Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.4 K 0.31 M 0.15 E 0.09 R 0.02 C Shift Assignments>> C :: 175.068 CA :: 55.894 CB :: 29.831 CG :: 33.777 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>> HA :: 4.455 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 2.418 HG3 :: 2.418 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) 1.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.3 I 0.29 E 0.01 L 0.01 D 0.01 C Shift Assignments>> C :: 173.318 CA :: 59.456 CB :: 38.787 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 :: 8.034 HA :: 4.123 HB2 :: 1.796 HB3 :: 2.632 HD1 :: 6.396 HD2 :: 6.396 HE1 :: 6.536 HE2 :: 6.536 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 :: 124.383 Ave N Shift Values>> N :: 120.52(4.2) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.014 CA :: 60.851 CB :: 33.172 CG1 :: 20.844 CG2 :: 20.844 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 :: 6.995 HA :: 3.829 HB :: 1.593 HG11 :: 0.774 HG12 :: 0.774 HG13 :: 0.774 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 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 :: 127.390 Ave N Shift Values>> N :: 121.14(4.54) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CB :: 32.687 CG1 :: 21.244 CG2 :: 23.587 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 :: 8.067 HA :: 4.522 HB :: 1.767 HG11 :: 0.959 HG12 :: 0.959 HG13 :: 0.959 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 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 :: 126.277 Ave N Shift Values>> N :: 121.14(4.54) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.074 CA :: 62.826 CB :: 32.293 CG :: 27.574 CD :: 50.550 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.327 HB2 :: 2.402 HB3 :: 1.830 HG2 :: 2.239 HG3 :: 2.239 HD2 :: 3.884 HD3 :: 3.592 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.662 CA :: 58.729 CB :: 63.467 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.123 HA :: 4.174 HB2 :: 3.792 HB3 :: 4.043 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 :: 115.867 Ave N Shift Values>> N :: 116.28(3.52) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 176.680 CA :: 52.856 CB :: 18.275 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.823 HA :: 4.200 HB1 :: 1.162 HB2 :: 1.162 HB3 :: 1.162 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.434 Ave N Shift Values>> N :: 123.23(3.54) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 HN Overlap>> 1.W59 1.W59 C Shift Assignments>> C :: 175.079 CA :: 54.944 CB :: 33.511 CG :: 25.269 CD :: 29.447 CE :: 41.852 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 :: 8.959 HA :: 4.391 HB2 :: 1.628 HB3 :: 1.662 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 :: 123.228 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.75 K 0.16 A 0.06 R 0.01 C Shift Assignments>> C :: 174.127 CA :: 56.384 CB :: 39.021 CG :: 30.325 CD1 :: 25.396 CD2 :: 26.527 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 :: 8.315 HA :: 4.495 HB2 :: -0.833(S) HB3 :: -1.182(S) HG :: 0.646 HD11 :: 0.020 HD12 :: 0.020 HD13 :: 0.020 HD21 :: -0.108 HD22 :: -0.108 HD23 :: -0.108 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 :: 132.849 Ave N Shift Values>> N :: 121.86(3.9) 1.E10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 N 0.19 K 0.12 Y 0.12 Q 0.09 F 0.06 I 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 173.193 CA :: 54.925 CB :: 35.969(S) 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 :: 8.411 HA :: 4.379 HB2 :: 1.639 HB3 :: 1.710 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 :: 117.118 Ave N Shift Values>> N :: 120.67(3.48) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.01 C Shift Assignments>> C :: 174.798 CA :: 50.493 CB :: 20.036 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.500 HA :: 4.815 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.968 Ave N Shift Values>> N :: 123.23(3.54) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.05 C Shift Assignments>> C :: 175.229 CA :: 58.392 CB :: 36.821 CG1 :: 27.261 CG2 :: 17.744 CD1 :: 10.613 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 :: 7.725 HA :: 4.621 HB :: 1.573 HG12 :: 1.065 HG13 :: 1.065 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.344 HD12 :: 0.344 HD13 :: 0.344 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 :: 124.641 Ave N Shift Values>> N :: 121.46(4.28) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.11 K 0.11 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> CA :: 54.292 CB :: 41.131 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 :: 8.855 HA :: 4.597 HB2 :: 2.541 HB3 :: 2.614 HD1 :: 6.705 HD2 :: 6.705 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 :: 126.868 Ave N Shift Values>> N :: 120.52(4.2) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 A 0.07 G 0.02 C Shift Assignments>> C :: 175.439 CA :: 63.775 CB :: 33.854 CG :: 24.355 CD :: 49.703 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.315 HB2 :: 1.315 HB3 :: 1.697 HG2 :: 1.642 HG3 :: 1.642 HD2 :: 3.200 HD3 :: 3.599 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.24 G 0.21 C Shift Assignments>> CA :: 55.528 CB :: 33.643 CG :: 26.176 CD :: 43.544 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 :: 7.113 HA :: 4.814 HB2 :: 1.551 HB3 :: 1.715 HG2 :: 1.396 HG3 :: 1.476 HD2 :: 3.165 HD3 :: 3.165 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 :: 119.212 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.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.21 R 0.09 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.725 CA :: 44.654 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.542 HA2 :: 4.470 HA3 :: 4.034 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.747 Ave N Shift Values>> N :: 109.67(3.87) 1.L17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 A 0.36 L 0.1 C Shift Assignments>> C :: 174.516 CA :: 53.380 CB :: 46.453 CG :: 27.697 CD1 :: 21.938 CD2 :: 24.699 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 :: 8.306 HA :: 5.113 HB2 :: 1.229 HB3 :: 1.113 HG :: 0.722 HD11 :: 0.387 HD12 :: 0.387 HD13 :: 0.387 HD21 :: -0.428(S) HD22 :: -0.428(S) HD23 :: -0.428(S) 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 :: 121.971 Ave N Shift Values>> N :: 121.86(3.9) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 R 0.1 K 0.05 C Shift Assignments>> C :: 172.507 CA :: 55.022 CB :: 35.399 CG :: 25.896 CD :: 44.150 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 :: 8.903 HA :: 4.997 HB2 :: 1.715 HB3 :: 1.715 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 :: 130.606 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.V19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 174.434 CA :: 60.309 CB :: 35.078 CG1 :: 20.272 CG2 :: 18.782 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 :: 8.983 HA :: 4.827 HB :: 1.195 HG11 :: 0.287 HG12 :: 0.287 HG13 :: 0.287 HG21 :: -0.382(S) HG22 :: -0.382(S) HG23 :: -0.382(S) 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 :: 125.641 Ave N Shift Values>> N :: 121.14(4.54) 1.S20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.862 CA :: 56.996 CB :: 69.091(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.921 HA :: 5.872(S) HB2 :: 3.823 HB3 :: 3.600 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 :: 118.386 Ave N Shift Values>> N :: 116.28(3.52) 1.I21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.64 I 0.28 G 0.07 C Shift Assignments>> CA :: 58.127 CB :: 41.558 CG1 :: 24.022 CG2 :: 18.956 CD1 :: 16.698 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 :: 7.966 HA :: 4.770 HB :: 1.616 HG12 :: 1.217 HG13 :: -0.257(S) HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 HD11 :: 0.399 HD12 :: 0.399 HD13 :: 0.399 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 :: 109.563 Ave N Shift Values>> N :: 121.46(4.28) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.389 CA :: 61.999 CB :: 31.625 CG :: 26.531 CD :: 50.392 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.723 HB2 :: 1.398 HB3 :: 1.398 HG2 :: 2.200 HG3 :: 2.200 HD2 :: 3.724 HD3 :: 3.601 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.21 F 0.11 Y 0.07 R 0.06 N 0.03 C Shift Assignments>> CA :: 55.383 CB :: 41.786 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 :: 8.197 HA :: 4.630 HB2 :: 2.263 HB3 :: 2.521 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 :: 114.288 Ave N Shift Values>> N :: 120.65(3.86) 1.D24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> N 0.42 D 0.32 L 0.1 F 0.07 Y 0.05 C Shift Assignments>> C :: 173.613 CA :: 52.729 CB :: 39.930 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 :: 5.360(S) HA :: 4.618 HB2 :: 2.103 HB3 :: 2.381 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) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.275 CA :: 46.518 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.817 HA2 :: 3.754 HA3 :: 3.849 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.789 Ave N Shift Values>> N :: 109.67(3.87) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.2 Y 0.19 F 0.19 L 0.08 I 0.02 E 0.01 C Shift Assignments>> C :: 176.529 CA :: 55.187 CB :: 39.078 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 :: 8.363 HA :: 5.465 HB2 :: 2.628 HB3 :: 3.022 HD1 :: 6.793 HD2 :: 6.793 HE1 :: 7.565 HE2 :: 7.565 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 :: 118.957 Ave N Shift Values>> N :: 120.45(4.18) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.910 CA :: 58.218 CB :: 64.661 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.960 HA :: 5.041 HB2 :: 3.912 HB3 :: 3.912 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 :: 108.686 Ave N Shift Values>> N :: 116.28(3.52) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.33 C Shift Assignments>> C :: 172.917 CA :: 56.221 CB :: 45.835 CG :: 27.468 CD1 :: 24.704 CD2 :: 26.043 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 :: 6.796 HA :: 4.279 HB2 :: 1.084 HB3 :: 1.833 HG :: 1.509 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 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 :: 123.139 Ave N Shift Values>> N :: 121.86(3.9) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.32 D 0.1 G 0.07 F 0.05 K 0.04 Y 0.03 HN Overlap>> 1.Q89 1.Q89 C Shift Assignments>> C :: 171.518 CA :: 55.317 CB :: 43.507 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 :: 7.917 HA :: 5.327 HB2 :: 2.716 HB3 :: 2.425 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 6.970 HE2 :: 6.970 HZ :: 6.718 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 :: 123.033 Ave N Shift Values>> N :: 120.45(4.18) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 A 0.42 K 0.03 P 0.01 C Shift Assignments>> C :: 174.531 CA :: 50.003 CB :: 23.121 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.484 HA :: 5.107 HB1 :: 1.225 HB2 :: 1.225 HB3 :: 1.225 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.864 Ave N Shift Values>> N :: 123.23(3.54) 1.F31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.27 K 0.2 D 0.16 R 0.16 F 0.09 Y 0.06 N 0.01 C Shift Assignments>> C :: 171.513 CA :: 55.687 CB :: 42.334 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 :: 7.243 HA :: 4.167 HB2 :: 1.681(S) HB3 :: 2.162 HD1 :: 6.684 HD2 :: 6.684 HE1 :: 6.439 HE2 :: 6.439 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 :: 117.139 Ave N Shift Values>> N :: 120.45(4.18) 1.H32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.18 H 0.16 L 0.14 R 0.14 K 0.13 W 0.11 E 0.05 M 0.03 P 0.01 C Shift Assignments>> C :: 173.226 CA :: 52.936 CB :: 28.327 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 :: 6.681 HA :: 4.865 HB2 :: 2.095 HB3 :: 1.117(S) 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 :: 122.772 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.76 L 0.15 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 172.809 CA :: 44.961 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.009 HA2 :: 3.481 HA3 :: 5.494(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.788 Ave N Shift Values>> N :: 109.67(3.87) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 L 0.41 C Shift Assignments>> C :: 173.882 CA :: 56.083 CB :: 38.420 CG :: 26.764 CD :: 30.019 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 :: 9.902 HA :: 4.499 HB2 :: 1.730 HB3 :: 1.951 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 :: 122.616 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.21 G 0.14 A 0.02 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 176.641 CA :: 54.303 CB :: 43.508 CG :: 27.253 CD1 :: 23.775 CD2 :: 26.245 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 :: 9.736 HA :: 5.157 HB2 :: 2.079 HB3 :: 1.631 HG :: 1.651 HD11 :: 1.135 HD12 :: 1.135 HD13 :: 1.135 HD21 :: 1.058 HD22 :: 1.058 HD23 :: 1.058 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 :: 126.614 Ave N Shift Values>> N :: 121.86(3.9) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 Y 0.22 N 0.17 F 0.15 M 0.07 I 0.04 D 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 172.937 CA :: 55.868 CB :: 37.328 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 :: 10.387 HA :: 4.723 HB2 :: 3.081 HB3 :: 3.293 HD21 :: 7.549 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 :: 120.854 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 E 0.43 C Shift Assignments>> C :: 172.495 CA :: 55.886 CB :: 33.555 CG :: 36.902 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 :: 6.985 HA :: 4.357 HB2 :: 2.017 HB3 :: 1.690 HG2 :: 2.166 HG3 :: 2.371 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 :: 116.098 Ave N Shift Values>> N :: 120.67(3.48) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 K 0.09 M 0.09 I 0.08 Q 0.05 C Shift Assignments>> C :: 178.148 CA :: 56.993 CB :: 29.949 CG :: 36.582 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 :: 8.173 HA :: 2.909 HB2 :: 1.465 HB3 :: 1.465 HG2 :: 1.735 HG3 :: 1.604 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 :: 121.095 Ave N Shift Values>> N :: 120.67(3.48) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.47 C Shift Assignments>> C :: 175.521 CA :: 55.348 CB :: 33.760 CG :: 33.486 CE :: 18.772 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 :: 8.448 HA :: 4.216 HB2 :: 2.227 HB3 :: 2.227 HG2 :: 2.434 HG3 :: 2.785 HE1 :: 1.987 HE2 :: 1.987 HE3 :: 1.987 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 :: 120.852 Ave N Shift Values>> N :: 120.09(3.57) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.32 L 0.1 F 0.05 Y 0.04 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 175.250 CA :: 52.122 CB :: 40.023 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 :: 9.772 HA :: 4.696 HB2 :: 2.339 HB3 :: 2.679 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 :: 126.565 Ave N Shift Values>> N :: 120.65(3.86) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 174.923 CA :: 44.916 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.962 HA2 :: 3.745 HA3 :: 3.489 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.690 Ave N Shift Values>> N :: 109.67(3.87) 1.L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> C :: 177.046 CA :: 52.421 CB :: 38.046 CD1 :: 24.699 CD2 :: 20.061 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 :: 8.168 HA :: 3.675 HB2 :: 1.122 HB3 :: 0.258(S) HG :: 0.902 HD11 :: 0.171 HD12 :: 0.171 HD13 :: 0.171 HD21 :: -0.632(S) HD22 :: -0.632(S) HD23 :: -0.632(S) 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 :: 125.554 Ave N Shift Values>> N :: 121.86(3.9) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.3 I 0.02 Q 0.01 K 0.01 C Shift Assignments>> C :: 176.364 CA :: 55.895 CB :: 31.286 CG :: 37.037 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 :: 7.412 HA :: 4.235 HB2 :: 2.128 HB3 :: 2.128 HG2 :: 2.117 HG3 :: 2.117 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 :: 120.439 Ave N Shift Values>> N :: 120.67(3.48) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 I 0.04 V 0.01 C Shift Assignments>> C :: 179.717 CA :: 55.547 CB :: 18.809 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.586 HA :: 3.995 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.821 Ave N Shift Values>> N :: 123.23(3.54) 1.G45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.39 L 0.31 G 0.11 D 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 173.450 CA :: 43.564 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.174 HA2 :: 4.380 HA3 :: 3.087 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 96.699(S) Ave N Shift Values>> N :: 109.67(3.87) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.16 R 0.16 H 0.14 W 0.13 E 0.11 Q 0.06 V 0.02 C Shift Assignments>> C :: 177.308 CA :: 57.132 CB :: 31.782 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 :: 7.604 HA :: 4.450 HB2 :: 2.606 HB3 :: 2.723 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 :: 118.548 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.17 R 0.16 H 0.15 Q 0.12 K 0.07 M 0.06 V 0.02 I 0.02 C Shift Assignments>> C :: 173.823 CA :: 58.294 CB :: 30.342 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.218 HA :: 4.773 HB2 :: 2.927 HB3 :: 2.927 HE1 :: 11.820 HE3 :: 7.232 HZ2 :: 6.949 HZ3 :: 6.959 HH2 :: 7.130 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.743 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.02 L 0.01 C Shift Assignments>> C :: 176.218 CA :: 51.265 CB :: 20.006 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.233 HA :: 4.785 HB1 :: 1.172 HB2 :: 1.172 HB3 :: 1.172 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.984 Ave N Shift Values>> N :: 123.23(3.54) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.36 G 0.15 C Shift Assignments>> C :: 173.336 CA :: 55.571 CB :: 34.800 CG :: 27.194 CD :: 42.992 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 :: 7.691 HA :: 4.436 HB2 :: 1.637 HB3 :: 1.872 HG2 :: 1.857 HG3 :: 1.790 HD2 :: 3.472 HD3 :: 3.472 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 :: 122.392 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.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.1 F 0.07 Y 0.05 R 0.01 C Shift Assignments>> C :: 174.806 CA :: 53.587 CB :: 41.262 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 :: 8.403 HA :: 4.874 HB2 :: 2.302 HB3 :: 2.655 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 :: 124.551 Ave N Shift Values>> N :: 120.65(3.86) 1.I51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.512 CA :: 59.595 CB :: 37.026 CG1 :: 27.444 CG2 :: 19.109 CD1 :: 11.563 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 :: 10.041 HA :: 4.684 HB :: 2.961(S) HG12 :: 1.859 HG13 :: 1.859 HG21 :: 1.512 HG22 :: 1.512 HG23 :: 1.512 HD11 :: 1.109 HD12 :: 1.109 HD13 :: 1.109 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 :: 127.664 Ave N Shift Values>> N :: 121.46(4.28) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.016 CA :: 62.846 CB :: 69.852 CG2 :: 22.165 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 :: 8.658 HA :: 4.881 HB :: 4.700 HG21 :: 1.307 HG22 :: 1.307 HG23 :: 1.307 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 :: 111.831 Ave N Shift Values>> N :: 115.42(4.75) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 Q 0.17 E 0.13 K 0.12 N 0.11 Y 0.02 H 0.02 R 0.02 F 0.01 W 0.01 C Shift Assignments>> CA :: 53.479 CB :: 35.131 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 :: 7.440 HA :: 4.636 HB2 :: 1.638 HB3 :: 1.720 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 :: 120.768 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.95 A 0.02 G 0.01 C Shift Assignments>> CA :: 61.332 CB :: 30.626 CG :: 24.606 CD :: 49.711 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.820 HB2 :: -0.249(S) HB3 :: 1.024 HG2 :: 1.449 HG3 :: 1.449 HD2 :: 3.287 HD3 :: 2.717 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 M 0.23 Q 0.14 K 0.13 Y 0.05 F 0.02 H 0.01 N 0.01 I 0.01 R 0.01 V 0.01 W 0.01 C Shift Assignments>> CA :: 56.410 CB :: 35.357 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 :: 8.626 HA :: 4.286 HB2 :: 1.648 HB3 :: 1.701 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 :: 117.564 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.37 K 0.05 Q 0.04 L 0.03 R 0.01 C Shift Assignments>> C :: 176.247 CA :: 57.031 CB :: 27.021 CG :: 36.795 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 :: 9.436 HA :: 3.800 HB2 :: 1.945 HB3 :: 1.945 HG2 :: 2.164 HG3 :: 2.164 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 :: 123.986 Ave N Shift Values>> N :: 120.67(3.48) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.381 CA :: 45.527 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.828 HA2 :: 3.622 HA3 :: 4.091 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.933 Ave N Shift Values>> N :: 109.67(3.87) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.34 G 0.13 C Shift Assignments>> C :: 173.643 CA :: 54.973 CB :: 34.880 CG :: 27.820 CD :: 42.951 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 :: 7.683 HA :: 5.098 HB2 :: 1.672 HB3 :: 1.410 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 :: 117.783 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.W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.17 E 0.14 W 0.14 R 0.14 K 0.13 M 0.05 I 0.01 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 175.458 CA :: 56.085 CB :: 29.662 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.964 HA :: 4.506 HB2 :: 2.918 HB3 :: 2.557 HD1 :: 6.792 HE1 :: 11.634 HE3 :: 7.337 HZ2 :: 7.359 HZ3 :: 6.902 HH2 :: 6.815 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.260 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.878 CA :: 62.106 CB :: 70.939 CG2 :: 22.331 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 :: 8.434 HA :: 4.995 HB :: 3.717 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 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 :: 116.703 Ave N Shift Values>> N :: 115.42(4.75) 1.F61 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 0.15 Y 0.12 R 0.03 N 0.03 I 0.01 C Shift Assignments>> C :: 172.863 CA :: 56.053 CB :: 41.387 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 :: 9.801 HA :: 4.770 HB2 :: 2.586 HB3 :: 2.863 HD1 :: 6.629 HD2 :: 6.629 HE1 :: 6.801 HE2 :: 6.801 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 :: 128.279 Ave N Shift Values>> N :: 120.45(4.18) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 K 0.41 G 0.17 C Shift Assignments>> C :: 174.287 CA :: 54.231 CB :: 33.975 CG :: 28.237 CD :: 43.248 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 :: 7.734 HA :: 4.613 HG2 :: 1.404 HG3 :: 1.162 HD2 :: 2.905 HD3 :: 3.056 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 :: 125.454 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.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.28 R 0.14 K 0.1 F 0.04 N 0.04 Y 0.02 G 0.02 C Shift Assignments>> CA :: 53.158 CB :: 42.524 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 :: 7.892 HA :: 4.766 HB2 :: 2.622 HB3 :: 2.622 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 :: 118.650 Ave N Shift Values>> N :: 120.65(3.86) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.71 K 0.17 G 0.1 C Shift Assignments>> C :: 175.485 CA :: 58.123 CB :: 30.040 CG :: 28.346 CD :: 43.299 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>> HA :: 4.211 HB2 :: 1.886 HB3 :: 1.886 HG2 :: 1.587 HG3 :: 1.587 HD2 :: 3.127 HD3 :: 3.127 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) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.29 L 0.16 F 0.07 Y 0.06 K 0.02 C Shift Assignments>> C :: 175.759 CA :: 53.053 CB :: 40.470 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 :: 8.297 HA :: 4.773 HB2 :: 2.862 HB3 :: 2.787 HD21 :: 7.852 HD22 :: 6.966 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 :: 111.988 ND2 :: 112.973 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 L 0.01 C Shift Assignments>> C :: 175.241 CA :: 53.662 CB :: 19.290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.930 HA :: 4.253 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.717 Ave N Shift Values>> N :: 123.23(3.54) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 175.353 CA :: 55.416 CB :: 32.465 CG :: 24.862 CD :: 29.335 CE :: 42.261 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 :: 8.596 HA :: 4.793 HB2 :: 1.632 HB3 :: 1.982 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 :: 126.382 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.34 R 0.14 A 0.01 C Shift Assignments>> C :: 175.083 CA :: 53.789 CB :: 44.260 CG :: 27.623 CD1 :: 26.572 CD2 :: 24.173 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 :: 8.834 HA :: 4.923 HB2 :: 2.096 HB3 :: 1.591 HG :: 1.141 HD11 :: 1.114 HD12 :: 1.114 HD13 :: 1.114 HD21 :: 1.164 HD22 :: 1.164 HD23 :: 1.164 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 :: 128.033 Ave N Shift Values>> N :: 121.86(3.9) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 E 0.24 N 0.23 K 0.07 Y 0.06 Q 0.06 F 0.03 H 0.01 C Shift Assignments>> C :: 175.787 CA :: 53.909 CB :: 35.916 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 :: 9.140 HA :: 4.926 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.344 HG3 :: 1.344 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 :: 119.250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 A 0.01 C Shift Assignments>> C :: 178.715 CA :: 56.689 CB :: 41.278 CG :: 26.892 CD1 :: 25.324 CD2 :: 23.208 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 :: 8.592 HA :: 3.626 HB2 :: 1.353 HB3 :: 1.680 HG :: 1.782 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.505 HD22 :: 0.505 HD23 :: 0.505 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 :: 119.569 Ave N Shift Values>> N :: 121.86(3.9) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.17 R 0.05 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.789 CA :: 44.880 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.930 HA2 :: 3.290 HA3 :: 4.327 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.606 Ave N Shift Values>> N :: 109.67(3.87) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.22 D 0.15 R 0.15 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> C :: 174.552 CA :: 55.952 CB :: 42.265 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 :: 8.104 HA :: 4.859 HB2 :: 2.509 HB3 :: 2.986 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 :: 121.518 Ave N Shift Values>> N :: 120.65(3.86) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 E 0.26 M 0.16 Y 0.1 F 0.06 K 0.04 Q 0.02 D 0.01 I 0.01 C Shift Assignments>> C :: 175.297 CA :: 54.428 CB :: 36.509 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 :: 8.572 HA :: 5.307 HB2 :: 1.305 HB3 :: 1.618 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 :: 117.687 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.825 CA :: 60.004 CB :: 40.534 CG1 :: 28.951 CG2 :: 17.565 CD1 :: 14.873 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 :: 9.352 HA :: 5.371 HB :: 2.143 HG12 :: 1.905 HG13 :: 1.501 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 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 :: 121.836 Ave N Shift Values>> N :: 121.46(4.28) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 D 0.16 L 0.12 N 0.06 I 0.05 K 0.01 C Shift Assignments>> C :: 176.272 CA :: 56.753 CB :: 39.808 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 :: 8.968 HA :: 5.402 HB2 :: 3.308 HB3 :: 3.055 HD1 :: 7.167 HD2 :: 7.167 HE1 :: 6.652 HE2 :: 6.652 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 :: 128.716 Ave N Shift Values>> N :: 120.52(4.2) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.22 R 0.07 F 0.03 Y 0.01 D 0.01 C Shift Assignments>> C :: 173.462 CA :: 56.665 CB :: 45.076 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 :: 8.780 HA :: 6.062 HB2 :: 2.766 HB3 :: 3.043 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 7.207 HE2 :: 7.207 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 :: 118.636 Ave N Shift Values>> N :: 120.45(4.18) 1.W77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.19 R 0.16 K 0.15 H 0.15 W 0.12 E 0.1 Q 0.07 V 0.01 C Shift Assignments>> C :: 174.321 CA :: 56.251 CB :: 31.716 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.288 HA :: 5.264 HB2 :: 3.745 HB3 :: 3.449 HD1 :: 7.002 HE1 :: 10.334 HZ2 :: 6.182(S) HZ3 :: 6.585 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.068 NE1 :: 130.130 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.02 C Shift Assignments>> C :: 173.021 CA :: 58.487 CB :: 71.805 CG2 :: 22.321 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 :: 9.017 HA :: 5.309 HB :: 4.540 HG1 :: 5.580 HG21 :: 1.506 HG22 :: 1.506 HG23 :: 1.506 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 :: 107.308 Ave N Shift Values>> N :: 115.42(4.75) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.32 G 0.12 D 0.08 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 173.891 CA :: 55.711 CB :: 43.830 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 :: 8.528 HA :: 5.772 HB2 :: 3.191 HB3 :: 2.832 HD1 :: 6.966 HD2 :: 6.966 HE1 :: 6.591 HE2 :: 6.591 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 :: 119.113 Ave N Shift Values>> N :: 120.52(4.2) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 A 0.16 C Shift Assignments>> C :: 174.128 CA :: 58.050 CB :: 35.993 CG1 :: 20.412 CG2 :: 21.467 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 :: 8.633 HA :: 4.762 HB :: 1.181 HG11 :: 0.489 HG12 :: 0.489 HG13 :: 0.489 HG21 :: 0.103 HG22 :: 0.103 HG23 :: 0.103 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 :: 119.047 Ave N Shift Values>> N :: 121.14(4.54) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.275 CA :: 59.457 CB :: 38.501 CG1 :: 27.241 CG2 :: 17.182 CD1 :: 13.153 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 :: 6.708 HA :: 4.707 HB :: 1.449 HG12 :: 0.591 HG13 :: 1.277 HG21 :: 0.604 HG22 :: 0.604 HG23 :: 0.604 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 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 :: 117.042 Ave N Shift Values>> N :: 121.46(4.28) 1.K82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.66 R 0.29 G 0.03 C Shift Assignments>> C :: 175.461 CA :: 55.350 CB :: 36.274 CG :: 25.002 CD :: 28.775 CE :: 42.279 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 :: 9.427 HA :: 4.782 HB2 :: 1.888 HB3 :: 1.430 HD2 :: 1.157 HD3 :: 0.752(S) 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 :: 129.587 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.21 Y 0.21 N 0.15 L 0.13 I 0.02 C Shift Assignments>> C :: 175.699 CA :: 55.628 CB :: 39.672 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 :: 9.926 HA :: 4.282 HB2 :: 2.929 HB3 :: 2.712 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 :: 131.152 Ave N Shift Values>> N :: 120.65(3.86) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 173.176 CA :: 45.319 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.153 HA2 :: 4.126 HA3 :: 3.437 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 98.898 Ave N Shift Values>> N :: 109.67(3.87) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 G 0.29 A 0.04 R 0.03 C Shift Assignments>> C :: 174.287 CA :: 53.481 CB :: 44.170 CG :: 27.141 CD1 :: 25.285 CD2 :: 23.360 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 :: 7.620 HA :: 4.567 HB2 :: 1.749 HB3 :: 1.197 HG :: 1.535 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 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 :: 122.773 Ave N Shift Values>> N :: 121.86(3.9) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.24 R 0.13 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.264 CA :: 44.500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.114 HA2 :: 3.340 HA3 :: 4.746 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.142 Ave N Shift Values>> N :: 109.67(3.87) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.26 F 0.09 K 0.07 D 0.06 Y 0.06 G 0.05 C Shift Assignments>> C :: 173.631 CA :: 57.009 CB :: 43.387 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 :: 8.715 HA :: 4.755 HB2 :: 2.299 HB3 :: 3.113 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 6.785 HE2 :: 6.785 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 :: 121.728 Ave N Shift Values>> N :: 120.52(4.2) 1.R88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.43 R 0.38 K 0.18 C Shift Assignments>> C :: 178.571 CA :: 54.874 CB :: 35.218 CG :: 27.322 CD :: 43.464 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 :: 8.755 HA :: 5.857(S) HB2 :: 2.048 HB3 :: 1.696 HD2 :: 3.136 HD3 :: 2.853 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 :: 115.798 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.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.34 R 0.23 M 0.05 E 0.01 HN Overlap>> 1.F29 1.F29 C Shift Assignments>> C :: 174.598 CA :: 56.593 CB :: 27.938 CG :: 33.056 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 :: 7.897 HA :: 4.620 HB2 :: 2.760 HB3 :: 2.760 HG2 :: 2.052 HG3 :: 2.613 HE21 :: 7.689 HE22 :: 7.554 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 :: 122.932 NE2 :: 107.011 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.33 R 0.17 D 0.1 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.907 CA :: 53.465 CB :: 44.135 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 :: 8.499 HA :: 5.220 HB2 :: 2.548 HB3 :: 2.406 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 :: 124.149 Ave N Shift Values>> N :: 120.65(3.86) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 E 0.18 Y 0.13 F 0.09 M 0.09 D 0.04 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 174.963 CA :: 54.435 CB :: 37.108 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>> HA :: 4.535 HB2 :: 2.807 HB3 :: 2.974 HD21 :: 7.698 HD22 :: 6.944 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 :: 111.794 ND2 :: 112.279 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 175.018 CA :: 45.224 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.065 HA2 :: 1.357(S) HA3 :: 3.509 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.531 Ave N Shift Values>> N :: 109.67(3.87) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 E 0.4 Q 0.02 C Shift Assignments>> C :: 174.557 CA :: 56.170 CB :: 33.366 CG :: 36.250 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 :: 8.425 HA :: 5.164 HB2 :: 1.945 HB3 :: 1.945 HG2 :: 2.025 HG3 :: 2.025 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 :: 127.341 Ave N Shift Values>> N :: 120.67(3.48) 1.W94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 M 0.19 Q 0.17 R 0.1 H 0.09 W 0.08 E 0.05 V 0.05 C Shift Assignments>> C :: 173.552 CA :: 57.506 CB :: 32.975 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.132 HA :: 5.028 HB2 :: 3.072 HB3 :: 3.442 HD1 :: 7.514 HE1 :: 9.865 HZ2 :: 7.319 HZ3 :: 6.514 HH2 :: 6.766 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.593 NE1 :: 130.780 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.298 CA :: 60.576 CB :: 70.410 CG2 :: 20.822 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 :: 7.423 HA :: 4.791 HB :: 3.511 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 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 :: 122.587 Ave N Shift Values>> N :: 115.42(4.75) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.594 CA :: 63.027 CB :: 30.694 CG1 :: 21.279 CG2 :: 22.373 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 :: 8.503 HA :: 2.828 HB :: 2.025 HG11 :: 0.125 HG12 :: 0.125 HG13 :: 0.125 HG21 :: 0.584 HG22 :: 0.584 HG23 :: 0.584 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 :: 125.112 Ave N Shift Values>> N :: 121.14(4.54) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.685 CA :: 61.872 CB :: 70.173 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 :: 8.804 HA :: 4.296 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 120.476 Ave N Shift Values>> N :: 115.42(4.75) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 Q 0.34 E 0.11 K 0.07 C Shift Assignments>> C :: 172.862 CA :: 55.243 CB :: 31.207 CG :: 34.010 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 :: 7.763 HA :: 4.427 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 1.944 HG3 :: 2.178 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 :: 118.408 Ave N Shift Values>> N :: 120.67(3.48) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 K 0.14 F 0.1 D 0.09 Y 0.06 G 0.02 C Shift Assignments>> C :: 176.308 CA :: 56.602 CB :: 42.894 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 :: 8.775 HA :: 5.414 HB2 :: 2.685 HB3 :: 2.971 HD1 :: 7.066 HD2 :: 7.066 HE1 :: 7.260 HE2 :: 7.260 HZ :: 7.124 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 :: 117.961 Ave N Shift Values>> N :: 120.45(4.18) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 A 0.1 I 0.01 C Shift Assignments>> C :: 175.677 CA :: 58.929 CB :: 35.567 CG1 :: 21.549 CG2 :: 18.354 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 :: 9.176 HA :: 5.053 HB :: 2.012 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 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 :: 112.559 Ave N Shift Values>> N :: 121.14(4.54) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.35 L 0.13 F 0.07 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.883 CA :: 52.833 CB :: 40.192 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 :: 9.113 HA :: 5.034 HB2 :: 2.774 HB3 :: 3.024 HD21 :: 7.409 HD22 :: 6.566 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 :: 115.945 ND2 :: 115.870 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 I 0.19 K 0.13 E 0.13 Q 0.1 H 0.09 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 178.327 CA :: 59.810 CB :: 28.943 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 :: 9.088 HA :: 3.905 HB2 :: 2.116 HB3 :: 1.971 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 :: 120.609 Ave N Shift Values>> N :: 120.67(3.48) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.31 L 0.13 F 0.11 Y 0.1 C Shift Assignments>> C :: 177.269 CA :: 53.983 CB :: 39.864 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 :: 7.989 HA :: 4.415 HB2 :: 2.621 HB3 :: 3.068 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 :: 114.417 Ave N Shift Values>> N :: 120.65(3.86) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 174.494 CA :: 44.930 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.443 HA2 :: 3.352 HA3 :: 4.332 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.087 Ave N Shift Values>> N :: 109.67(3.87) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.507 CB :: 69.057 CG2 :: 22.123 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 :: 8.133 HA :: 4.521 HB :: 4.340 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 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 :: 112.459 Ave N Shift Values>> N :: 115.42(4.75) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 I 0.01 R 0.01 C Shift Assignments>> C :: 176.630 CA :: 64.311 CB :: 32.094 CG :: 28.021 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.398 HD2 :: 3.890 HD3 :: 3.595 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.05 C Shift Assignments>> C :: 176.910 CA :: 51.517 CB :: 19.469 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.284 HA :: 4.300 HB1 :: 0.871 HB2 :: 0.871 HB3 :: 0.871 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.149 Ave N Shift Values>> N :: 123.23(3.54) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.19 F 0.08 Y 0.06 K 0.04 C Shift Assignments>> C :: 176.722 CA :: 53.437 CB :: 40.721 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 :: 8.509 HA :: 4.646 HB2 :: 2.764 HB3 :: 2.534 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 :: 121.045 Ave N Shift Values>> N :: 120.65(3.86) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.976 CA :: 61.712 CB :: 68.638 CG2 :: 21.203 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 :: 8.140 HA :: 3.935 HB :: 4.245 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 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 :: 113.563 Ave N Shift Values>> N :: 115.42(4.75) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.562 CA :: 59.416 CB :: 63.777 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.323 HA :: 4.333 HB2 :: 3.890 HB3 :: 3.890 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 :: 116.873 Ave N Shift Values>> N :: 116.28(3.52) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.21 K 0.17 R 0.14 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 177.067 CA :: 54.793 CB :: 42.340 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 :: 7.847 HA :: 4.355 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 :: 122.573 Ave N Shift Values>> N :: 121.86(3.9) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.17 R 0.15 W 0.13 K 0.12 E 0.11 M 0.07 C Shift Assignments>> CA :: 54.491 CB :: 29.680 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 :: 8.188 HA :: 4.528 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 :: 122.369 Ave N Shift Values>> N :: 120.67(3.48) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.48 V 0.44 W 0.02 I 0.01 C Shift Assignments>> CA :: 63.283 CB :: 32.106 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.382 HD2 :: 3.787 HD3 :: 3.660 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) ########################################################################### Overall Results: #Consistent: 95 #Clerical: 0 #Suspicious: 18 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 0 C Shift Results: #Consistent: 413 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 676 #Duplicate: 0 #Unknown: 0 #Suspicious: 24 #Anomalous: 0 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L9 HB2 = -0.833(S), Expected = 1.61, Std = 0.3400, ChiSquare = 6.7063e-13 1.L9 HB3 = -1.182(S), Expected = 1.52, Std = 0.3600, ChiSquare = 6.1169e-14 1.E10 CB = 35.969(S), Expected = 30.01, Std = 1.7200, ChiSquare = 5.3115e-04 1.L17 HD21 = -0.428(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5214e-05 1.L17 HD22 = -0.428(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5214e-05 1.L17 HD23 = -0.428(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5214e-05 1.V19 HG21 = -0.382(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4276e-05 1.V19 HG22 = -0.382(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4276e-05 1.V19 HG23 = -0.382(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4276e-05 1.S20 CB = 69.091(S), Expected = 63.80, Std = 1.4800, ChiSquare = 3.5023e-04 1.S20 HA = 5.872(S), Expected = 4.48, Std = 0.4000, ChiSquare = 5.0141e-04 1.I21 HG13 = -0.257(S), Expected = 1.19, Std = 0.4100, ChiSquare = 4.1671e-04 1.D24 H = 5.360(S), Expected = 8.31, Std = 0.5800, ChiSquare = 3.6530e-07 1.F31 HB2 = 1.681(S), Expected = 3.00, Std = 0.3700, ChiSquare = 3.6404e-04 1.H32 HB3 = 1.117(S), Expected = 3.04, Std = 0.3800, ChiSquare = 4.1810e-07 1.G33 HA3 = 5.494(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.6466e-05 1.L42 HB3 = 0.258(S), Expected = 1.52, Std = 0.3600, ChiSquare = 4.5566e-04 1.L42 HD21 = -0.632(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6459e-06 1.L42 HD22 = -0.632(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6459e-06 1.L42 HD23 = -0.632(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6459e-06 1.G45 N = 96.699(S), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0323e-04 1.I51 HB = 2.961(S), Expected = 1.78, Std = 0.2900, ChiSquare = 4.6528e-05 1.P54 HB2 = -0.249(S), Expected = 2.08, Std = 0.3500, ChiSquare = 2.8468e-11 1.W77 HZ2 = 6.182(S), Expected = 7.28, Std = 0.3300, ChiSquare = 8.7700e-04 1.K82 HD3 = 0.752(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.1594e-04 1.R88 HA = 5.857(S), Expected = 4.30, Std = 0.4600, ChiSquare = 7.1235e-04 1.G92 HA2 = 1.357(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.6393e-12