Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.G11 1.G11 C Shift Assignments>> C :: 174.6734144 CA :: 45.33224978 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.613697317 HA2 :: 4.041498194 HA3 :: 4.041498194 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.7938268 Ave N Shift Values>> N :: 109.67(3.87) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.902899 CA :: 58.57700482 CB :: 63.77648496 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.309694204 HA :: 4.401693069 HB2 :: 4.015506436 HB3 :: 4.015506436 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.5900655 Ave N Shift Values>> N :: 116.28(3.52) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4134347 CA :: 58.42921008 CB :: 63.68861925 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.267387779 HA :: 4.38459019 HB2 :: 3.793090781 HB3 :: 3.793090781 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2380536 Ave N Shift Values>> N :: 116.28(3.52) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 H 0.19 K 0.19 R 0.15 E 0.14 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 174.0583668 CA :: 55.28358174 CB :: 29.17085519 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.529260618 HA :: 4.721188858 HB2 :: 3.179219706 HB3 :: 3.062743728 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.1733501 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 H 0.2 K 0.18 R 0.15 E 0.14 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 174.0844897 CA :: 55.27146016 CB :: 29.23216368 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.534262383 HA :: 4.672917339 HB2 :: 3.197149285 HB3 :: 3.069209917 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.404755 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 H 0.2 K 0.17 R 0.16 E 0.15 M 0.06 L 0.01 C Shift Assignments>> C :: 174.089497 CA :: 55.33216653 CB :: 29.41518936 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.710705356 HA :: 4.716297062 HB2 :: 3.144165301 HB3 :: 3.144165301 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.0832464 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 H 0.2 K 0.18 R 0.15 E 0.15 M 0.06 L 0.01 I 0.01 C Shift Assignments>> C :: 174.1168159 CA :: 55.41075519 CB :: 29.35220395 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.777487957 HA :: 4.724234632 HB2 :: 3.168802937 HB3 :: 3.168802937 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.3778731 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 H 0.2 K 0.17 R 0.16 E 0.15 M 0.06 L 0.01 I 0.01 C Shift Assignments>> CA :: 55.48660977 CB :: 29.44605882 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.788296225 HA :: 4.752552929 HB2 :: 3.185306603 HB3 :: 3.185306603 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.6985486 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 H 0.2 K 0.17 R 0.16 E 0.15 M 0.06 L 0.01 I 0.01 C Shift Assignments>> C :: 174.6168175 CA :: 55.56064533 CB :: 29.44308187 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.770132658 HA :: 4.741451824 HB2 :: 3.234793484 HB3 :: 3.234793484 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.3556266 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 HN Overlap>> 1.G2 1.G2 1.G13 1.G13 C Shift Assignments>> C :: 173.9099412 CA :: 45.27137109 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.57311695 HA2 :: 4.756220714 HA3 :: 4.004910181 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8634615 Ave N Shift Values>> N :: 109.67(3.87) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0307746 CA :: 58.49957563 CB :: 64.05960037 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.410152047 HA :: 4.73557875 HB2 :: 4.486007656 HB3 :: 3.89332008 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.8829205 Ave N Shift Values>> N :: 116.28(3.52) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.G11 1.G11 C Shift Assignments>> C :: 173.7939849 CA :: 45.33158419 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.51889413 HA2 :: 3.952498802 HA3 :: 3.952498802 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.882284 Ave N Shift Values>> N :: 109.67(3.87) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.16 G 0.02 C Shift Assignments>> C :: 177.0719129 CA :: 55.08387947 CB :: 42.33113892 CG :: 27.62414786 CD1 :: 25.54133333 CD2 :: 25.54133333 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.106564586 HA :: 4.357282962 HB2 :: 1.571753386 HB3 :: 1.545189258 HG :: 1.567779006 HD11 :: 0.8840668688 HD12 :: 0.8840668688 HD13 :: 0.8840668688 HD21 :: 0.8269650999 HD22 :: 0.8269650999 HD23 :: 0.8269650999 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.7250651 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.3191671 CA :: 59.82874001 CB :: 32.77190366 CG1 :: 21.51866927 CG2 :: 21.51866927 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.136948433 HA :: 4.396908378 HB :: 2.047088089 HG11 :: 0.933563372 HG12 :: 0.933563372 HG13 :: 0.933563372 HG21 :: 0.9106965617 HG22 :: 0.9106965617 HG23 :: 0.9106965617 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.9044777 Ave N Shift Values>> N :: 121.14(4.54) 1.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.26 G 0.05 C Shift Assignments>> C :: 177.0120837 CA :: 56.53422565 CB :: 30.89497907 CG :: 27.8292607 CD :: 43 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.452715444 HA :: 4.309340041 HB2 :: 1.832608315 HB3 :: 1.793959689 HG2 :: 1.690681581 HG3 :: 1.655871311 HD2 :: 3.20505065 HD3 :: 3.157435631 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.8278103 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.211355 CA :: 45.35493589 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.479319708 HA2 :: 3.974707221 HA3 :: 3.974707221 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4421174 Ave N Shift Values>> N :: 109.67(3.87) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.541647 CA :: 58.49639147 CB :: 63.8292141 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.217672748 HA :: 4.423385374 HB2 :: 3.870508047 HB3 :: 3.870508047 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.7177222 Ave N Shift Values>> N :: 116.28(3.52) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.7351696 CA :: 52.83908733 CB :: 19.36449065 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.397848749 HA :: 4.367467977 HB1 :: 1.404838427 HB2 :: 1.404838427 HB3 :: 1.404838427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8195242 Ave N Shift Values>> N :: 123.23(3.54) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7109842 CA :: 58.42688255 CB :: 63.78206137 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.234246578 HA :: 4.430492998 HB2 :: 3.850144512 HB3 :: 3.850144512 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.5735064 Ave N Shift Values>> N :: 116.28(3.52) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 Q 0.27 K 0.02 E 0.02 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 176.3529495 CA :: 55.77876383 CB :: 33.03589799 CG :: 32 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.34371516 HA :: 4.525529358 HB2 :: 2.128740372 HB3 :: 2.025760091 HG2 :: 2.608522842 HG3 :: 2.541316767 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.1617493 Ave N Shift Values>> N :: 120.09(3.57) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I109 1.I109 C Shift Assignments>> C :: 174.4451205 CA :: 58.55296156 CB :: 63.80685666 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.288074647 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.3900402 Ave N Shift Values>> N :: 116.28(3.52) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.18 F 0.12 Y 0.1 K 0.03 C Shift Assignments>> C :: 176.1639576 CA :: 54.41960044 CB :: 40.3568399 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.389899077 HA :: 4.679461903 HB2 :: 2.747395055 HB3 :: 2.747395055 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.0365797 Ave N Shift Values>> N :: 120.65(3.86) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0126122 CA :: 58.96447916 CB :: 63.75026109 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.207533859 HA :: 4.419259869 HB2 :: 3.877813031 HB3 :: 3.877813031 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.5281689 Ave N Shift Values>> N :: 116.28(3.52) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 E 0.27 M 0.07 I 0.01 R 0.01 HN Overlap>> 1.M22 1.M22 C Shift Assignments>> C :: 176.4316882 CA :: 56.55140981 CB :: 29.51013358 CG :: 34.75170428 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.295308086 HA :: 4.352382485 HB2 :: 1.98883593 HB3 :: 2.102961078 HG2 :: 2.362593253 HG3 :: 2.362593253 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.1840589 Ave N Shift Values>> N :: 120.67(3.48) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.993745 CA :: 62.74543242 CB :: 32.70122224 CG1 :: 20.62414786 CG2 :: 20.62414786 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.003899518 HA :: 4.064968289 HB :: 2.052629379 HG11 :: 0.9122080412 HG12 :: 0.9122080412 HG13 :: 0.9122080412 HG21 :: 0.9122080412 HG22 :: 0.9122080412 HG23 :: 0.9122080412 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.9458689 Ave N Shift Values>> N :: 121.14(4.54) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.21 F 0.09 Y 0.09 L 0.06 C Shift Assignments>> C :: 175.2646022 CA :: 53.48496673 CB :: 38.96230023 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.402937647 HA :: 4.694163799 HB2 :: 2.809639554 HB3 :: 2.809639554 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.4832979 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.3 E 0.21 M 0.08 R 0.01 I 0.01 HN Overlap>> 1.A74 1.E30 1.A74 1.E30 C Shift Assignments>> C :: 175.9384471 CA :: 56.20302713 CB :: 29.47381502 CG :: 34.49080302 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.338123816 HA :: 4.295444466 HB2 :: 1.97064555 HB3 :: 2.129295075 HG2 :: 2.352587311 HG3 :: 2.352587311 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.8576102 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 Q 0.24 K 0.2 M 0.1 I 0.02 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 175.6905767 CA :: 56.1893993 CB :: 29.73944388 CG :: 35.37585214 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.290212044 HA :: 4.284757054 HB2 :: 2.114802525 HB3 :: 2.114802525 HG2 :: 2.364934163 HG3 :: 2.364934163 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.9063857 Ave N Shift Values>> N :: 120.67(3.48) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.2214879 CA :: 52.44531999 CB :: 19.34047184 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.196087784 HA :: 4.288547598 HB1 :: 1.364562081 HB2 :: 1.364562081 HB3 :: 1.364562081 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.9263754 Ave N Shift Values>> N :: 123.23(3.54) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.06 G 0.01 A 0.01 C Shift Assignments>> C :: 174.3956239 CA :: 54.14073182 CB :: 32.6506695 CG :: 24.53707783 CE :: 42 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.217462823 HA :: 4.592525577 HB2 :: 1.8265543 HB3 :: 1.8265543 HG2 :: 1.458948979 HG3 :: 1.421638333 HD2 :: 1.703263792 HD3 :: 1.703263792 HE2 :: 2.995385841 HE3 :: 2.995385841 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.8444207 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.19 R 0.18 E 0.18 K 0.13 M 0.08 I 0.01 C Shift Assignments>> C :: 176.142465 CA :: 56.15615753 CB :: 29.9167866 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.478924097 HA :: 4.308543153 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.2634744 Ave N Shift Values>> N :: 120.67(3.48) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 P 0.32 K 0.03 R 0.01 M 0.01 H 0.01 Q 0.01 E 0.01 C Shift Assignments>> C :: 175.6693902 CA :: 62.22346654 CB :: 32.73960888 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.208803727 HA :: 4.082488906 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.4054627 Ave N Shift Values>> N :: 121.14(4.54) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.16 A 0.13 L 0.11 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.2866988 CA :: 54.14896268 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.402101806 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.6686291 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 M 0.22 K 0.21 E 0.17 C Shift Assignments>> CA :: 56.13750328 CB :: 30.30707951 CG :: 34.22755642 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.556084358 HA :: 4.42549808 HB2 :: 1.978891597 HB3 :: 2.090046582 HG2 :: 2.352864482 HG3 :: 2.352864482 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.5823127 Ave N Shift Values>> N :: 120.67(3.48) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.5827547 CA :: 62.29967598 CB :: 70.1475046 CG2 :: 20.6105136 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.351297337 HA :: 4.770908516 HB :: 4.323217385 HG21 :: 1.215951833 HG22 :: 1.215951833 HG23 :: 1.215951833 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1934655 Ave N Shift Values>> N :: 115.42(4.75) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.2 M 0.19 K 0.13 E 0.13 Q 0.11 C Shift Assignments>> C :: 173.113692 CA :: 55.50524842 CB :: 31.22354495 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.58340566 HA :: 5.113153917 HB2 :: 3.011427163 HB3 :: 2.899047044 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.0570501 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 G 0.03 C Shift Assignments>> C :: 172.6029232 CA :: 59.7202945 CB :: 42.1050741 CG1 :: 26.75170428 CG2 :: 16.78440483 CD1 :: 14.3810361 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.101464385 HA :: 4.701065371 HB :: 1.591771921 HG12 :: 1.403875727 HG13 :: 1.403875727 HG21 :: 0.7130783478 HG22 :: 0.7130783478 HG23 :: 0.7130783478 HD11 :: 0.5221080154 HD12 :: 0.5221080154 HD13 :: 0.5221080154 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.3092172 Ave N Shift Values>> N :: 121.46(4.28) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.34 L 0.14 F 0.05 Y 0.04 K 0.02 HN Overlap>> 1.R114 1.R114 C Shift Assignments>> CA :: 52.20406287 CB :: 40.5644225 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.850808941 HA :: 5.555278253 HB2 :: 2.793527942 HB3 :: 2.627703933 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.102923 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.18 A 0.03 C Shift Assignments>> C :: 175.0417018 CA :: 53.21830772 CB :: 47.05963599 CG :: 27.24829572 CD1 :: 24.61379878 CD2 :: 27.1207393 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.061325559 HA :: 5.07120624 HB2 :: 1.461273063 HB3 :: 1.461273063 HG :: 1.190147342 HD11 :: 0.8998658794 HD12 :: 0.8998658794 HD13 :: 0.8998658794 HD21 :: 0.653481121 HD22 :: 0.653481121 HD23 :: 0.653481121 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.5004816 Ave N Shift Values>> N :: 121.86(3.9) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.1 HN Overlap>> 1.R67 1.R67 C Shift Assignments>> C :: 174.8400442 CA :: 54.52212195 CB :: 35.1659604 CG :: 25.00272685 CD :: 29.38266927 CE :: 41.48433591 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.453094504 HA :: 4.90441703 HB2 :: 1.405285479 HB3 :: 1.405285479 HG2 :: 0.7711451987 HG3 :: 0.7711451987 HD2 :: 1.429279565 HD3 :: 1.429279565 HE2 :: 2.685131002 HE3 :: 2.685131002 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8675706 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.2767783 CA :: 60.11144399 CB :: 33.22529069 CG1 :: 22.10794583 CG2 :: 21.8329546 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.921087844 HA :: 5.126398603 HB :: 1.851735536 HG11 :: 0.761515306 HG12 :: 0.761515306 HG13 :: 0.761515306 HG21 :: 0.09215422067 HG22 :: 0.09215422067 HG23 :: 0.09215422067 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.2450036 Ave N Shift Values>> N :: 121.14(4.54) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.7201714 CA :: 55.31487717 CB :: 65.98689136 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.538195413 HA :: 5.663142534 HB2 :: 3.720654792 HB3 :: 3.572324095 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.3941402 Ave N Shift Values>> N :: 116.28(3.52) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.26 N 0.11 K 0.1 F 0.05 R 0.04 Y 0.03 C Shift Assignments>> C :: 177.2513183 CA :: 52.66763892 CB :: 41.79331565 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.562353852 HA :: 5.362375058 HB2 :: 3.288748291 HB3 :: 2.582320078 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.2494919 Ave N Shift Values>> N :: 120.65(3.86) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.3261015 CA :: 45.63756761 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.802536111 HA2 :: 4.491675599 HA3 :: 3.584510465 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.204818 Ave N Shift Values>> N :: 109.67(3.87) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9692142 CA :: 59.59551809 CB :: 64.4365822 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.578797233 HA :: 4.627896825 HB2 :: 3.881067241 HB3 :: 3.881067241 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8254355 Ave N Shift Values>> N :: 116.28(3.52) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.6829351 CA :: 58.04887747 CB :: 64.80674802 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.223005508 HA :: 4.724411764 HB2 :: 3.800931985 HB3 :: 3.800931985 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.4576062 Ave N Shift Values>> N :: 116.28(3.52) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 Q 0.16 E 0.15 HN Overlap>> 1.A74 1.A74 C Shift Assignments>> C :: 174.8119033 CA :: 54.56624822 CB :: 32.43135844 CG :: 34.76377821 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.41508442 HA :: 5.506915658 HB2 :: 1.841983215 HB3 :: 1.841983215 HG2 :: 2.147868329 HG3 :: 2.147868329 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.7210147 Ave N Shift Values>> N :: 120.67(3.48) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 173.8395577 CA :: 59.91756633 CB :: 41.71416976 CG1 :: 27.7 CG2 :: 18.11207393 CD1 :: 13.13096499 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.753353826 HA :: 4.427738544 HB :: 1.857688293 HG12 :: 1.51464002 HG13 :: 0.652520704 HD11 :: 0.8694798775 HD12 :: 0.8694798775 HD13 :: 0.8694798775 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.7055458 Ave N Shift Values>> N :: 121.46(4.28) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 L 0.17 D 0.14 K 0.13 I 0.04 N 0.02 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> CA :: 57.14039219 CB :: 40.82814022 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.446141296 HA :: 5.270497253 HB2 :: 2.893664892 HB3 :: 2.462708165 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.3574249 Ave N Shift Values>> N :: 120.45(4.18) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 G 0.26 L 0.26 F 0.08 Y 0.04 D 0.02 K 0.01 C Shift Assignments>> C :: 173.739435 CA :: 57.53961824 CB :: 44.21977225 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.391657913 HA :: 4.758800134 HB2 :: 2.937012004 HB3 :: 2.602346461 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.2197966 Ave N Shift Values>> N :: 120.45(4.18) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 R 0.05 HN Overlap>> 1.F57 1.F57 C Shift Assignments>> C :: 175.6713551 CA :: 55.6722903 CB :: 33.71216575 CG :: 24.9 CD :: 29.26903501 CE :: 41.27097536 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.459319466 HA :: 5.295700113 HB2 :: 1.627415288 HB3 :: 1.627415288 HG2 :: 1.481694429 HG3 :: 1.481694429 HD2 :: 1.283449313 HD3 :: 1.157426917 HE2 :: 2.754651253 HE3 :: 2.754651253 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.4003316 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 G 0.31 C Shift Assignments>> C :: 174.3055424 CA :: 59.32225882 CB :: 42.9868243 CG1 :: 26.50340856 CD1 :: 14.62897743 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.873611667 HA :: 4.92341859 HB :: 1.880746897 HG12 :: 1.482032238 HG13 :: 1.291778342 HD11 :: 0.6895447697 HD12 :: 0.6895447697 HD13 :: 0.6895447697 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.7993011 Ave N Shift Values>> N :: 121.46(4.28) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.15 G 0.06 L 0.02 HN Overlap>> 1.I117 1.I117 C Shift Assignments>> C :: 178.4911029 CA :: 57.11546901 CG :: 26.87244358 CD :: 29.99318287 CE :: 43.048 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.383127326 HA :: 4.441093857 HB2 :: 1.857935234 HB3 :: 1.857935234 HG2 :: 1.724687386 HG3 :: 1.724687386 HD2 :: 1.793953351 HD3 :: 1.793953351 HE2 :: 3.215082885 HE3 :: 3.215082885 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.3241301 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.17 G 0.04 C Shift Assignments>> C :: 175.1777599 CA :: 59.72475521 CB :: 32.823 CG :: 26.77244358 CD :: 30.873807 CE :: 42.52012322 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.50013939 HA :: 3.766208215 HB2 :: 1.822113715 HB3 :: 1.822113715 HG2 :: 1.403523791 HG3 :: 1.403523791 HD2 :: 1.547523721 HD3 :: 1.547523721 HE2 :: 3.070132081 HE3 :: 3.070132081 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.1733427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> T 0.99 C Shift Assignments>> CA :: 60.19317746 CB :: 68.99200781 CG2 :: 21.66296753 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.875469269 HA :: 4.338786363 HB :: 4.624492877 HG21 :: 1.134204063 HG22 :: 1.134204063 HG23 :: 1.134204063 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 133.7443703(S) Ave N Shift Values>> N :: 115.42(4.75) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 170.7774245 CA :: 60.99530023 CB :: 70.3771718 CG2 :: 21.54815414 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.486285234 HA :: 4.485961334 HB :: 4.103139026 HG21 :: 1.373826769 HG22 :: 1.373826769 HG23 :: 1.373826769 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.6532577 Ave N Shift Values>> N :: 115.42(4.75) 1.P65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.23 L 0.13 C Shift Assignments>> C :: 177.3400909 CA :: 57.50937922 CB :: 41.45541565 CG :: 28.89183722 CD2 :: 26.42679925 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.158106365 HA :: 3.70894559 HB2 :: 1.715117596 HB3 :: 1.715117596 HG :: 1.554845641 HD11 :: 0.9689751011 HD12 :: 0.9689751011 HD13 :: 0.9689751011 HD21 :: 0.5501585121 HD22 :: 0.5501585121 HD23 :: 0.5501585121 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.8422695 Ave N Shift Values>> N :: 121.86(3.9) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 S 0.13 Y 0.11 F 0.11 T 0.11 V 0.11 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 176.7354712 CA :: 60.11522674 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.502662633 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.8422962 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.14 G 0.07 L 0.01 C Shift Assignments>> C :: 178.8142921 CA :: 59.00095487 CB :: 29.63288374 CG :: 27 CD :: 43 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.822960306 HA :: 4.039614267 HB2 :: 1.828295794 HB3 :: 1.828295794 HG2 :: 1.680912333 HG3 :: 1.680912333 HD2 :: 3.221057194 HD3 :: 3.221057194 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.5758165 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 177.2389833 CA :: 57.75438265 CB :: 41.983981 CG :: 26.55422235 CD1 :: 26.94728963 CD2 :: 24.50306269 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.055997703 HA :: 3.408717513 HB2 :: 1.188675329 HB3 :: 1.153934408 HG :: 0.6326948422 HD11 :: 0.3759889564 HD12 :: 0.3759889564 HD13 :: 0.3759889564 HD21 :: 0.1998477331 HD22 :: 0.1998477331 HD23 :: 0.1998477331 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9840126 Ave N Shift Values>> N :: 121.86(3.9) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 M 0.27 K 0.17 E 0.16 I 0.01 C Shift Assignments>> C :: 177.7337075 CA :: 59.2463488 CB :: 33.9167193 CG :: 30.76340856 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.81442042 HA :: 3.062435187 HB2 :: 1.746657617 HB3 :: 1.464875045 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.6967445 Ave N Shift Values>> N :: 120.09(3.57) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.26 K 0.07 M 0.03 Q 0.03 C Shift Assignments>> C :: 178.8213039 CA :: 59.17087529 CB :: 29.66786982 CG :: 36.62414786 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.486199047 HA :: 3.996144507 HB2 :: 2.119090676 HB3 :: 2.002385798 HG2 :: 2.524295217 HG3 :: 2.359437197 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.267351 Ave N Shift Values>> N :: 120.67(3.48) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 I 0.03 V 0.01 C Shift Assignments>> C :: 180.6625179 CA :: 55.25277635 CB :: 18.77473227 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.557138324 HA :: 4.191400908 HB1 :: 1.609426997 HB2 :: 1.609426997 HB3 :: 1.609426997 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3453091 Ave N Shift Values>> N :: 123.23(3.54) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 F 0.16 Y 0.15 C Shift Assignments>> C :: 176.5848372 CA :: 62.71611577 CB :: 39.731961 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.567367204 HA :: 4.033382967 HB2 :: 3.18682026 HB3 :: 3.124065619 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.023976 Ave N Shift Values>> N :: 120.45(4.18) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.2 I 0.09 HN Overlap>> 1.Q29 1.E55 1.Q29 1.E55 C Shift Assignments>> C :: 179.4305935 CA :: 56.08650279 CB :: 17.75810089 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.369782358 HA :: 3.684289223 HB1 :: 1.484621404 HB2 :: 1.484621404 HB3 :: 1.484621404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7595579 Ave N Shift Values>> N :: 123.23(3.54) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 C Shift Assignments>> C :: 180.4025777 CA :: 59.28161827 CB :: 32.38973161 CG :: 25.42414786 CD :: 29.52414786 CE :: 41.9 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.362293336 HA :: 4.124331334 HB2 :: 1.985257236 HB3 :: 1.985257236 HG2 :: 1.55857051 HG3 :: 1.497470514 HD2 :: 1.700548557 HD3 :: 1.700548557 HE2 :: 3.000635469 HE3 :: 3.000635469 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.3744272 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.22 G 0.02 L 0.02 C Shift Assignments>> C :: 177.5181816 CA :: 58.26034643 CB :: 29.46813174 CG :: 27.82414786 CD :: 42.47585214 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.732942043 HA :: 4.060989512 HB2 :: 1.851961657 HB3 :: 1.851961657 HG2 :: 1.700933676 HG3 :: 1.700933676 HD2 :: 3.113079407 HD3 :: 3.113079407 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.9290716 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.44 K 0.35 M 0.08 E 0.07 R 0.03 C Shift Assignments>> C :: 176.1472349 CA :: 54.59081353 CB :: 29.3793325 CG :: 33.8 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.423769306 HA :: 4.34347803 HB2 :: 2.112606541 HB3 :: 1.649430586 HG2 :: 1.778326286 HG3 :: 1.778326286 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.7703816 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.5167967 CA :: 46.58911893 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.890257391 HA2 :: 3.946035732 HA3 :: 3.946035732 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3719227 Ave N Shift Values>> N :: 109.67(3.87) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 G 0.05 R 0.04 C Shift Assignments>> C :: 175.3456767 CA :: 53.60892129 CB :: 35.82138096 CE :: 41.88 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.924334046 HA :: 4.66848293 HB2 :: 1.796129969 HB3 :: 1.345301672 HG2 :: 1.545670841 HG3 :: 1.545670841 HD2 :: 1.672922428 HD3 :: 1.672922428 HE2 :: 2.973990969 HE3 :: 2.973990969 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.0327625 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 E 0.27 K 0.24 M 0.12 C Shift Assignments>> C :: 178.7955417 CA :: 55.2930849 CB :: 29.74896365 CG :: 34.85170428 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.412482308 HA :: 4.422063533 HB2 :: 1.946933178 HB3 :: 1.946933178 HG2 :: 2.440850047 HG3 :: 2.392575201 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.7786322 Ave N Shift Values>> N :: 120.67(3.48) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 Q 0.26 E 0.05 K 0.03 C Shift Assignments>> C :: 176.8683258 CA :: 60.05499695 CB :: 33.22568087 CG :: 32.01970428 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.243326829 HA :: 3.91903266 HB2 :: 2.167899561 HB3 :: 2.093098825 HG2 :: 2.609177865 HG3 :: 2.484273322 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.9285678 Ave N Shift Values>> N :: 120.09(3.57) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.21 Y 0.2 F 0.2 L 0.09 I 0.02 HN Overlap>> 1.G118 1.G118 C Shift Assignments>> C :: 176.209842 CA :: 55.31444574 CB :: 39.23345789 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.473498131 HA :: 4.618468642 HB2 :: 2.830243218 HB3 :: 2.830243218 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.9960003 Ave N Shift Values>> N :: 120.65(3.86) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.2670998 CA :: 59.30393191 CB :: 64.2401437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.918501575 HA :: 4.566308571 HB2 :: 4.111533658 HB3 :: 3.970210109 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.2586729 Ave N Shift Values>> N :: 116.28(3.52) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.29 A 0.03 C Shift Assignments>> C :: 174.7959039 CA :: 53.71106116 CB :: 45.98600776 CG :: 27.79225875 CD1 :: 26.07585214 CD2 :: 23.68578695 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.734442019 HA :: 4.853918212 HB2 :: 1.714602276 HB3 :: 1.714602276 HG :: 1.547111902 HD11 :: 0.8489656052 HD12 :: 0.8489656052 HD13 :: 0.8489656052 HD21 :: 0.6780029272 HD22 :: 0.6780029272 HD23 :: 0.6780029272 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.0402762 Ave N Shift Values>> N :: 121.86(3.9) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.2 G 0.1 C Shift Assignments>> CA :: 54.26569786 CB :: 32.9631147 CG :: 27.2 CD :: 43.1 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.676024091 HA :: 4.542728191 HB2 :: 1.554866384 HB3 :: 1.554866384 HG2 :: 1.439825026 HG3 :: 1.439825026 HD2 :: 3.181678889 HD3 :: 3.078375602 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.6911203 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.18 D 0.17 K 0.1 I 0.03 N 0.03 C Shift Assignments>> CA :: 56.80668184 CB :: 40.7269036 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.950486258 HA :: 5.26877676 HB2 :: 3.062539552 HB3 :: 2.898452796 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.5977313 Ave N Shift Values>> N :: 120.45(4.18) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.13 C Shift Assignments>> C :: 175.4366742 CA :: 53.77885503 CB :: 46.34038694 CG :: 28.19225875 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.425774617 HA :: 5.23737985 HB2 :: 1.682498683 HB3 :: 1.682498683 HG :: 1.382970567 HD11 :: 0.6062287435 HD12 :: 0.6062287435 HD13 :: 0.6062287435 HD21 :: 0.6062287435 HD22 :: 0.6062287435 HD23 :: 0.6062287435 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.6671288 Ave N Shift Values>> N :: 121.86(3.9) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.2 D 0.2 F 0.16 Y 0.12 R 0.03 N 0.03 I 0.01 C Shift Assignments>> C :: 174.8095493 CA :: 56.09253021 CB :: 41.37696378 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.018688118 HA :: 5.08004145 HB2 :: 2.812433848 HB3 :: 2.79261236 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.0685354 Ave N Shift Values>> N :: 120.52(4.2) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 E 0.13 Y 0.11 F 0.08 M 0.08 D 0.05 K 0.01 L 0.01 I 0.01 C Shift Assignments>> CA :: 54.0132998 CB :: 37.20203603 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.151124884 HA :: 4.050611331 HB2 :: 2.840231949 HB3 :: 1.983303317 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.2731149 Ave N Shift Values>> N :: 120.65(3.86) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> CA :: 45.38155631 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.680128956 HA2 :: 4.101331154 HA3 :: 3.456508811 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.4254603 CA :: 59.5593261 CB :: 39.9817542 CG1 :: 27.7 CG2 :: 17.47908466 CD1 :: 12.15170428 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.940923357 HA :: 4.288401545 HB :: 2.070336989 HG12 :: 1.492609087 HG13 :: 1.12949996 HG21 :: 0.9579601911 HG22 :: 0.9579601911 HG23 :: 0.9579601911 HD11 :: 0.8452179422 HD12 :: 0.8452179422 HD13 :: 0.8452179422 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.1903187 Ave N Shift Values>> N :: 121.46(4.28) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.19 K 0.1 C Shift Assignments>> C :: 176.4189882 CA :: 57.01954406 CB :: 30.27004494 CG :: 28.44829572 CD :: 43.72414786 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.671480233 HA :: 4.604397729 HB2 :: 1.826608555 HB3 :: 1.826608555 HG2 :: 1.709317407 HG3 :: 1.709317407 HD2 :: 3.194040108 HD3 :: 3.194040108 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.1460825 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.32643798 CB :: 39.73390868 CG1 :: 27.07585214 CG2 :: 19.37244358 CD1 :: 15.27244358 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.619277671 HA :: 4.314789705 HB :: 1.658268897 HG12 :: 1.500502496 HG13 :: 1.500502496 HG21 :: 0.8660101839 HG22 :: 0.8660101839 HG23 :: 0.8660101839 HD11 :: 0.6103675249 HD12 :: 0.6103675249 HD13 :: 0.6103675249 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.8269882 Ave N Shift Values>> N :: 121.46(4.28) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 K 0.32 R 0.02 C Shift Assignments>> C :: 176.3828509 CA :: 54.31207041 CB :: 32.13000285 CG :: 30.50340856 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.395155843 HA :: 4.620458161 HB2 :: 1.75302968 HB3 :: 1.75302968 HG2 :: 2.347064643 HG3 :: 2.347064643 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.6738029 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 I 0.01 L 0.01 C Shift Assignments>> C :: 175.8511174 CA :: 54.84501736 CB :: 19.05287399 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.533369683 HA :: 3.73845984 HB1 :: 1.295996599 HB2 :: 1.295996599 HB3 :: 1.295996599 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5105213 Ave N Shift Values>> N :: 123.23(3.54) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.2 L 0.18 F 0.11 Y 0.08 K 0.03 C Shift Assignments>> C :: 176.9737814 CA :: 54.0692439 CB :: 40.50348475 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.972627181 HA :: 4.652621844 HB2 :: 2.723466556 HB3 :: 2.723466556 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.1499999 Ave N Shift Values>> N :: 120.65(3.86) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.22 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 174.6339518 CA :: 56.27415813 CB :: 30.72658079 CG :: 36.41955382 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.721636085 HA :: 4.450518881 HB2 :: 1.785463745 HB3 :: 1.785463745 HG2 :: 2.407858444 HG3 :: 2.407858444 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.1812957 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 A 0.01 C Shift Assignments>> C :: 173.7195373 CA :: 58.55231853 CB :: 64.18438253(S) CG2 :: 21 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.535668879 HA :: 4.956786722 HB :: 4.462436152 HG21 :: 0.9115259231 HG22 :: 0.9115259231 HG23 :: 0.9115259231 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.0568493 Ave N Shift Values>> N :: 115.42(4.75) 1.P99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.34 E 0.17 I 0.04 M 0.03 R 0.03 C Shift Assignments>> C :: 178.7044187 CA :: 58.74727046 CB :: 29.19555311 CG :: 34.22755642 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.087418408 HA :: 4.150975894 HB2 :: 1.88697938 HB3 :: 1.88697938 HG2 :: 2.288150867 HG3 :: 2.288150867 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.5910423 Ave N Shift Values>> N :: 120.67(3.48) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 L 0.14 D 0.14 K 0.06 I 0.05 N 0.02 C Shift Assignments>> C :: 177.2759358 CA :: 57.21103719 CB :: 40.40532726 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.987599703 HA :: 4.304142978 HB2 :: 3.14885897 HB3 :: 2.792689566 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.8949474 Ave N Shift Values>> N :: 120.65(3.86) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.19 A 0.11 G 0.1 C Shift Assignments>> C :: 174.9361995 CA :: 54.10863785 CB :: 43.20115255 CG :: 27.32012322 CD1 :: 22.72820234 CD2 :: 25.86129385 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.013130123 HA :: 4.38260963 HB2 :: 1.753151919 HB3 :: 1.381429474 HG :: 1.51205728 HD11 :: 0.8894109959 HD12 :: 0.8894109959 HD13 :: 0.8894109959 HD21 :: 0.7309856242 HD22 :: 0.7309856242 HD23 :: 0.7309856242 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.6889762 Ave N Shift Values>> N :: 121.86(3.9) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 Y 0.17 F 0.14 D 0.13 L 0.04 E 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 174.7183904 CA :: 54.66062926 CB :: 38.27483048 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.842941063 HA :: 4.393846717 HB2 :: 3.163952728 HB3 :: 2.727753469 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.9275549 Ave N Shift Values>> N :: 120.65(3.86) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 E 0.23 Q 0.08 C Shift Assignments>> C :: 175.5599083 CA :: 57.44440939 CB :: 35.01570613 CG :: 34.37585214 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.563232957 HA :: 4.328004087 HB2 :: 1.845366599 HB3 :: 1.325170025 HG2 :: 2.287420185 HG3 :: 1.521044522 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.5828318 Ave N Shift Values>> N :: 120.09(3.57) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 E 0.17 Q 0.07 C Shift Assignments>> C :: 174.4651769 CA :: 53.56137855 CB :: 32.82234711 CG :: 35.37585214 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.682120843 HA :: 4.58963291 HB2 :: 1.810394262 HB3 :: 1.810394262 HG2 :: 2.318936462 HG3 :: 2.318936462 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1662154 Ave N Shift Values>> N :: 120.67(3.48) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.22 D 0.16 F 0.15 Y 0.12 R 0.05 N 0.01 I 0.01 C Shift Assignments>> C :: 177.3651749 CA :: 56.48415538 CB :: 41.62310189 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.391777149 HA :: 4.587907241 HB2 :: 2.647141515 HB3 :: 2.647141515 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.8764467 Ave N Shift Values>> N :: 120.65(3.86) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 N 0.2 Y 0.17 F 0.11 M 0.1 D 0.02 I 0.02 K 0.02 L 0.01 C Shift Assignments>> C :: 174.4193865 CA :: 55.45659851 CB :: 36.99442933 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.657067464 HA :: 4.234777079 HB2 :: 3.28876043 HB3 :: 3.049313472 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.5412317 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.17 K 0.16 F 0.08 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 173.6611094 CA :: 55.29453236 CB :: 42.55779647 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.953881193 HA :: 4.8754414 HB2 :: 3.090408114 HB3 :: 2.774330423 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.3146141 Ave N Shift Values>> N :: 120.65(3.86) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.03 HN Overlap>> 1.S23 1.S23 C Shift Assignments>> C :: 175.6485979 CA :: 59.90883372 CB :: 42.27098529 CG1 :: 28.94829572 CG2 :: 17.5 CD1 :: 13.755 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.184662288 HA :: 4.990194627 HB :: 1.71990472 HG12 :: 0.917337078 HG13 :: 0.917337078 HG21 :: 0.8784186213 HG22 :: 0.8784186213 HG23 :: 0.8784186213 HD11 :: 0.9063608479 HD12 :: 0.9063608479 HD13 :: 0.9063608479 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.3987617 Ave N Shift Values>> N :: 121.46(4.28) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.8802197 CA :: 59.23207349 CB :: 40.94007403 CG1 :: 28.32414786 CD1 :: 14.64829572 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.16462677 HA :: 4.66795918 HB :: 1.72723207 HG12 :: 1.57761988 HG13 :: 1.57761988 HG21 :: 0.8607612508 HG22 :: 0.8607612508 HG23 :: 0.8607612508 HD11 :: 0.7603424817 HD12 :: 0.7603424817 HD13 :: 0.7603424817 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.3764356 Ave N Shift Values>> N :: 121.46(4.28) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 Q 0.22 E 0.21 K 0.02 C Shift Assignments>> C :: 175.0908905 CA :: 54.51047582 CB :: 31.62256802 CG :: 34.85170428 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.010941264 HA :: 4.980612843 HB2 :: 1.942683618 HB3 :: 1.942683618 HG2 :: 2.403392793 HG3 :: 2.233472785 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.7671761 Ave N Shift Values>> N :: 120.67(3.48) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.14 C Shift Assignments>> C :: 176.2153735 CA :: 49.9270715 CB :: 21.94477142 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51392515 HA :: 4.773131996 HB1 :: 0.5410574102 HB2 :: 0.5410574102 HB3 :: 0.5410574102 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.4869848 Ave N Shift Values>> N :: 123.23(3.54) 1.H113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 H 0.18 R 0.17 K 0.17 Q 0.07 E 0.06 C Shift Assignments>> C :: 173.5979432 CA :: 53.66406144 CB :: 32.07258478 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.732060369 HA :: 4.824316478 HB2 :: 3.207930065 HB3 :: 2.807830829 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.7040028 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.31 M 0.06 Q 0.03 HN Overlap>> 1.N46 1.N46 C Shift Assignments>> C :: 176.2619144 CA :: 56.73207132 CB :: 30.88371143 CG :: 27.82414786 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.827864064 HA :: 4.453066917 HB2 :: 1.861603524 HB3 :: 1.861603524 HG2 :: 1.74288278 HG3 :: 1.74288278 HD2 :: 3.219005337 HD3 :: 3.219005337 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.1023151 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 E 0.3 K 0.2 M 0.15 I 0.01 C Shift Assignments>> C :: 175.5433492 CA :: 56.3705978 CB :: 30.06087616 CG :: 34.85170428 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.424219662 HA :: 4.349668957 HB2 :: 1.932637677 HB3 :: 1.932637677 HG2 :: 2.259684273 HG3 :: 2.259684273 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.1659508 Ave N Shift Values>> N :: 120.67(3.48) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.31 M 0.16 E 0.08 R 0.02 C Shift Assignments>> CA :: 55.54484005 CB :: 29.86583992 CG :: 33.73450666 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.506218263 HA :: 4.393887981 HB2 :: 1.988067641 HB3 :: 1.988067641 HG2 :: 2.310149304 HG3 :: 2.310149304 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.8060044 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 176.7481735 CA :: 61.56601841 CB :: 38.5823537 CG1 :: 27.7 CG2 :: 17.5 CD1 :: 12.77585214 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.335613861 HA :: 4.148518573 HB :: 1.849804648 HG12 :: 1.480037443 HG13 :: 1.189779663 HG21 :: 0.9024949892 HG22 :: 0.9024949892 HG23 :: 0.9024949892 HD11 :: 0.8460877559 HD12 :: 0.8460877559 HD13 :: 0.8460877559 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.3535164 Ave N Shift Values>> N :: 121.46(4.28) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.D82 1.D82 C Shift Assignments>> C :: 173.6838747 CA :: 45.36510303 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.556516123 HA2 :: 4.040444873 HA3 :: 3.898817992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.0330085 Ave N Shift Values>> N :: 109.67(3.87) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 178.8131117 CA :: 45.93391738 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.981589033 HA2 :: 3.786436296 HA3 :: 3.786436296 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.5878722 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 0 C Shift Results: #Consistent: 401 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 644 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.T63 N = 133.7443703(S), Expected = 115.42, Std = 4.7500, ChiSquare = 1.1443e-04 1.T98 CB = 64.18438253(S), Expected = 69.73, Std = 1.6300, ChiSquare = 6.6841e-04