Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.028 CA :: 58.777 CB :: 63.463 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.489 HB2 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.03 HN Overlap>> 1.G130 1.G130 C Shift Assignments>> C :: 174.254 CA :: 45.378 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.285 HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.747 Ave N Shift Values>> N :: 109.91(4.29) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.656 CA :: 61.863 CB :: 69.955 CG2 :: 21.610 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.029 HA :: 4.325 HB :: 4.164 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.277 Ave N Shift Values>> N :: 115.7(5.05) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.366 CA :: 61.353 CB :: 38.587 CG1 :: 27.391 CG2 :: 17.422 CD1 :: 12.837 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.254 HA :: 4.103 HB :: 1.818 HG12 :: 1.440 HG13 :: 1.155 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.587 Ave N Shift Values>> N :: 121.6(4.72) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.07 I 0.05 Q 0.03 HN Overlap>> 1.E128 1.E128 C Shift Assignments>> C :: 176.199 CA :: 56.767 CB :: 30.157 CG :: 36.430 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.505 HA :: 4.194 HB2 :: 1.965 HB3 :: 1.899 HG2 :: 2.257 HG3 :: 2.234 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.414 Ave N Shift Values>> N :: 120.68(3.68) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 177.792 CA :: 52.622 CB :: 19.131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.292 HA :: 4.260 HB1 :: 1.348 HB2 :: 1.348 HB3 :: 1.348 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.589 Ave N Shift Values>> N :: 123.23(3.7) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 176.707 CA :: 56.291 CB :: 30.785 CG :: 27.035 CD :: 43.414 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.310 HA :: 4.346 HB2 :: 1.842 HB3 :: 1.759 HG2 :: 1.608 HG3 :: 1.608 HD2 :: 3.165 HD3 :: 3.165 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.350 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.407 CA :: 61.951 CB :: 69.924 CG2 :: 21.761 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.179 HA :: 4.281 HB :: 4.185 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.200 Ave N Shift Values>> N :: 115.7(5.05) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> C :: 177.476 CA :: 52.643 CB :: 19.247 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.329 HA :: 4.296 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.376 Ave N Shift Values>> N :: 123.23(3.7) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.21 E 0.14 M 0.11 R 0.02 C Shift Assignments>> C :: 175.882 CA :: 55.851 CB :: 29.751 CG :: 34.032 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.292 HA :: 4.346 HB2 :: 2.106 HB3 :: 1.934 HG2 :: 2.351 HG3 :: 2.351 HE21 :: 7.469 HE22 :: 6.859 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.282 NE2 :: 112.546 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.229 CA :: 57.614 CB :: 64.040 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.382 HA :: 4.606 HB2 :: 3.813 HB3 :: 3.813 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.030 Ave N Shift Values>> N :: 116.3(3.95) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> CA :: 59.953 CB :: 68.611 CG2 :: 21.777 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.012 HA :: 4.486 HB :: 4.044 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.737 Ave N Shift Values>> N :: 115.7(5.05) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.525 CA :: 63.467 CB :: 31.996 CG :: 27.271 CD :: 50.606 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.541 HB2 :: 2.346 HB3 :: 1.829 HG2 :: 1.808 HG3 :: 1.808 HD2 :: 3.904 HD3 :: 3.461 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.299 CA :: 57.790 CB :: 64.198 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.671 HA :: 4.484 HB2 :: 3.955 HB3 :: 3.709 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.351 Ave N Shift Values>> N :: 116.3(3.95) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.07 C 0.05 L 0.02 C Shift Assignments>> C :: 174.423 CA :: 49.856 CB :: 20.649 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.824 HA :: 4.867 HB1 :: 1.431 HB2 :: 1.431 HB3 :: 1.431 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.616 Ave N Shift Values>> N :: 123.23(3.7) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 64.689 CB :: 30.514 CG :: 27.737 CD :: 50.468 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HB2 :: 2.264 HB3 :: 1.635 HG2 :: 1.934 HG3 :: 1.978 HD2 :: 3.687 HD3 :: 3.418 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 174.196 CA :: 62.504 CB :: 31.980 CG :: 28.807 CD :: 50.359 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.653 HB2 :: 4.351(A) HB3 :: 1.498 HG2 :: 1.615 HG3 :: 1.615 HD2 :: 3.666 HD3 :: 4.653 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.39 E 0.11 Q 0.07 C Shift Assignments>> C :: 173.981 CA :: 54.175 CB :: 32.763 CG :: 34.875 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.379 HA :: 4.494 HB2 :: 2.169 HB3 :: 1.803 HG2 :: 2.387 HG3 :: 2.387 HE21 :: 7.673 HE22 :: 7.295 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.794 NE2 :: 113.933 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.32 R 0.29 M 0.02 G 0.01 C Shift Assignments>> C :: 174.657 CA :: 56.220 CB :: 30.950 CG :: 25.552 CD :: 29.339 CE :: 42.282 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.712 HA :: 3.798 HB2 :: 1.894 HB3 :: 1.684 HG2 :: 1.362 HG3 :: 1.362 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.959 HE3 :: 2.959 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.539 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.870 CA :: 63.449 CB :: 31.238 CG1 :: 21.761 CG2 :: 21.761 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.937 HA :: 4.761 HB :: 1.964 HG11 :: 0.930 HG12 :: 0.930 HG13 :: 0.930 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.791 Ave N Shift Values>> N :: 121.02(4.96) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.32 A 0.28 I 0.01 C Shift Assignments>> C :: 174.578 CA :: 54.246 CB :: 36.271 CG :: 31.650 CE :: 16.876 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.022 HA :: 4.800 HB2 :: 1.964 HB3 :: 1.881 HG2 :: 2.461 HG3 :: 2.461 HE1 :: 1.996 HE2 :: 1.996 HE3 :: 1.996 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.964 Ave N Shift Values>> N :: 120.1(3.88) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 M 0.14 R 0.13 K 0.13 W 0.11 H 0.11 E 0.1 Q 0.06 V 0.02 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 173.118 CA :: 56.909 CB :: 31.685 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.795 HA :: 5.554 HB2 :: 2.554 HB3 :: 2.426 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.691 Ave N Shift Values>> N :: 119.95(4.79) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 174.775 CA :: 59.896 CB :: 35.777 CG1 :: 20.854 CG2 :: 20.854 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.684 HA :: 4.431 HB :: 1.954 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.963 Ave N Shift Values>> N :: 121.02(4.96) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.452 CA :: 59.112 CB :: 62.938 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.100 HA :: 4.404 HB2 :: 3.965 HB3 :: 3.965 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.276 Ave N Shift Values>> N :: 116.3(3.95) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.29 A 0.2 C Shift Assignments>> C :: 175.393 CA :: 53.365 CB :: 32.433 CG :: 32.000 CE :: 16.199 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.426 HA :: 4.826 HB2 :: 2.159 HB3 :: 1.414 HG2 :: 2.354 HG3 :: 2.269 HE1 :: 1.907 HE2 :: 1.907 HE3 :: 1.907 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.772 Ave N Shift Values>> N :: 120.1(3.88) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.316 CA :: 45.095 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.170 HA2 :: 4.359 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.868 Ave N Shift Values>> N :: 109.91(4.29) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 T 0.23 C Shift Assignments>> C :: 174.548 CA :: 59.924 CB :: 66.109 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.690 HA :: 4.599 HB2 :: 3.836 HB3 :: 3.637 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.729 Ave N Shift Values>> N :: 116.3(3.95) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.873 CA :: 60.205 CB :: 71.003 CG2 :: 21.266 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.672 HA :: 4.502 HB :: 4.588 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 103.471 Ave N Shift Values>> N :: 115.7(5.05) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 172.993 CA :: 59.953 CB :: 71.778 CG2 :: 20.721 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.700 HA :: 5.505 HB :: 3.689 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.934 Ave N Shift Values>> N :: 115.7(5.05) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.23 C Shift Assignments>> C :: 172.732 CA :: 59.821 CB :: 36.727 CG1 :: 21.774 CG2 :: 22.254 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.329 HA :: 4.446 HB :: 1.516 HG11 :: 0.634 HG12 :: 0.634 HG13 :: 0.634 HG21 :: 0.488 HG22 :: 0.488 HG23 :: 0.488 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.022 Ave N Shift Values>> N :: 121.02(4.96) 1.R36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 R 0.32 K 0.27 G 0.04 C Shift Assignments>> C :: 175.138 CA :: 55.481 CB :: 32.142 CG :: 25.767 CD :: 43.008 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.080 HA :: 5.060 HB2 :: 1.686 HB3 :: 1.686 HG2 :: 1.421 HG3 :: 1.367 HD2 :: 3.012 HD3 :: 2.880 HE :: 9.310(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.089 NE :: 86.476 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.040 CA :: 60.100 CB :: 34.329 CG1 :: 22.471 CG2 :: 21.142 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.510 HA :: 5.092 HB :: 2.346 HG11 :: 1.104 HG12 :: 1.104 HG13 :: 1.104 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 133.064 Ave N Shift Values>> N :: 121.02(4.96) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.15 C Shift Assignments>> C :: 172.529 CA :: 57.508 CB :: 66.430 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.474 HA :: 5.099 HB2 :: 3.816 HB3 :: 3.619 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.559 Ave N Shift Values>> N :: 116.3(3.95) 1.W39 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.53 W 0.46 C Shift Assignments>> CA :: 57.002 CB :: 31.344 CD1 :: 124.034 CE3 :: 121.150 CZ2 :: 113.888 CZ3 :: 119.971 CH2 :: 122.919 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.777 HA :: 5.044 HB2 :: 3.369 HB3 :: 2.923 HD1 :: 6.149 HE1 :: 6.776(A) HE3 :: 7.595 HZ2 :: 6.472 HZ3 :: 6.916 HH2 :: 6.635 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.125 NE1 :: 125.284 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HZ3 : 0.9924) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 HN Overlap>> 1.C27 1.C27 C Shift Assignments>> CA :: 58.914 CB :: 34.239 CG1 :: 21.707 CG2 :: 20.716 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.722 HA :: 4.750 HB :: 1.953 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.634 Ave N Shift Values>> N :: 121.02(4.96) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> CA :: 62.469 CB :: 30.631 CG :: 27.928 CD :: 51.486 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.867 HB2 :: 2.616 HB3 :: 1.834 HG2 :: 2.145 HG3 :: 2.145 HD2 :: 3.997 HD3 :: 3.651 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 A 0.14 N 0.09 D 0.03 C 0.03 L 0.01 M 0.01 H 0.01 C Shift Assignments>> CD :: 50.461 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HD2 :: 3.761 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.8 C 0.11 M 0.02 C Shift Assignments>> CB :: 33.340 CD :: 49.433 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 A 0.44 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.806 CB :: 18.727 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.904 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 C 0.13 K 0.11 N 0.11 Y 0.1 R 0.02 C Shift Assignments>> CA :: 54.661 CB :: 40.840 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.436 HA :: 4.542 HB2 :: 2.768 HB3 :: 2.691 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.190 Ave N Shift Values>> N :: 120.73(4.2) 1.S46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.36 R 0.33 G 0.26 K 0.02 C Shift Assignments>> CA :: 61.268 CB :: 30.610 CG :: 27.603 CD :: 43.967 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 5.037 HB2 :: 2.018 HB3 :: 1.944 HG2 :: 1.857 HG3 :: 1.396 HD2 :: 3.303 HD3 :: 3.186 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.22 D 0.11 Y 0.1 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 174.226 CA :: 53.629 CB :: 37.952 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.208 HA :: 4.424 HB2 :: 2.774 HB3 :: 2.703 HD21 :: 7.643 HD22 :: 6.852 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.494 ND2 :: 113.784 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.22 R 0.18 C 0.1 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.760 CA :: 44.443 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.700 HA2 :: 4.099 HA3 :: 3.905 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.565 Ave N Shift Values>> N :: 109.91(4.29) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.427 CA :: 62.233 CB :: 32.969 CG1 :: 21.266 CG2 :: 21.081 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.138 HA :: 3.983 HB :: 1.911 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.898 Ave N Shift Values>> N :: 121.02(4.96) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 176.753 CA :: 60.664 CB :: 37.089 CG1 :: 28.292 CG2 :: 17.075 CD1 :: 12.200 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.391 HA :: 4.286 HB :: 1.865 HG12 :: 1.525 HG13 :: 1.198 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.010 Ave N Shift Values>> N :: 121.6(4.72) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 175.773 CA :: 61.881 CB :: 68.845 CG2 :: 23.162 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.861 HA :: 4.251 HB :: 4.074 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.640 Ave N Shift Values>> N :: 115.7(5.05) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.33 K 0.11 Q 0.1 R 0.03 E 0.01 C Shift Assignments>> C :: 172.331 CA :: 54.828 CB :: 31.280 CG :: 31.961 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.297 HA :: 4.813 HB2 :: 2.070 HB3 :: 1.686 HG2 :: 1.920 HG3 :: 1.505 HE21 :: 6.591 HE22 :: 6.340 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.415 NE2 :: 110.042 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.39 G 0.03 C Shift Assignments>> C :: 174.424 CA :: 57.314 CB :: 42.452 CD1 :: 133.512 CD2 :: 133.512 CE1 :: 117.662 CE2 :: 117.662 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.024 HA :: 5.254 HB2 :: 2.353 HB3 :: 2.163 HD1 :: 6.827 HD2 :: 6.827 HE1 :: 6.800 HE2 :: 6.800 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.834 Ave N Shift Values>> N :: 120.79(4.69) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.322 CA :: 57.543 CB :: 65.642 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.666 HA :: 5.098 HB2 :: 3.685 HB3 :: 3.581 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.608 Ave N Shift Values>> N :: 116.3(3.95) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 C Shift Assignments>> C :: 173.467 CA :: 60.293 CB :: 35.276 CG1 :: 23.244 CG2 :: 21.979 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.598 HA :: 4.722 HB :: 1.678 HG11 :: 1.041 HG12 :: 1.041 HG13 :: 1.041 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 121.02(4.96) 1.A57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 L 0.25 A 0.18 G 0.12 P 0.05 M 0.04 K 0.02 C Shift Assignments>> C :: 176.208 CA :: 49.204 CB :: 23.303 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.429 HA :: 5.950(S) HB1 :: 1.292 HB2 :: 1.292 HB3 :: 1.292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.726 Ave N Shift Values>> N :: 123.23(3.7) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 173.727 CA :: 55.797 CB :: 41.662 CD1 :: 133.868 CD2 :: 133.868 CE1 :: 117.978 CE2 :: 117.978 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.155 HA :: 6.445 HB2 :: 3.048 HB3 :: 2.848 HD1 :: 6.829 HD2 :: 6.829 HE1 :: 6.547 HE2 :: 6.547 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.719 Ave N Shift Values>> N :: 120.79(4.69) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.09 E 0.03 C Shift Assignments>> C :: 174.734 CA :: 54.916 CB :: 35.128 CG :: 35.979 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.020 HA :: 4.969 HB2 :: 2.219 HB3 :: 1.993 HG2 :: 2.261 HG3 :: 2.096 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.594 Ave N Shift Values>> N :: 120.68(3.68) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> C :: 177.582 CA :: 51.982 CB :: 18.463 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.830 HA :: 4.086 HB1 :: 1.160 HB2 :: 1.160 HB3 :: 1.160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.146 Ave N Shift Values>> N :: 123.23(3.7) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.270 CA :: 64.155 CB :: 32.639 CG1 :: 21.900 CG2 :: 21.039 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.214 HA :: 3.684 HB :: 1.712 HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.896 Ave N Shift Values>> N :: 121.02(4.96) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.28 L 0.12 C 0.12 Y 0.05 K 0.04 C Shift Assignments>> C :: 176.186 CA :: 52.413 CB :: 40.610 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.812 HA :: 4.644 HB2 :: 2.866 HB3 :: 2.432 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.490 Ave N Shift Values>> N :: 120.73(4.2) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.650 CA :: 44.390 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.845 HA2 :: 4.359 HA3 :: 3.569 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.575 Ave N Shift Values>> N :: 109.91(4.29) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.05 M 0.05 Q 0.02 C Shift Assignments>> C :: 177.652 CA :: 58.442 CB :: 30.126 CG :: 36.587 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.338 HA :: 4.125 HB2 :: 2.033 HB3 :: 1.955 HG2 :: 2.314 HG3 :: 2.220 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.992 Ave N Shift Values>> N :: 120.68(3.68) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.21 L 0.15 C 0.12 K 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 176.710 CA :: 52.994 CB :: 40.813 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.689 HA :: 4.787 HB2 :: 3.035 HB3 :: 2.678 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.438 Ave N Shift Values>> N :: 120.73(4.2) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.32 K 0.08 G 0.07 L 0.04 C Shift Assignments>> C :: 176.694 CA :: 55.092 CB :: 29.772 CG :: 27.156 CD :: 43.271 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.624 HA :: 4.592 HB2 :: 2.166 HB3 :: 1.596 HG2 :: 1.555 HG3 :: 1.341 HD2 :: 3.074 HD3 :: 3.074 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.795 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.19 R 0.13 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.338 CA :: 44.637 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.445 HA2 :: 3.944 HA3 :: 3.606 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.038 Ave N Shift Values>> N :: 109.91(4.29) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.32 K 0.21 G 0.04 C Shift Assignments>> C :: 176.109 CA :: 55.639 CB :: 30.703 CG :: 28.024 CD :: 42.955 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.204 HA :: 4.644 HB2 :: 1.725 HB3 :: 1.518 HG2 :: 1.233 HG3 :: 1.233 HD2 :: 2.719 HD3 :: 2.719 HE :: 6.548 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.766 NE :: 83.652 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.39 W 0.3 C 0.29 C Shift Assignments>> C :: 173.112 CA :: 54.529 CB :: 31.119 CD2 :: 120.455 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.937 HA :: 4.631 HB2 :: 2.615 HB3 :: 1.542(S) HD2 :: 6.964 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.148 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.831 CA :: 61.281 CB :: 35.277 CG1 :: 21.184 CG2 :: 21.184 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.404 HA :: 4.865 HB :: 1.815 HG11 :: 0.765 HG12 :: 0.765 HG13 :: 0.765 HG21 :: 0.765 HG22 :: 0.765 HG23 :: 0.765 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.608 Ave N Shift Values>> N :: 121.02(4.96) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 173.845 CA :: 62.145 CB :: 32.927 CG1 :: 20.513 CG2 :: 21.048 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.651 HA :: 4.177 HB :: 1.946 HG11 :: 1.128 HG12 :: 1.128 HG13 :: 1.128 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.614 Ave N Shift Values>> N :: 121.02(4.96) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.19 G 0.17 C 0.14 R 0.13 N 0.03 K 0.03 Y 0.01 C Shift Assignments>> C :: 176.302 CA :: 51.671 CB :: 43.147 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.167 HA :: 4.839 HB2 :: 2.521 HB3 :: 2.395 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.911 Ave N Shift Values>> N :: 120.73(4.2) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.12 L 0.05 C Shift Assignments>> C :: 174.877 CA :: 46.329 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.374 HA2 :: 3.723 HA3 :: 3.464 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.865 Ave N Shift Values>> N :: 109.91(4.29) 1.I74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.211 CA :: 61.652 CB :: 37.669 CG1 :: 26.107 CG2 :: 16.837 CD1 :: 14.282 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.409 HA :: 3.421 HB :: 1.553 HG12 :: 0.516 HG13 :: -1.005(S) HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 HD11 :: -0.065 HD12 :: -0.065 HD13 :: -0.065 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.105 Ave N Shift Values>> N :: 121.6(4.72) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.389 CA :: 59.570 CB :: 64.009 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.510 HA :: 4.463 HB2 :: 4.307 HB3 :: 4.038 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.210 Ave N Shift Values>> N :: 116.3(3.95) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.32 K 0.21 L 0.07 G 0.06 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 175.646 CA :: 57.967 CB :: 29.508 CG :: 25.634 CD :: 43.271 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.273 HA :: 4.315 HB2 :: 1.982 HB3 :: 1.578 HG2 :: 1.812 HG3 :: 1.538 HD2 :: 3.297 HD3 :: 3.297 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.273 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.12 I 0.07 Q 0.06 M 0.04 C Shift Assignments>> C :: 177.088 CA :: 56.856 CB :: 29.311 CG :: 36.183 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.595 HA :: 4.363 HB2 :: 2.075 HB3 :: 1.777 HG2 :: 2.199 HG3 :: 2.101 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.303 Ave N Shift Values>> N :: 120.68(3.68) 1.H78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 W 0.34 H 0.29 HN Overlap>> 1.V94 1.V94 C Shift Assignments>> C :: 174.760 CA :: 57.772 CB :: 31.715 CD2 :: 120.986 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.196 HA :: 4.564 HB2 :: 3.574 HB3 :: 3.370 HD2 :: 7.587 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.909 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.109 CA :: 56.115 CB :: 64.215 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.501 HA :: 3.279 HB2 :: 3.787 HB3 :: 3.471 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.284 Ave N Shift Values>> N :: 116.3(3.95) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 173.025 CA :: 56.768 CB :: 66.033 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.010 HA :: 4.891 HB2 :: 3.495 HB3 :: 3.495 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.581 Ave N Shift Values>> N :: 116.3(3.95) 1.W81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.4 C Shift Assignments>> C :: 173.270 CA :: 57.631 CB :: 34.170 CD1 :: 125.876 CE3 :: 121.623 CZ2 :: 114.698 CZ3 :: 121.607 CH2 :: 124.534 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.470 HA :: 4.567 HB2 :: 3.526 HB3 :: 2.893 HD1 :: 6.644 HE1 :: 10.094 HE3 :: 6.622 HZ2 :: 7.477 HZ3 :: 7.748 HH2 :: 7.189 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.558 NE1 :: 128.794 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.29 C 0.14 L 0.07 Y 0.06 C Shift Assignments>> C :: 174.795 CA :: 52.805 CB :: 39.658 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.134 HA :: 5.295 HB2 :: 2.094 HB3 :: 1.832 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.697 Ave N Shift Values>> N :: 120.73(4.2) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.2 A 0.08 G 0.02 R 0.01 C Shift Assignments>> C :: 175.306 CA :: 53.584 CB :: 42.219 CG :: 26.234 CD1 :: 24.508 CD2 :: 22.718 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.201 HA :: 4.462 HB2 :: 1.590 HB3 :: 0.756 HG :: 1.606 HD11 :: 0.283 HD12 :: 0.283 HD13 :: 0.283 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.249 Ave N Shift Values>> N :: 121.98(4.07) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.2 A 0.01 I 0.01 C Shift Assignments>> C :: 176.618 CA :: 59.113 CB :: 34.122 CG1 :: 21.339 CG2 :: 17.899 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.585 HA :: 4.852 HB :: 2.141 HG11 :: 0.730 HG12 :: 0.730 HG13 :: 0.730 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.687 Ave N Shift Values>> N :: 121.02(4.96) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.340 CA :: 46.294 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.820 HA2 :: 3.812 HA3 :: 3.812 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.894 Ave N Shift Values>> N :: 109.91(4.29) 1.L86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.47 C 0.26 L 0.25 C Shift Assignments>> C :: 175.444 CA :: 53.805 CB :: 40.799 CG :: 26.475 CD1 :: 25.560 CD2 :: 20.543 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.263 HA :: 4.174 HB2 :: 1.363 HB3 :: 0.999 HG :: 0.909 HD11 :: -0.155(S) HD12 :: -0.155(S) HD13 :: -0.155(S) HD21 :: -0.194(S) HD22 :: -0.194(S) HD23 :: -0.194(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.630 Ave N Shift Values>> N :: 121.98(4.07) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.35 M 0.13 I 0.03 K 0.01 HN Overlap>> 1.R76 1.R76 C Shift Assignments>> C :: 176.285 CA :: 55.991 CB :: 31.402 CG :: 37.274 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.378 HA :: 4.307 HB2 :: 2.174 HB3 :: 2.004 HG2 :: 2.461 HG3 :: 2.359 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.306 Ave N Shift Values>> N :: 120.68(3.68) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.2 M 0.04 C Shift Assignments>> C :: 177.687 CA :: 56.380 CB :: 33.422 CG :: 24.975 CD :: 29.916 CE :: 42.076 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.256 HA :: 4.969 HB2 :: 1.741 HB3 :: 1.601 HG2 :: 1.422 HG3 :: 1.290 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 2.855 HE3 :: 2.855 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.459 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.41 H 0.02 C Shift Assignments>> C :: 175.110 CA :: 56.943 CB :: 28.839 CD1 :: 126.464 CE3 :: 121.734 CZ2 :: 114.349 CZ3 :: 121.719 CH2 :: 124.488 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.076 HA :: 4.438 HB2 :: 3.649 HB3 :: 2.724 HD1 :: 7.317 HE1 :: 10.062 HE3 :: 7.130 HZ2 :: 7.379 HZ3 :: 7.735 HH2 :: 7.146 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 130.532 NE1 :: 128.367 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 171.345 CA :: 62.939 CB :: 71.945 CG2 :: 19.865 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.296 HA :: 4.283 HB :: 3.727 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.075 Ave N Shift Values>> N :: 115.7(5.05) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 E 0.19 M 0.09 I 0.03 C Shift Assignments>> C :: 174.179 CA :: 55.251 CB :: 31.898 CG :: 38.326 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.403 HA :: 4.865 HB2 :: 1.832 HB3 :: 1.503 HG2 :: 1.849 HG3 :: 1.849 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.017 Ave N Shift Values>> N :: 120.68(3.68) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.36 G 0.03 C Shift Assignments>> C :: 174.485 CA :: 57.966 CB :: 42.488 CD1 :: 132.627 CD2 :: 132.627 CE1 :: 118.819 CE2 :: 118.819 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.563 HA :: 4.982 HB2 :: 2.638 HB3 :: 2.478 HD1 :: 6.985 HD2 :: 6.985 HE1 :: 6.875 HE2 :: 6.875 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.584 Ave N Shift Values>> N :: 120.79(4.69) 1.R93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.23 G 0.18 K 0.13 C Shift Assignments>> C :: 175.567 CA :: 55.004 CB :: 33.217 CG :: 28.698 CD :: 43.926 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.696 HA :: 4.683 HB2 :: 1.269 HB3 :: 0.711(S) HG2 :: 1.142 HG3 :: 0.767 HD2 :: 3.034 HD3 :: 2.907 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.072 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.44 HN Overlap>> 1.H78 1.H78 C Shift Assignments>> C :: 174.997 CA :: 61.264 CB :: 35.524 CG1 :: 21.886 CG2 :: 20.890 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.297 HA :: 5.082 HB :: 1.694 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.697 HG22 :: 0.697 HG23 :: 0.697 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.896 Ave N Shift Values>> N :: 121.02(4.96) 1.W95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 W 0.15 C Shift Assignments>> C :: 175.041 CA :: 57.613 CB :: 35.524 CD1 :: 129.108 CE3 :: 121.494 CZ2 :: 113.834 CZ3 :: 121.555 CH2 :: 123.984 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.513 HA :: 4.657 HB2 :: 2.983 HB3 :: 2.983 HD1 :: 7.745 HE1 :: 10.181 HE3 :: 6.668 HZ2 :: 7.307 HZ3 :: 7.519 HH2 :: 7.089 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.615 NE1 :: 129.715 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 V 0.48 I 0.02 C Shift Assignments>> C :: 174.109 CA :: 60.911 CB :: 34.695 CG1 :: 22.832 CG2 :: 20.030 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.699 HA :: 4.917 HB :: 1.386 HG11 :: 0.678 HG12 :: 0.678 HG13 :: 0.678 HG21 :: 0.012 HG22 :: 0.012 HG23 :: 0.012 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.627 Ave N Shift Values>> N :: 121.02(4.96) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.35 K 0.05 R 0.02 C Shift Assignments>> C :: 172.756 CA :: 54.457 CB :: 34.677 CG :: 24.304 CD :: 44.240 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.859 HA :: 4.722 HB2 :: 1.690 HB3 :: 1.390 HG2 :: 1.581 HG3 :: 1.084 HD2 :: 2.881 HD3 :: 2.881 HE :: 7.063 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.714 NE :: 81.898 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 L 0.16 C 0.14 M 0.09 C Shift Assignments>> C :: 175.562 CA :: 50.156 CB :: 22.038 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.767 HA :: 4.788 HB1 :: 1.283 HB2 :: 1.283 HB3 :: 1.283 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.523 Ave N Shift Values>> N :: 123.23(3.7) 1.H99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 H 0.3 W 0.27 C Shift Assignments>> C :: 175.609 CA :: 54.812 CB :: 32.722 CE1 :: 137.651 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.302 HA :: 4.960 HB2 :: 2.886 HB3 :: 2.675 HE1 :: 7.536 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.930 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.27 C Shift Assignments>> C :: 175.931 CA :: 60.118 CB :: 72.611 CG2 :: 21.184 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.987 HA :: 5.150 HB :: 4.618 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.165 Ave N Shift Values>> N :: 115.7(5.05) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.21 D 0.17 L 0.14 K 0.08 N 0.05 I 0.05 R 0.01 C Shift Assignments>> C :: 177.225 CA :: 56.732 CB :: 40.204 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.387 HA :: 4.333 HB2 :: 2.648 HB3 :: 2.648 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.322 Ave N Shift Values>> N :: 120.73(4.2) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 176.175 CA :: 63.397 CB :: 32.268 CG1 :: 21.446 CG2 :: 21.678 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.579 HA :: 3.962 HB :: 1.802 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.993 Ave N Shift Values>> N :: 121.02(4.96) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.09 R 0.06 C Shift Assignments>> C :: 170.611 CA :: 45.040 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.272 HA2 :: 4.428 HA3 :: 3.978 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.959 Ave N Shift Values>> N :: 109.91(4.29) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 62.420 CB :: 30.841 CG :: 27.167 CD :: 49.764 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.146 HB2 :: 2.288 HB3 :: 1.863 HG2 :: 1.984 HG3 :: 1.984 HD2 :: 3.555 HD3 :: 3.555 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 R 0.26 L 0.26 C 0.1 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.124 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.626 HA2 :: 4.346 HA3 :: 3.735 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.972 Ave N Shift Values>> N :: 109.91(4.29) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.163 CA :: 62.413 CB :: 32.201 CG :: 26.953 CD :: 49.479 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.374 HB2 :: 2.218 HB3 :: 1.682 HG2 :: 1.829 HG3 :: 1.489 HD2 :: 3.450 HD3 :: 3.176 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.29 M 0.14 I 0.02 C Shift Assignments>> C :: 177.313 CA :: 55.727 CB :: 31.839 CG :: 37.499 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.558 HA :: 4.512 HB2 :: 2.062 HB3 :: 1.870 HG2 :: 2.066 HG3 :: 1.983 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.511 Ave N Shift Values>> N :: 120.68(3.68) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.751 CA :: 58.513 CB :: 64.905 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.907 HA :: 4.181 HB2 :: 4.366 HB3 :: 3.911 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.790 Ave N Shift Values>> N :: 116.3(3.95) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S132 1.S132 C Shift Assignments>> C :: 174.132 CA :: 58.512 CB :: 62.198 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.549 HA :: 4.176 HB2 :: 4.017 HB3 :: 3.914 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.448 Ave N Shift Values>> N :: 116.3(3.95) 1.P110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.816 CA :: 62.621 CB :: 30.828 CG :: 27.080 CD :: 50.425 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.053 HB2 :: 0.973 HB3 :: 0.646(S) HG2 :: 2.037 HG3 :: 1.980 HD2 :: 3.907 HD3 :: 3.464 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.48 C Shift Assignments>> C :: 174.023 CA :: 60.805 CB :: 34.988 CG1 :: 22.909 CG2 :: 21.761 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.290 HA :: 4.177 HB :: 1.792 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.075 Ave N Shift Values>> N :: 121.02(4.96) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.21 C 0.19 R 0.07 C Shift Assignments>> C :: 177.073 CA :: 53.447 CB :: 43.992 CG :: 27.607 CD1 :: 25.176 CD2 :: 24.379 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.107 HA :: 5.487 HB2 :: 1.526 HB3 :: 1.363 HG :: 1.456 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.142 Ave N Shift Values>> N :: 121.98(4.07) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 C Shift Assignments>> C :: 170.095 CA :: 59.694 CB :: 34.618 CG1 :: 21.266 CG2 :: 19.114 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.963 HA :: 4.447 HB :: 1.793 HG11 :: 0.734 HG12 :: 0.734 HG13 :: 0.734 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.211 Ave N Shift Values>> N :: 121.02(4.96) 1.R114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 K 0.3 R 0.27 G 0.03 C Shift Assignments>> C :: 176.979 CA :: 53.717 CB :: 33.217 CG :: 27.215 CD :: 42.535 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.349 HA :: 5.449 HB2 :: 1.573 HB3 :: 1.412 HG2 :: 1.812 HG3 :: 0.939 HD2 :: 2.451 HD3 :: 2.101(S) HE :: 6.426 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.874 NE :: 82.684 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.39 C Shift Assignments>> C :: 174.686 CA :: 61.307 CB :: 69.387 CG2 :: 24.150 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.613 HA :: 4.423 HB :: 4.618 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.779 Ave N Shift Values>> N :: 115.7(5.05) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.24 K 0.17 C 0.11 R 0.08 Y 0.06 N 0.05 C Shift Assignments>> C :: 175.878 CA :: 54.599 CB :: 41.690 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.341 HA :: 4.601 HB2 :: 2.839 HB3 :: 2.147 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.889 Ave N Shift Values>> N :: 120.73(4.2) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 M 0.17 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 176.284 CA :: 56.238 CB :: 30.946 CG :: 35.914 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.228 HA :: 4.089 HB2 :: 1.637 HB3 :: 1.460 HG2 :: 1.691 HG3 :: 1.691 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.554 Ave N Shift Values>> N :: 120.68(3.68) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.25 K 0.16 C 0.1 R 0.09 N 0.06 Y 0.05 C Shift Assignments>> C :: 175.625 CA :: 54.147 CB :: 41.864 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.596 HA :: 4.580 HB2 :: 2.662 HB3 :: 2.456 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.875 Ave N Shift Values>> N :: 120.73(4.2) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 174.351 CA :: 59.655 CB :: 32.804 CG1 :: 21.083 CG2 :: 20.132 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.059 HA :: 4.347 HB :: 2.003 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.676 Ave N Shift Values>> N :: 121.02(4.96) 1.P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.198 CB :: 32.008 CG :: 27.469 CD :: 50.906 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.390 HB2 :: 2.272 HB3 :: 1.878 HG2 :: 1.988 HG3 :: 1.864 HD2 :: 3.765 HD3 :: 3.615 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.S132 1.S132 C Shift Assignments>> CA :: 59.189 CB :: 64.788 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.419 HA :: 4.406 HB2 :: 3.845 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.462 Ave N Shift Values>> N :: 116.3(3.95) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.15 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.575 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.165 HA2 :: 4.056 HA3 :: 4.056 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.687 Ave N Shift Values>> N :: 109.91(4.29) 1.P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> CA :: 61.420 CB :: 32.011 CG :: 26.376 CD :: 49.709 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.660 HB2 :: 1.584 HB3 :: 1.584 HG2 :: 1.934 HG3 :: 1.884 HD2 :: 4.153 HD3 :: 3.580 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.834 CA :: 62.868 CB :: 32.062 CG :: 27.447 CD :: 50.389 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.372 HB2 :: 2.257 HB3 :: 1.868 HG2 :: 1.984 HG3 :: 1.923 HD2 :: 3.762 HD3 :: 3.593 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.12 G 0.06 C Shift Assignments>> C :: 176.152 CA :: 55.904 CB :: 30.938 CG :: 27.035 CD :: 43.271 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.389 HA :: 4.241 HB2 :: 1.707 HB3 :: 1.707 HG2 :: 1.603 HG3 :: 1.603 HD2 :: 3.139 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.856 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.228 CA :: 56.203 CB :: 33.175 CG :: 24.810 CD :: 29.425 CE :: 42.200 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.396 HA :: 4.294 HB2 :: 1.725 HG2 :: 1.362 HE2 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.910 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.122 CA :: 62.303 CB :: 32.846 CG1 :: 20.936 CG2 :: 20.936 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.308 HA :: 4.056 HB :: 2.011 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.154 Ave N Shift Values>> N :: 121.02(4.96) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.12 K 0.08 Q 0.06 I 0.03 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 176.309 CA :: 56.345 CB :: 30.373 CG :: 36.018 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.587 HA :: 4.365 HB2 :: 2.062 HB3 :: 1.920 HG2 :: 2.231 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.485 Ave N Shift Values>> N :: 120.68(3.68) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.517 CA :: 58.231 CB :: 63.874 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.396 HA :: 4.463 HB2 :: 3.879 HB3 :: 3.879 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.339 Ave N Shift Values>> N :: 116.3(3.95) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.19 R 0.13 C 0.1 D 0.01 Y 0.01 HN Overlap>> 1.G7 1.G7 C Shift Assignments>> C :: 171.777 CA :: 44.637 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.289 HA2 :: 4.434 HA3 :: 4.117 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.818 Ave N Shift Values>> N :: 109.91(4.29) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.215 CB :: 32.047 CG :: 27.282 CD :: 49.782 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.450 HB2 :: 2.268 HB3 :: 2.268 HG2 :: 1.989 HG3 :: 1.989 HD2 :: 3.590 HD3 :: 3.590 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S109 1.S121 1.S109 1.S121 H Shift Assignments>> H :: 8.522 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.445 Ave N Shift Values>> N :: 116.3(3.95) 1.S133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 124 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 125 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 133 #Suspicious: 1 C Shift Results: #Consistent: 511 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 788 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 2 N Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P22 HB2 = 4.351(A), Expected = 2.05, Std = 0.3900, ChiSquare = 3.6350e-09 1.R36 HE = 9.310(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.2976e-04 1.W39 HE1 = 6.776(A), Expected = 10.13, Std = 0.5300, ChiSquare = 2.4787e-10 1.W39 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.A57 HA = 5.950(S), Expected = 4.26, Std = 0.4200, ChiSquare = 5.7264e-05 1.H69 HB3 = 1.542(S), Expected = 3.11, Std = 0.4500, ChiSquare = 4.9316e-04 1.I74 HG13 = -1.005(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.9942e-08 1.L86 HD11 = -0.155(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.1271e-04 1.L86 HD12 = -0.155(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.1271e-04 1.L86 HD13 = -0.155(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.1271e-04 1.L86 HD21 = -0.194(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.5647e-04 1.L86 HD22 = -0.194(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.5647e-04 1.L86 HD23 = -0.194(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.5647e-04 1.R93 HB3 = 0.711(S), Expected = 1.78, Std = 0.2800, ChiSquare = 1.3462e-04 1.P110 HB3 = 0.646(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.1822e-04 1.R114 HD3 = 2.101(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.9072e-06