Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.71 Q 0.23 E 0.04 C Shift Assignments>> CA :: 55.976 CB :: 33.446 CG :: 32.504 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>> HA :: 4.343 HB2 :: 1.900 HG2 :: 2.364 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) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.802 CB :: 33.192 CG1 :: 21.239 CG2 :: 21.351 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 :: 8.021 HA :: 3.975 HB :: 1.938 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 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 :: 121.358 Ave N Shift Values>> N :: 121.14(4.54) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.2 I 0.04 K 0.03 Q 0.03 C Shift Assignments>> CA :: 56.968 CB :: 30.819 CG :: 36.677 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 :: 8.353 HA :: 4.195 HB2 :: 1.888 HG2 :: 2.132 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 :: 124.728 Ave N Shift Values>> N :: 120.67(3.48) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.859 CB :: 64.084 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.189 HA :: 4.284 HB2 :: 3.741 HB3 :: 3.742 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 :: 117.206 Ave N Shift Values>> N :: 116.28(3.52) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.3 C Shift Assignments>> CA :: 56.674 CB :: 33.415 CG :: 25.121 CD :: 29.567 CE :: 42.519 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 :: 8.119 HA :: 3.986 HB2 :: 1.679 HG2 :: 1.307 HD2 :: 1.579 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 :: 122.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.36 HN Overlap>> 1.T13 1.T13 C Shift Assignments>> CA :: 56.531 CB :: 33.430 CG :: 25.166 CD :: 29.357 CE :: 42.954 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 :: 8.111 HA :: 4.212 HB2 :: 1.652 HB3 :: 1.830 HG2 :: 1.567 HG3 :: 1.306 HD2 :: 1.724 HD3 :: 1.624 HE2 :: 2.863 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 :: 122.547 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.045 CB :: 39.221 CG2 :: 18.148 CD1 :: 12.913 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 :: 7.975 HA :: 4.043 HB :: 1.704 HG12 :: 1.386 HG13 :: 1.122 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 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 :: 123.836 Ave N Shift Values>> N :: 121.46(4.28) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 L 0.02 C Shift Assignments>> CA :: 52.668 CB :: 20.027 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.442 HA :: 4.264 HB1 :: 1.299 HB2 :: 1.299 HB3 :: 1.299 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.325 Ave N Shift Values>> N :: 123.23(3.54) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.42 C Shift Assignments>> CA :: 54.572 CB :: 35.552 CG :: 25.021 CD :: 29.479 CE :: 42.791 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 :: 8.068 HA :: 4.779 HB2 :: 1.235 HB3 :: 1.560 HG2 :: 1.295 HG3 :: 1.059 HD2 :: 1.458 HE2 :: 2.778 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 :: 117.661 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.1 A 0.01 C Shift Assignments>> CA :: 54.457 CB :: 34.941 CG :: 24.337 CD :: 28.606 CE :: 42.348 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 :: 9.150 HA :: 4.327 HB2 :: 1.173 HB3 :: 1.289 HG2 :: 0.595 HG3 :: 0.842 HD2 :: 1.279 HD3 :: 1.165 HE2 :: 2.587 HE3 :: 2.467 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 :: 123.396 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.36 C Shift Assignments>> CA :: 56.473 CB :: 33.807 CG :: 25.675 CD :: 29.303 CE :: 42.319 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 :: 8.381 HA :: 4.771 HB2 :: 1.535 HB3 :: 1.454 HG2 :: 1.091 HD2 :: 1.238 HD3 :: 1.261 HE2 :: 2.764 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 :: 125.807 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.408 CB :: 70.848 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 :: 8.716 HA :: 4.491 HB :: 3.760 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 119.245 Ave N Shift Values>> N :: 115.42(4.75) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K6 1.K6 C Shift Assignments>> CA :: 62.590 CB :: 70.610 CG2 :: 22.172 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 :: 8.187 HA :: 4.912 HB :: 3.784 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 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 :: 122.630 Ave N Shift Values>> N :: 115.42(4.75) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 A 0.01 C Shift Assignments>> CA :: 53.835 CB :: 45.299 CG :: 27.505 CD1 :: 24.946 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 :: 8.707 HA :: 4.429 HB2 :: 1.230 HB3 :: 1.284 HG :: 1.389 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.667 HD22 :: 0.667 HD23 :: 0.667 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 :: 126.794 Ave N Shift Values>> N :: 121.86(3.9) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 L 0.04 M 0.01 C Shift Assignments>> CA :: 50.828 CB :: 20.869 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.768 HA :: 4.834 HB1 :: 0.980 HB2 :: 0.980 HB3 :: 0.980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.460 Ave N Shift Values>> N :: 123.23(3.54) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 R 0.34 D 0.07 F 0.07 Y 0.04 K 0.01 C Shift Assignments>> CA :: 55.964 CB :: 44.260 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 :: 8.267 HA :: 4.835 HB2 :: 3.202 HB3 :: 2.639 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 :: 120.500 Ave N Shift Values>> N :: 120.45(4.18) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.24 R 0.15 D 0.12 F 0.12 Y 0.08 C Shift Assignments>> CA :: 56.474 CB :: 42.236 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 :: 9.562 HA :: 4.568 HB2 :: 2.791 HB3 :: 2.581 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 :: 124.606 Ave N Shift Values>> N :: 120.65(3.86) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.43 M 0.03 K 0.03 Q 0.01 C Shift Assignments>> CA :: 60.959 CB :: 30.287 CG :: 36.589 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 :: 8.990 HA :: 3.742 HB2 :: 1.901 HB3 :: 1.835 HG2 :: 2.221 HG3 :: 2.120 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 :: 123.565 Ave N Shift Values>> N :: 120.67(3.48) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 D 0.11 L 0.07 I 0.07 N 0.06 E 0.01 C Shift Assignments>> CA :: 56.926 CB :: 39.231 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 :: 8.334 HA :: 4.527 HB2 :: 2.694 HB3 :: 2.372 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 :: 118.092 Ave N Shift Values>> N :: 120.65(3.86) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.607 CB :: 32.260 CG1 :: 23.800 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 :: 8.026 HA :: 3.275 HB :: 2.301 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.653 HG22 :: 0.653 HG23 :: 0.653 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 :: 126.938 Ave N Shift Values>> N :: 121.14(4.54) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 Y 0.12 F 0.12 C Shift Assignments>> CA :: 63.011 CB :: 38.985 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 :: 8.367 HA :: 3.554 HB2 :: 2.965 HB3 :: 2.736 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 :: 118.599 Ave N Shift Values>> N :: 120.52(4.2) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.23 E 0.13 R 0.11 V 0.11 I 0.1 H 0.1 Q 0.07 K 0.05 M 0.03 P 0.02 C Shift Assignments>> CA :: 60.312 CB :: 30.311 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 :: 8.851 HA :: 4.050 HB2 :: 3.369 HB3 :: 3.189 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 :: 116.358 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 T 0.32 C Shift Assignments>> CA :: 68.442 CG2 :: 22.108 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 :: 7.870 HA :: 4.125 HB :: 3.649 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 :: 115.251 Ave N Shift Values>> N :: 115.42(4.75) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 K 0.01 C Shift Assignments>> CA :: 58.398 CB :: 42.398 CG :: 24.981 CD1 :: 24.419 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 :: 8.260 HA :: 3.734 HB2 :: 1.384 HB3 :: 1.410 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.474 HD22 :: 0.474 HD23 :: 0.474 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 :: 121.640 Ave N Shift Values>> N :: 121.86(3.9) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.2 C Shift Assignments>> CA :: 60.037 CB :: 31.717 CG :: 25.034 CD :: 29.458 CE :: 42.444 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 :: 8.224 HA :: 3.742 HB2 :: 1.436 HB3 :: 1.729 HG2 :: 1.158 HD2 :: 1.479 HE2 :: 2.816 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 :: 120.687 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 K 0.03 C Shift Assignments>> CA :: 58.553 CB :: 42.463 CG :: 25.773 CD1 :: 23.062 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 :: 7.607 HA :: 3.936 HB2 :: 1.898 HB3 :: 1.373 HG :: 1.598 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 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 :: 119.051 Ave N Shift Values>> N :: 121.86(3.9) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.719 CB :: 32.060 CG1 :: 23.109 CG2 :: 23.071 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 :: 8.411 HA :: 3.461 HB :: 2.250 HG11 :: 1.048 HG12 :: 1.048 HG13 :: 1.048 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 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 :: 120.057 Ave N Shift Values>> N :: 121.14(4.54) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.26 V 0.25 T 0.22 I 0.18 F 0.01 Y 0.01 W 0.01 S 0.01 C Shift Assignments>> CA :: 63.069 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.443 HA :: 3.973 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 :: 115.928 Ave N Shift Values>> N :: 116.28(3.52) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.369 CB :: 32.336 CG1 :: 22.837 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 :: 7.521 HA :: 3.748 HB :: 2.048 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 120.712 Ave N Shift Values>> N :: 121.14(4.54) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 Y 0.18 F 0.17 C Shift Assignments>> CA :: 62.036 CB :: 38.921 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 :: 7.968 HA :: 4.157 HB2 :: 3.149 HB3 :: 2.943 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 :: 121.113 Ave N Shift Values>> N :: 120.52(4.2) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 A 0.12 K 0.07 C Shift Assignments>> CA :: 55.028 CB :: 42.674 CG :: 27.174 CD1 :: 22.484 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 :: 8.417 HA :: 4.051 HB2 :: 1.610 HB3 :: 1.504 HG :: 1.961 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 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 :: 114.228 Ave N Shift Values>> N :: 121.86(3.9) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 Y 0.14 F 0.11 E 0.09 D 0.08 M 0.04 L 0.02 I 0.01 C Shift Assignments>> CA :: 54.292 CB :: 37.677 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 :: 7.822 HA :: 4.220 HB2 :: 3.112 HB3 :: 2.519 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 :: 117.898 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.89 K 0.1 C Shift Assignments>> CA :: 54.725 CB :: 35.662 CG :: 27.074 CD :: 44.183 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 :: 7.944 HA :: 4.525 HB2 :: 1.669 HB3 :: 1.179 HG2 :: 1.498 HG3 :: 1.660 HD2 :: 3.256 HD3 :: 2.769 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 :: 116.306 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.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.31 D 0.14 K 0.07 F 0.06 Y 0.03 C Shift Assignments>> CA :: 54.939 CB :: 43.261 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 :: 8.481 HA :: 4.311 HB2 :: 2.493 HB3 :: 2.572 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 :: 122.875 Ave N Shift Values>> N :: 120.65(3.86) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 Q 0.2 E 0.18 I 0.01 C Shift Assignments>> CA :: 60.618 CB :: 34.191 CG :: 32.443 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 :: 8.745 HA :: 3.591 HB2 :: 1.937 HG2 :: 2.189 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 :: 125.065 Ave N Shift Values>> N :: 120.09(3.57) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.160 CB :: 68.463 CG2 :: 23.005 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 :: 8.314 HA :: 3.590 HB :: 4.141 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 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 :: 112.506 Ave N Shift Values>> N :: 115.42(4.75) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.4 M 0.03 K 0.02 C Shift Assignments>> CA :: 59.658 CB :: 30.167 CG :: 37.355 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 :: 7.312 HA :: 4.089 HB2 :: 2.123 HB3 :: 2.255 HG2 :: 2.260 HG3 :: 2.300 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 :: 121.383 Ave N Shift Values>> N :: 120.67(3.48) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.725 CB :: 37.747 CG2 :: 14.264 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 :: 7.207 HA :: 2.982 HB :: 1.302 HG12 :: 1.275 HG21 :: 0.443 HG22 :: 0.443 HG23 :: 0.443 HD11 :: 0.428 HD12 :: 0.428 HD13 :: 0.428 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 :: 118.923 Ave N Shift Values>> N :: 121.46(4.28) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.580 CB :: 37.923 CG2 :: 18.243 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 :: 7.756 HA :: 3.089 HB :: 1.655 HG13 :: 0.721 HG21 :: 0.674 HG22 :: 0.674 HG23 :: 0.674 HD11 :: 0.504 HD12 :: 0.504 HD13 :: 0.504 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 :: 117.749 Ave N Shift Values>> N :: 121.46(4.28) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 E 0.04 C Shift Assignments>> CA :: 61.668 CB :: 29.922 CG :: 38.746 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 :: 8.164 HA :: 3.628 HB2 :: 2.097 HB3 :: 1.964 HG2 :: 2.281 HG3 :: 2.240 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 :: 117.948 Ave N Shift Values>> N :: 120.67(3.48) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 E 0.05 C Shift Assignments>> CA :: 61.253 CB :: 30.458 CG :: 38.972 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 :: 7.952 HA :: 3.538 HB2 :: 2.146 HG2 :: 2.368 HG3 :: 2.433 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 :: 119.281 Ave N Shift Values>> N :: 120.67(3.48) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.22 I 0.07 C Shift Assignments>> CA :: 55.889 CB :: 17.733 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.458 HA :: 4.038 HB1 :: 1.246 HB2 :: 1.246 HB3 :: 1.246 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.358 Ave N Shift Values>> N :: 123.23(3.54) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.362 CB :: 31.916 CG1 :: 22.717 CG2 :: 22.727 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 :: 8.474 HA :: 3.449 HB :: 2.168 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 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 :: 119.540 Ave N Shift Values>> N :: 121.14(4.54) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 I 0.03 P 0.02 C Shift Assignments>> CA :: 68.759 CB :: 31.462 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 :: 8.361 HA :: 3.402 HB :: 1.833 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 0.155 HG22 :: 0.155 HG23 :: 0.155 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 :: 121.473 Ave N Shift Values>> N :: 121.14(4.54) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 Q 0.17 E 0.03 C Shift Assignments>> CA :: 59.733 CB :: 33.079 CG :: 33.166 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 :: 8.681 HA :: 4.063 HB2 :: 2.273 HB3 :: 2.265 HG2 :: 2.821 HG3 :: 2.549 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 :: 117.866 Ave N Shift Values>> N :: 120.09(3.57) 1.W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 V 0.35 I 0.1 W 0.06 R 0.01 E 0.01 H 0.01 C Shift Assignments>> CA :: 63.129 CB :: 30.767 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 :: 8.302 HA :: 3.929 HB2 :: 3.652 HB3 :: 3.213 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 :: 121.939 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 K 0.19 C Shift Assignments>> CA :: 59.240 CB :: 42.369 CG :: 26.524 CD1 :: 24.008 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 :: 8.779 HA :: 3.767 HB2 :: 2.331 HB3 :: 1.234 HG :: 2.290 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 121.457 Ave N Shift Values>> N :: 121.86(3.9) 1.I48 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Anomalous C Shift Assignments>> C :: 0.119(A) 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 :: 4.066(S) HA :: 3.353 HB :: 1.827 HG12 :: 0.936 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 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 :: 0.099(A) Ave N Shift Values>> N :: 121.46(4.28) 1.Q49 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 C Shift Assignments>> C :: 0.069(A) 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 :: 0.006(A) 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 :: 0.079(A) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N50 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.S66 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.S66 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.123(A) 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 :: 0.008(A) 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 :: 0.041(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K51 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.196(A) 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 :: 0.008(A) 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 :: 0.055(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E52 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.D63 1.K51 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.D63 1.K51 1.F69 1.R68 1.N56 1.I65 1.Q49 1.F69 1.R68 1.N56 1.I65 1.Q49 C Shift Assignments>> C :: 0.089(A) 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 :: 0.056(A) 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 :: 0.152(A) Ave N Shift Values>> N :: 120.67(3.48) 1.K53 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K59 1.L54 1.K59 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 C Shift Assignments>> C :: 0.188(A) 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 :: 0.120(A) 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 :: 0.054(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L54 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.078(A) 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 :: 0.010(A) 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 :: 0.044(A) Ave N Shift Values>> N :: 121.86(3.9) 1.P55 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 0.092(A) 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) 1.N56 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.I65 1.A72 1.L58 1.Q49 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.114(A) 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 :: 0.008(A) 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 :: 0.121(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E57 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.088(A) 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 :: 0.009(A) 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 :: 0.044(A) Ave N Shift Values>> N :: 120.67(3.48) 1.L58 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.Q49 1.Q49 C Shift Assignments>> C :: 0.071(A) 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 :: 0.006(A) 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 :: 0.047(A) Ave N Shift Values>> N :: 121.86(3.9) 1.K59 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.L54 1.K73 1.K67 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.224(A) 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 :: 0.007(A) 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 :: 0.053(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P60 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 0.047(A) 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) 1.K61 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.L54 1.K73 1.K67 1.K59 1.E64 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.112(A) 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 :: 0.006(A) 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 :: 0.065(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I62 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.087(A) 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 :: 0.008(A) 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 :: 0.053(A) Ave N Shift Values>> N :: 121.46(4.28) 1.D63 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.106(A) 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 :: 0.010(A) 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 :: 0.061(A) Ave N Shift Values>> N :: 120.65(3.86) 1.E64 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.L54 1.K73 1.K67 1.K59 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.074(A) 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 :: 0.008(A) 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 :: 0.072(A) Ave N Shift Values>> N :: 120.67(3.48) 1.I65 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.A72 1.L58 1.Q49 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.102(A) 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 :: 0.010(A) 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 :: 0.102(A) Ave N Shift Values>> N :: 121.46(4.28) 1.S66 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.253(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 0.011(A) 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 :: 0.031(A) Ave N Shift Values>> N :: 116.28(3.52) 1.K67 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.L54 1.K73 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.256(A) 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 :: 0.002(A) 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 :: 0.057(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R68 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.N56 1.I65 1.A72 1.L58 1.Q49 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.174(A) 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 :: 0.011(A) 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 :: 0.125(A) 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.F69 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.K53 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.124(A) 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 :: 0.009(A) 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 :: 0.067(A) Ave N Shift Values>> N :: 120.45(4.18) 1.F70 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.I62 1.E57 1.D63 1.K51 1.E52 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.088(A) 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 :: 0.009(A) 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 :: 0.115(A) Ave N Shift Values>> N :: 120.45(4.18) 1.P71 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 0.178(A) 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) 1.A72 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.L54 1.K73 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.L58 1.Q49 1.L58 1.Q49 C Shift Assignments>> C :: 0.037(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 0.004(A) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 0.049(A) Ave N Shift Values>> N :: 123.23(3.54) 1.K73 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous HN Overlap>> 1.L54 1.L54 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 1.K67 1.K59 1.E64 1.K61 1.F70 1.I62 1.E57 1.D63 1.K51 1.S66 1.N50 1.F69 1.R68 1.N56 1.I65 1.A72 1.L58 1.Q49 C Shift Assignments>> C :: 0.300(A) 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 :: 0.006(A) 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 :: 0.041(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 47 #Clerical: 0 #Suspicious: 0 #Anomalous: 26 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 47 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 26 Shift Relative Order (SRO) Results: #Consistent: 73 #Suspicious: 0 C Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 26 H Shift Results: #Consistent: 312 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 22 N Shift Results: #Consistent: 46 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 23 Error Summary: 1.I48 C = 0.119(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I48 H = 4.066(S), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7528e-10 1.I48 N = 0.099(A), Expected = 121.46, Std = 4.2800, ChiSquare = 0.0000e+00 1.Q49 C = 0.069(A), Expected = 176.31, Std = 1.9500, ChiSquare = 0.0000e+00 1.Q49 H = 0.006(A), Expected = 8.22, Std = 0.5900, ChiSquare = 4.6547e-44 1.Q49 N = 0.079(A), Expected = 119.89, Std = 3.6000, ChiSquare = 0.0000e+00 1.N50 C = 0.123(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N50 H = 0.008(A), Expected = 8.34, Std = 0.6300, ChiSquare = 6.2606e-40 1.N50 N = 0.041(A), Expected = 118.93, Std = 4.0300, ChiSquare = 0.0000e+00 1.K51 C = 0.196(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K51 H = 0.008(A), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4239e-42 1.K51 N = 0.055(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 1.E52 C = 0.089(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E52 H = 0.056(A), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1159e-44 1.E52 N = 0.152(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 1.K53 C = 0.188(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K53 H = 0.120(A), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0787e-41 1.K53 N = 0.054(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 1.L54 C = 0.078(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L54 H = 0.010(A), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1749e-36 1.L54 N = 0.044(A), Expected = 121.86, Std = 3.9000, ChiSquare = 0.0000e+00 1.P55 C = 0.092(A), Expected = 176.75, Std = 1.5100, ChiSquare = 0.0000e+00 1.N56 C = 0.114(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N56 H = 0.008(A), Expected = 8.34, Std = 0.6300, ChiSquare = 6.2606e-40 1.N56 N = 0.121(A), Expected = 118.93, Std = 4.0300, ChiSquare = 0.0000e+00 1.E57 C = 0.088(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E57 H = 0.009(A), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6196e-45 1.E57 N = 0.044(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 1.L58 C = 0.071(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L58 H = 0.006(A), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0864e-36 1.L58 N = 0.047(A), Expected = 121.86, Std = 3.9000, ChiSquare = 0.0000e+00 1.K59 C = 0.224(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K59 H = 0.007(A), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3691e-42 1.K59 N = 0.053(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 1.P60 C = 0.047(A), Expected = 176.75, Std = 1.5100, ChiSquare = 0.0000e+00 1.K61 C = 0.112(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K61 H = 0.006(A), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3156e-42 1.K61 N = 0.065(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 1.I62 C = 0.087(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I62 H = 0.008(A), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7917e-34 1.I62 N = 0.053(A), Expected = 121.46, Std = 4.2800, ChiSquare = 0.0000e+00 1.D63 C = 0.106(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D63 H = 0.010(A), Expected = 8.31, Std = 0.5800, ChiSquare = 1.8858e-46 1.D63 N = 0.061(A), Expected = 120.65, Std = 3.8600, ChiSquare = 0.0000e+00 1.E64 C = 0.074(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E64 H = 0.008(A), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5336e-45 1.E64 N = 0.072(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 1.I65 C = 0.102(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I65 H = 0.010(A), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9674e-34 1.I65 N = 0.102(A), Expected = 121.46, Std = 4.2800, ChiSquare = 0.0000e+00 1.S66 C = 0.253(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.S66 H = 0.011(A), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2575e-44 1.S66 N = 0.031(A), Expected = 116.28, Std = 3.5200, ChiSquare = 0.0000e+00 1.K67 C = 0.256(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K67 H = 0.002(A), Expected = 8.19, Std = 0.6000, ChiSquare = 2.1133e-42 1.K67 N = 0.057(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 1.R68 C = 0.174(A), Expected = 176.41, Std = 2.0300, ChiSquare = 0.0000e+00 1.R68 H = 0.011(A), Expected = 8.24, Std = 0.6100, ChiSquare = 1.7870e-41 1.R68 N = 0.125(A), Expected = 120.80, Std = 3.6800, ChiSquare = 0.0000e+00 1.F69 C = 0.124(A), Expected = 175.42, Std = 1.9900, ChiSquare = 0.0000e+00 1.F69 H = 0.009(A), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1882e-31 1.F69 N = 0.067(A), Expected = 120.45, Std = 4.1800, ChiSquare = 0.0000e+00 1.F70 C = 0.088(A), Expected = 175.42, Std = 1.9900, ChiSquare = 0.0000e+00 1.F70 H = 0.009(A), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1882e-31 1.F70 N = 0.115(A), Expected = 120.45, Std = 4.1800, ChiSquare = 0.0000e+00 1.P71 C = 0.178(A), Expected = 176.75, Std = 1.5100, ChiSquare = 0.0000e+00 1.A72 C = 0.037(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A72 H = 0.004(A), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7598e-42 1.A72 N = 0.049(A), Expected = 123.23, Std = 3.5400, ChiSquare = 0.0000e+00 1.K73 C = 0.300(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K73 H = 0.006(A), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3156e-42 1.K73 N = 0.041(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00