01 0.05 + + ++ +* + peak 4362 QB ALA 35 - HG3 GLU 45 Upper H GLN 15 - HG2 GLN 15 4.35 12 0.04 0.11 *++ ++ + ++ +++ + peak 1168 Upper H GLN 15 - HG3 GLN 15 3.99 12 0.05 0.14 +++ ++ + *+ +++ + peak 1176 Upper HG2 GLN 15 - H VAL 16 4.30 6 0.04 0.16 +* + + ++ peak 3363 Upper HE22 GLN 15 - HG LEU 41 4.37 8 0.02 0.13 +++ * + + + + peak 4716 HE22 GLN 15 - HB2 LYS 42 HB3 MET 11 - QD2 LEU 43 Upper H VAL 16 - QG2 VAL 16 3.13 16 0.18 0.33 + +++++++ +++*+ + ++ peak 1194 Upper HA VAL 16 - H GLU 18 3.86 10 0.06 0.24 ++ * + + ++ +++ peak 4866 H GLU 18 - HD2 ARG 21 H GLU 18 - HD3 ARG 21 HA SER 30 - HD3 PRO 32 Upper HB VAL 16 - H ILE 17 3.31 16 0.11 0.19 + +++++++ ++++* + ++ peak 29 Upper QG2 VAL 16 - HA ILE 17 4.65 20 0.29 0.62 +++++++++*++++++++++ peak 4763 Upper H ILE 17 - QG2 ILE 17 3.38 20 0.38 0.39 +++++++++*++++++++++ peak 522 Upper H ILE 17 - HA GLU 18 4.28 7 0.01 0.09 + * ++ + ++ peak 3697 HA GLU 18 - H LYS 22 Upper H ILE 17 - H GLU 20 3.67 6 0.02 0.13 * + ++ ++ peak 4727 H GLU 20 - H LYS 22 HA VAL 16 - HZ2 TRP 51 Upper HA ILE 17 - H ARG 21 3.95 7 0.03 0.19 +* + ++ + + peak 3841 HA ARG 55 - HB3 LYS 58 Upper HG12 ILE 17 - H GLU 18 4.77 9 0.04 0.19 +++ * ++ + + + peak 3372 Upper HG13 ILE 17 - H GLU 18 4.76 6 0.02 0.11 * ++ + ++ peak 3373 Upper H GLU 18 - H GLU 20 4.09 6 0.03 0.18 + + + ++ * peak 4160 H GLU 20 - QE PHE 52 HD3 LYS 22 - HG LEU 37 Upper HA LEU 19 - H ARG 21 3.24 7 0.02 0.09 * + + + + + + peak 4538 QG2 THR 46 - QD1 ILE 50 Upper QD1 LEU 19 - QD1 LEU 43 2.94 8 0.03 0.12 ++ ++ + * + + peak 4677 HD1 TRP 51 - HD3 ARG 55 Upper H GLU 20 - HB2 GLU 20 3.38 6 0.06 0.23 + + + + + * peak 541 Upper H GLU 20 - HB3 GLU 20 3.49 14 0.06 0.13 * + +++ ++++++ + ++ peak 542 Upper H GLU 20 - QD1 LEU 37 4.27 7 0.02 0.11 + +* ++ ++ peak 3477 QD1 LEU 37 - H ALA 38 Upper HA GLU 20 - QD PHE 23 3.81 9 0.02 0.09 + ++ + + + *++ peak 4684 HA GLU 20 - HZ2 TRP 51 Upper HA ARG 21 - HD2 ARG 21 4.21 13 0.08 0.27 +++ +++ ++ + ++ + * peak 1354 Upper HA ARG 21 - HD3 ARG 21 4.62 10 0.04 0.19 ++ + *++ ++ ++ peak 1355 Upper HB2 ARG 21 - HA LYS 22 3.29 6 0.01 0.03 ++ + +* + peak 1411 HB3 ARG 21 - HA LYS 22 HA LYS 22 - HD3 LYS 22 Upper HG2 ARG 21 - H LYS 22 4.34 14 0.07 0.14 ++ + * ++++ ++++ ++ peak 62 Upper HG3 ARG 21 - H LYS 22 4.83 9 0.04 0.13 + + + ++ +++ * peak 63 Upper H LYS 22 - HG3 LYS 22 4.13 7 0.02 0.11 + ++ *++ + peak 558 Upper H LYS 22 - QD2 LEU 29 3.43 12 0.04 0.17 +* + ++ ++++ +++ peak 4408 QD2 LEU 29 - H LEU 37 QB ALA 38 - HB2 GLU 45 QB ALA 38 - HB3 GLU 45 QB ALA 38 - HG3 GLU 45 Upper HA LYS 22 - HE2 LYS 22 4.79 8 0.02 0.12 +++ + + + + * peak 1475 Upper HG3 LYS 22 - HA ARG 34 3.37 8 0.02 0.07 ++ + *+ + ++ peak 4071 HA ARG 34 - HB2 LEU 37 QG2 THR 14 - QG2 ILE 17 Upper QD PHE 23 - HZ PHE 23 3.30 9 0.03 0.11 + + + + + +++* peak 4544 QD PHE 23 - HE3 TRP 51 Upper QD PHE 23 - HH2 TRP 51 3.73 17 0.06 0.14 +++++++ ++++ ++*+++ peak 929 H THR 14 - H VAL 16 Upper QE PHE 23 - HA SER 24 3.77 6 0.02 0.10 ++ + + + * peak 4638 QE PHE 23 - HA ARG 56 Upper HA HIS 25 - HB2 GLN 26 4.42 19 0.11 0.38 ++++++++++ *++++++++ peak 4187 HA HIS 25 - HB3 GLN 26 Upper HB2 GLN 26 - HA LEU 29 3.45 16 0.09 0.29 *+++++ +++ +++++++ peak 4064 HB3 GLN 26 - HA LEU 29 HB2 ARG 34 - QG1 VAL 48 QG2 VAL 16 - HD3 ARG 55 Upper HG2 GLN 26 - HB3 LYS 27 4.94 14 0.05 0.12 ++++++ + + +++ *+ + peak 4858 HG3 GLN 26 - HB3 LYS 27 Upper HE22 GLN 26 - H SER 30 3.82 7 0.02 0.08 + * ++ ++ + peak 4704 QD1 LEU 19 - HD3 ARG 55 Upper H LYS 27 - HG3 LYS 27 3.43 9 0.03 0.08 + ++*+ +++ + peak 591 Upper H LYS 27 - QD TYR 28 4.00 9 0.03 0.12 + + ++ ++* + + peak 4663 Upper HE2 LYS 27 - QE TYR 28 3.78 6 0.02 0.08 + + * + ++ peak 4668 QE TYR 28 - HD3 ARG 56 Upper HA LEU 29 - HB2 GLU 33 3.47 9 0.03 0.13 +++ +* + ++ + peak 4709 HA SER 30 - HB2 GLU 33 HA ASN 54 - QD TYR 57 Upper HG LEU 29 - HB2 GLU 33 3.82 13 0.07 0.17 ++++ + *+ + +++++ peak 4519 HG LEU 29 - HB3 ARG 34 HG3 ARG 34 - HG2 GLU 45 Upper QD1 LEU 29 - QD1 LEU 37 3.37 10 0.03 0.16 ++++ + +* + + + peak 4709 HA ASN 54 - QD TYR 57 Upper QD2 LEU 29 - QD2 LEU 37 3.13 7 0.02 0.10 ++ * ++ + + peak 4646 QE PHE 23 - HG3 ARG 56 Upper HA SER 30 - HD2 PRO 32 3.87 9 0.05 0.19 + ++ +*++ + + peak 4871 HB3 LEU 29 - QG2 VAL 48 HG LEU 43 - QG2 VAL 48 Upper HB2 SER 30 - HD3 PRO 32 3.50 6 0.02 0.10 ++ ++ * + peak 4712 HB2 MET 11 - QG2 VAL 16 Upper HB3 SER 30 - H ALA 35 4.15 7 0.02 0.11 + ++ +* + + peak 4031 HA ALA 31 - H ALA 35 HE21 GLN 15 - HG LEU 41 Upper HA ALA 31 - H GLU 33 3.17 7 0.01 0.06 + * ++ + ++ peak 4377 HB2 LEU 19 - QD1 LEU 37 QD1 LEU 37 - QD1 LEU 41 Upper QB ALA 31 - H ARG 34 3.89 17 0.12 0.21 ++++++++++++*+++ + peak 627 H ARG 34 - HG3 ARG 34 Upper HA GLU 33 - H LEU 37 3.60 9 0.03 0.12 + + *+ +++ ++ peak 4259 HA LYS 39 - H LEU 41 H SER 30 - H ARG 34 Upper HG3 GLU 33 - H ARG 34 4.44 10 0.05 0.20 +++ * + ++ + ++ peak 138 Upper H ARG 34 - H HIS 36 3.79 16 0.06 0.10 +++++ ++ +++++*+ ++ peak 4407 QB ALA 38 - HG LEU 41 Upper HB2 ARG 34 - H ALA 38 4.38 18 0.07 0.18 + ++* ++++++++++++++ peak 4399 H ALA 38 - HB3 LYS 39 Upper HG2 ARG 34 - QB ALA 35 3.80 16 0.07 0.16 ++ ++ + ++++ ++++++* peak 4364 QB ALA 35 - QB ALA 38 Upper HD3 ARG 34 - HA LYS 49 4.00 6 0.01 0.04 + + + +* + peak 4560 HE22 GLN 47 - HB ILE 50 Upper H ALA 35 - HB2 HIS 36 4.55 6 0.01 0.05 + +* +++ peak 4353 H ALA 35 - HB3 HIS 36 Upper HA HIS 36 - H ALA 38 4.04 12 0.03 0.10 + +++ + + +++ + +* peak 4779 HE3 LYS 22 - QD2 LEU 37 Upper HA HIS 36 - HE2 LYS 39 3.69 12 0.05 0.18 ++ ++ ++++++ + * peak 2462 HA HIS 36 - HE3 LYS 39 HA LYS 49 - HE2 LYS 49 HA LYS 49 - HE3 LYS 49 Upper H LEU 37 - HG LEU 37 3.93 20 0.19 0.34 ++++++++++++*+++++++ peak 642 H LEU 37 - HG3 LYS 39 Upper H LEU 37 - QD1 LEU 37 3.87 17 0.09 0.21 ++++++++++++* ++ ++ peak 644 H LEU 37 - QG2 VAL 48 Upper H LEU 37 - QD2 LEU 37 3.90 20 0.25 0.31 ++++++++*+++++++++++ peak 643 Upper H LEU 37 - H LYS 39 3.35 8 0.03 0.16 ++ + + ++ + * peak 4311 H LYS 39 - H LEU 41 HB2 LEU 29 - HG2 GLU 33 Upper H LEU 37 - H LYS 39 3.33 19 0.11 0.24 +++++++++++++++++ +* peak 4771 H LYS 39 - H LEU 41 QD2 LEU 19 - HD3 LYS 22 QD2 LEU 19 - HD3 ARG 55 Upper HA LEU 37 - QD2 LEU 37 3.49 19 0.43 0.48 +++*++ +++++++++++++ peak 1942 Upper HA LEU 37 - HB3 ASN 40 3.51 6 0.02 0.13 ++ + + +* peak 4024 HG2 GLN 15 - HB3 LEU 41 Upper HB2 LEU 37 - H ALA 38 3.70 18 0.10 0.19 ++++++ + ++++++++++* peak 157 Upper QD2 LEU 37 - H ALA 38 3.77 17 0.08 0.47 ++++++*++ ++ ++++++ peak 160 Upper H ALA 38 - HB3 LYS 39 4.80 6 0.02 0.12 *+ + + + + peak 4415 Upper H ALA 38 - H ASN 40 3.75 20 0.19 0.26 +++++++++++++*++++++ peak 4704 QD1 LEU 19 - HD3 ARG 55 Upper H LYS 39 - HG2 LYS 39 4.11 11 0.11 0.33 ++++++ + + ++ * peak 652 Upper H LYS 39 - HD2 LYS 39 4.18 7 0.05 0.28 ++ + + + * + peak 655 H LYS 39 - HD3 LYS 39 Upper HA LYS 39 - HG3 LYS 39 3.51 20 0.21 0.32 +++++++++++++++++*++ peak 1990 Upper HA LYS 39 - HD2 LYS 39 3.87 20 0.34 0.49 +++++++++++++*++++++ peak 1992 HA LYS 39 - HD3 LYS 39 Upper HA LYS 39 - HE2 LYS 39 4.91 17 0.07 0.19 ++++++ ++ +*+ ++++++ peak 2066 HA LYS 39 - HE3 LYS 39 Upper HB2 LYS 39 - H ASN 40 3.05 18 0.26 0.47 + +++++++++++++++*+ peak 168 HB3 LYS 39 - H ASN 40 Upper HB2 LYS 39 - HA ASN 40 4.62 17 0.05 0.09 + +++ *++++++++++++ peak 4422 HB3 LYS 39 - HA ASN 40 Upper H ASN 40 - HB3 ASN 40 3.27 20 0.13 0.18 +++++++++++++++*++++ peak 2087 Upper H ASN 40 - HD22 ASN 40 4.64 10 0.03 0.08 ++ * ++ + ++ + + peak 385 Upper H ASN 40 - H LEU 41 2.40 8 0.03 0.12 +* ++ ++ + + peak 890 Upper HB2 ASN 40 - HG LEU 41 4.53 9 0.15 0.46 ++ * ++ ++ ++ peak 4425 Upper HB3 ASN 40 - HG LEU 41 4.42 9 0.11 0.33 ++ + +* ++ ++ peak 4428 Upper H LEU 41 - HG LEU 41 3.45 8 0.06 0.25 ++ * ++ + ++ peak 668 Upper H LEU 41 - QD1 LEU 41 3.74 20 0.39 0.58 ++++++++++*+++++++++ peak 670 Upper H LEU 41 - HA LYS 42 4.51 20 0.12 0.17 +++++++++++*++++++++ peak 4441 Upper HA LEU 41 - QD1 LEU 41 2.95 12 0.34 0.75 +++ +* ++ +++ ++ peak 2099 Upper QD1 LEU 41 - H LYS 42 4.66 20 0.59 0.75 ++++++++++++*+++++++ peak 187 Upper HB3 LYS 42 - H LEU 43 3.99 15 0.07 0.15 +*+++++ ++ ++++ ++ peak 3500 Upper H LEU 43 - QG2 THR 44 4.52 20 0.20 0.27 +++++++++++++++*++++ peak 4502 Upper HB2 LEU 43 - HB3 GLN 47 4.10 15 0.06 0.15 + ++ + ++ *++++ ++++ peak 4060 QG1 VAL 16 - HD3 ARG 55 Upper HG LEU 43 - H THR 44 4.60 9 0.02 0.10 ++ + + *+ + ++ peak 202 Upper HA THR 44 - HG2 GLU 45 5.20 6 0.01 0.05 + * + + + + peak 4526 Upper H THR 46 - QG2 THR 46 3.73 20 0.03 0.04 +++++++++++++++*++++ peak 701 Upper H GLN 47 - HB3 GLN 47 3.59 18 0.03 0.03 + +++++++*+++++++++ peak 705 Upper H GLN 47 - HB VAL 48 4.53 20 0.07 0.12 +++++++++++++++++++* peak 4541 Upper HA GLN 47 - HG2 GLN 47 3.38 14 0.05 0.15 +*++ +++ +++ ++ ++ peak 2325 Upper HA GLN 47 - HE21 GLN 47 5.04 11 0.02 0.06 + +* ++ ++ ++ ++ peak 2327 Upper HG2 GLN 47 - HE22 GLN 47 3.94 6 0.04 0.16 * ++ ++ + peak 447 Upper HG2 GLN 47 - H VAL 48 4.02 17 0.06 0.11 ++++ ++++ *++++++ ++ peak 223 Upper HA ILE 50 - QD1 ILE 50 3.63 12 0.09 0.20 + + + + ++ +++++ * peak 2477 Upper HA ILE 50 - H PHE 52 3.95 9 0.03 0.13 ++++ + ++* + peak 4032 HE21 GLN 15 - HB3 LYS 42 Upper HB ILE 50 - HB2 TRP 51 4.57 15 0.13 0.27 + +++ ++ +*+++ + +++ peak 4612 HB2 TRP 51 - HD3 ARG 55 Upper HB ILE 50 - HB3 TRP 51 4.17 6 0.02 0.15 + + ++*+ peak 4614 Upper H TRP 51 - HE3 TRP 51 4.98 10 0.03 0.12 ++ ++ +++* + + peak 737 Upper HA TRP 51 - QD PHE 52 4.56 20 0.16 0.28 ++++++*+++++++++++++ peak 4729 Upper H GLN 53 - HG2 GLN 53 3.94 17 0.13 0.20 +++*++++ +++++++ ++ peak 752 Upper H GLN 53 - HG3 GLN 53 4.17 17 0.20 0.36 ++++++++ ++*++++ ++ peak 753 Upper HA GLN 53 - HA ASN 54 4.46 20 0.32 0.36 +++++*++++++++++++++ peak 4663 Upper HB3 GLN 53 - H ASN 54 3.62 18 0.14 0.22 ++++++++ ++*++++ +++ peak 268 Upper H ASN 54 - HB2 ASN 54 3.47 15 0.04 0.11 +++* + + +++++++++ peak 758 Upper HB2 ARG 56 - QG2 THR 59 4.04 10 0.09 0.31 + +++ *+++++ peak 4682 HB3 LYS 58 - QG2 THR 59 Upper H TYR 57 - QD TYR 57 4.04 15 0.09 0.20 +++ ++ * +++++++++ peak 783 Upper HA TYR 57 - QD TYR 57 3.01 18 0.08 0.19 ++ +++++*+++ +++++++ peak 4614 Upper HA TYR 57 - HG3 LYS 58 4.50 20 0.30 0.43 +++++++++++++++++++* peak 4851 Upper QD TYR 57 - HB2 LYS 58 4.34 10 0.09 0.34 ++*+ + + + + + + peak 4716 Upper QD TYR 57 - HB3 LYS 58 3.92 18 0.16 0.37 +++++++* ++++++++++ peak 4717 Upper H LYS 58 - HB2 LYS 58 3.56 12 0.05 0.12 +++ ++ * ++++ ++ peak 786 Upper H LYS 58 - HB3 LYS 58 3.29 7 0.12 0.35 ++ * + +++ peak 787 Upper HA LYS 58 - HG2 LYS 58 3.73 12 0.09 0.40 ++++ + +* ++ + ++ peak 2827 Upper HA LYS 58 - HD2 LYS 58 3.97 8 0.07 0.25 + + + ++ +* + peak 2830 HA LYS 58 - HD3 LYS 58 Upper HA LYS 58 - HA THR 59 4.44 16 0.09 0.35 + + +++++ ++++++++* peak 4678 HA LYS 58 - HB THR 59 Upper HB2 LYS 58 - H THR 59 4.07 6 0.04 0.20 + ++ + +* peak 303 Upper HA THR 59 - QG2 THR 59 3.11 16 0.06 0.10 ++ + + ++++++ ++*+++ peak 2916 Upper HA THR 59 - HB3 LYS 60 4.56 16 0.11 0.30 +*++++ ++++++++ ++ peak 4681 Upper HB3 LYS 60 - H ARG 61 3.82 10 0.05 0.19 + + + +*+ ++ + + peak 318 Upper H GLN 63 - HG LEU 64 4.43 7 0.02 0.08 * + + ++++ peak 3222 H LEU 64 - HG LEU 64 VdW CG1 VAL 16 - C VAL 16 2.90 17 0.26 0.32 + +++++++ *++++++ ++ VdW N ALA 31 - HD2 PRO 32 2.45 20 0.23 0.28 ++*+++++++++++++++++ VdW CB ALA 31 - CD PRO 32 3.20 17 0.22 0.26 ++ +++ + ++++++++++* VdW CG LYS 39 - C LYS 39 2.90 10 0.19 0.24 +++ ++ * + + + + VdW N LEU 41 - CD2 LEU 41 3.05 8 0.18 0.37 ++ * ++ + ++ VdW CA LEU 41 - CD2 LEU 41 3.00 9 0.20 0.25 ++ + ++ +* ++ 130 violated distance restraints. 6 violated van der Waals restraints. 0 violated angle restraints. 0 violated residual dipolar coupling restraints. RDC statistics: Orientation 1: Correlation coefficient : 0.978 +/- 0.004 (0.971..0.987, best in conformer 6) Q = rms(Dcalc-Dobs)/rms(Dobs): 20.194 +/- 1.812 % (15.877..23.380) Q normalized by tensor : 16.885 +/- 1.379 % (13.695..19.129) Alignment tensor magnitude : 13.538 +/- 0.279 Hz (13.008..14.029, best 13.225; input 13.225) Alignment tensor rhombicity : 0.224 +/- 0.035 (0.177..0.307, best 0.178; input 0.178) Orientation 2: Correlation coefficient : 0.959 +/- 0.009 (0.935..0.972, best in conformer 5) Q = rms(Dcalc-Dobs)/rms(Dobs): 27.058 +/- 2.740 % (22.947..34.180) Q normalized by tensor : 22.538 +/- 2.700 % (18.662..30.552) Alignment tensor magnitude : -1.183 +/- 0.041 Hz (-1.104..-1.275, best -1.215; input -1.215) Alignment tensor rhombicity : 0.326 +/- 0.050 (0.217..0.408, best 0.307; input 0.307) RMSDs for residues 12..66: Average backbone RMSD to mean : 3.32 +/- 0.89 A (2.20..5.31 A; 20 structures) Average heavy atom RMSD to mean : 3.62 +/- 0.81 A (2.59..5.48 A; 20 structures)