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.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.52 P 0.4 W 0.02 K 0.01 C Shift Assignments>> C :: 176.699 CA :: 62.977 CB :: 32.685 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.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.16 W 0.13 R 0.13 E 0.13 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 174.550 CA :: 55.596 CB :: 29.303 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 :: 8.662 HA :: 4.725 HB2 :: 3.793 HB3 :: 3.793 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.228 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 Q 0.22 K 0.22 R 0.09 H 0.08 W 0.05 E 0.03 V 0.01 HN Overlap>> 1.Q55 1.Q55 C Shift Assignments>> C :: 176.186 CA :: 55.707 CB :: 33.263 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 :: 8.574 HA :: 4.553 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.512 HG3 :: 2.512 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 :: 121.791 Ave N Shift Values>> N :: 120.09(3.57) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.489 CA :: 58.155 CB :: 64.264 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.248 HA :: 4.722 HB2 :: 3.686 HB3 :: 3.686 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.186 Ave N Shift Values>> N :: 116.28(3.52) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.24 D 0.17 K 0.1 F 0.05 Y 0.03 G 0.02 N 0.01 HN Overlap>> 1.V39 1.V39 C Shift Assignments>> C :: 175.801 CA :: 54.580 CB :: 42.918 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 :: 8.784 HA :: 4.730 HB2 :: 1.772 HB3 :: 1.772 HG :: 1.365 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 124.014 Ave N Shift Values>> N :: 121.86(3.9) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.537 CA :: 59.938 CB :: 73.067 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 :: 8.829 HA :: 5.128 HB :: 4.659 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 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 :: 112.330 Ave N Shift Values>> N :: 115.42(4.75) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 W 0.18 V 0.09 E 0.07 K 0.06 R 0.05 H 0.05 P 0.04 Q 0.04 C Shift Assignments>> C :: 178.704 CA :: 61.530 CB :: 29.303 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.617 HA :: 4.653 HB2 :: 2.108 HB3 :: 2.108 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 :: 119.968 Ave N Shift Values>> N :: 120.67(3.48) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.19 L 0.17 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 176.695 CA :: 56.534 CB :: 40.548 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 :: 8.010 HA :: 4.523 HB2 :: 2.712 HB3 :: 2.336 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.556 Ave N Shift Values>> N :: 120.65(3.86) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.31 L 0.12 F 0.11 Y 0.09 C Shift Assignments>> C :: 173.361 CA :: 53.903 CB :: 39.804 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.462 HA :: 4.724 HB2 :: 3.005 HB3 :: 2.715 HD21 :: 6.729 HD22 :: 6.998 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.717 ND2 :: 111.966 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.17 Y 0.14 F 0.13 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 175.253 CA :: 54.398 CB :: 38.607 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 :: 7.467 HA :: 4.726 HB2 :: 3.430 HB3 :: 3.185 HD21 :: 7.084 HD22 :: 7.738 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.343 ND2 :: 111.966 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 E 0.26 M 0.13 Y 0.13 F 0.08 K 0.03 D 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 174.787 CA :: 54.751 CB :: 36.739 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.335 HA :: 4.122 HB2 :: 2.891 HB3 :: 2.891 HD21 :: 6.679 HD22 :: 7.552 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.685 ND2 :: 113.343 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.550 CA :: 60.991 CB :: 72.155 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 :: 7.224 HA :: 4.653 HB :: 4.188 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 108.314 Ave N Shift Values>> N :: 115.42(4.75) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.028 CA :: 61.039 CB :: 70.842 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 :: 8.096 HA :: 5.437 HB :: 3.789 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 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 :: 115.253 Ave N Shift Values>> N :: 115.42(4.75) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.24 Y 0.18 R 0.1 L 0.1 I 0.07 D 0.02 C Shift Assignments>> C :: 173.937 CA :: 59.228 CB :: 42.005 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.664 HA :: 4.833 HB :: 1.964 HG12 :: 1.330 HG13 :: 1.330 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 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 :: 120.707 Ave N Shift Values>> N :: 121.46(4.28) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.023 CA :: 61.246 CB :: 70.962 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 :: 8.384 HA :: 5.371 HB :: 3.886 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 117.819 Ave N Shift Values>> N :: 115.42(4.75) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.21 F 0.2 Y 0.14 L 0.12 I 0.04 D 0.02 G 0.01 C Shift Assignments>> C :: 173.038 CA :: 59.131 CB :: 42.520 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.792 HA :: 4.588 HB :: 1.168 HG12 :: 0.701 HG13 :: 0.701 HG21 :: 0.630 HG22 :: 0.630 HG23 :: 0.630 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.076 Ave N Shift Values>> N :: 121.46(4.28) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 178.586 CA :: 50.502 CB :: 19.893 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.820 HA :: 4.808 HB1 :: 1.341 HB2 :: 1.341 HB3 :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.522 Ave N Shift Values>> N :: 123.23(3.54) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 R 0.14 K 0.13 E 0.12 H 0.11 V 0.11 M 0.1 Q 0.05 I 0.01 C Shift Assignments>> C :: 177.961 CA :: 59.197 CB :: 31.562 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 :: 8.566 HA :: 3.462 HB2 :: 1.442 HB3 :: 1.442 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 :: 122.156 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 173.365 CA :: 45.208 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.043 HA2 :: 4.229 HA3 :: 3.462 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.810 Ave N Shift Values>> N :: 109.67(3.87) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 M 0.14 W 0.13 E 0.13 K 0.11 Q 0.1 V 0.01 C Shift Assignments>> C :: 174.558 CA :: 56.325 CB :: 31.127 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 :: 8.163 HA :: 4.323 HB2 :: 2.175 HB3 :: 2.175 HG2 :: 2.371 HG3 :: 2.371 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.752 Ave N Shift Values>> N :: 120.67(3.48) 1.N22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.35 L 0.28 N 0.09 R 0.09 K 0.07 G 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.379 CA :: 51.474 CB :: 42.377 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.354 HA :: 6.008(S) HB2 :: 2.565 HB3 :: 2.565 HD21 :: 6.797 HD22 :: 7.479 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 :: 119.699 ND2 :: 112.793 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 E 0.2 M 0.13 Y 0.1 F 0.06 K 0.02 D 0.02 Q 0.01 C Shift Assignments>> C :: 173.785 CA :: 53.963 CB :: 36.715 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 :: 8.797 HA :: 4.621 HB2 :: 1.505 HB3 :: 1.505 HG2 :: 0.773 HG3 :: 0.773 HD2 :: 1.303 HD3 :: 1.303 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.965 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.21 Q 0.21 R 0.09 H 0.09 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 173.933 CA :: 55.213 CB :: 33.154 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 :: 8.583 HA :: 5.143 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 2.108 HG3 :: 2.108 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 :: 123.385 Ave N Shift Values>> N :: 120.67(3.48) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.29 I 0.19 K 0.08 L 0.05 D 0.02 C Shift Assignments>> C :: 174.501 CA :: 59.660 CB :: 40.767 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.236 HA :: 4.245 HG12 :: 1.425 HG13 :: 1.425 HD11 :: -0.067 HD12 :: -0.067 HD13 :: -0.067 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.571 Ave N Shift Values>> N :: 121.46(4.28) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.32 I 0.29 L 0.01 D 0.01 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 175.317 CA :: 59.730 CB :: 39.400 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.553 HA :: 4.768 HB :: 1.908 HG12 :: 1.504 HG13 :: 1.504 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 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 :: 126.562 Ave N Shift Values>> N :: 121.46(4.28) 1.L27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.68 L 0.18 R 0.05 D 0.05 C Shift Assignments>> C :: 176.838 CA :: 52.266 CB :: 44.507 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 :: 8.210 HA :: 4.523 HB2 :: 0.361(S) HB3 :: 0.361 HD11 :: -1.310(S) HD12 :: -1.310(S) HD13 :: -1.310(S) HD21 :: -0.245(S) HD22 :: -0.245(S) HD23 :: -0.245(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.121 Ave N Shift Values>> N :: 121.86(3.9) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 W 0.17 H 0.15 R 0.15 Q 0.14 K 0.1 M 0.06 I 0.02 V 0.01 C Shift Assignments>> C :: 176.074 CA :: 57.444 CB :: 30.021 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 :: 9.449 HA :: 5.045 HB2 :: 3.244 HB3 :: 3.244 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.497 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 170.919 CA :: 46.499 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.636 HA2 :: 5.063 HA3 :: 5.063 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.018 Ave N Shift Values>> N :: 109.67(3.87) 1.N30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.51 V 0.42 I 0.03 W 0.01 C Shift Assignments>> C :: 179.902 CA :: 64.299 CB :: 31.394 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.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.136 CA :: 65.380 CB :: 68.641 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 :: 7.915 HA :: 4.758 HB :: 4.192 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 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 :: 115.126 Ave N Shift Values>> N :: 115.42(4.75) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S36 1.S36 C Shift Assignments>> C :: 175.565 CA :: 62.977 CB :: 71.387 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 :: 7.731 HA :: 4.725 HB :: 4.390 HG21 :: 1.370 HG22 :: 1.370 HG23 :: 1.370 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 :: 109.763 Ave N Shift Values>> N :: 115.42(4.75) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 172.988 CA :: 45.472 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.870 HA2 :: 4.390 HA3 :: 3.658 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.039 Ave N Shift Values>> N :: 109.67(3.87) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 I 0.13 D 0.05 L 0.04 N 0.02 E 0.01 C Shift Assignments>> C :: 174.485 CA :: 57.859 CB :: 38.978 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 :: 7.255 HA :: 4.726 HB2 :: 3.609 HB3 :: 3.609 HD1 :: 6.402 HD2 :: 6.402 HE1 :: 6.202 HE2 :: 6.202 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 :: 120.277 Ave N Shift Values>> N :: 120.52(4.2) 1.S36 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.T33 1.T33 C Shift Assignments>> C :: 173.221 CA :: 56.832 CB :: 65.488 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.793 HA :: 4.325 HB2 :: 3.654 HB3 :: 3.654 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 :: 109.852 Ave N Shift Values>> N :: 116.28(3.52) 1.W37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HA :: 4.938 HD1 :: 7.274 HE1 :: 10.146 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>> NE1 :: 130.154 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 I 0.15 V 0.13 Y 0.1 K 0.09 M 0.08 Q 0.06 F 0.04 W 0.01 C Shift Assignments>> C :: 175.517 CA :: 59.871 CB :: 35.456 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.097 HA :: 4.374 HB :: 1.911 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 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 :: 120.480 Ave N Shift Values>> N :: 121.14(4.54) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 V 0.39 I 0.03 W 0.02 HN Overlap>> 1.L6 1.L6 C Shift Assignments>> C :: 175.732 CA :: 63.627 CB :: 31.434 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 :: 8.735 HA :: 4.604 HB :: 1.831 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.970 Ave N Shift Values>> N :: 121.14(4.54) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.33 R 0.18 D 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 176.349 CA :: 55.883 CB :: 44.515 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 :: 9.354 HA :: 4.773 HB2 :: 2.441 HB3 :: 2.441 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 :: 132.540 Ave N Shift Values>> N :: 120.65(3.86) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.429 CA :: 58.148 CB :: 65.113 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.761 HA :: 4.525 HB2 :: 3.707 HB3 :: 3.707 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 :: 110.402 Ave N Shift Values>> N :: 116.28(3.52) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.588 CA :: 57.573 CB :: 64.324 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.658 HA :: 4.719 HB2 :: 3.821 HB3 :: 3.413 HG :: 4.947 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 :: 117.961 Ave N Shift Values>> N :: 116.28(3.52) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 M 0.17 H 0.16 K 0.13 W 0.12 E 0.12 Q 0.08 V 0.01 C Shift Assignments>> C :: 176.077 CA :: 56.281 CB :: 31.434 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 :: 8.766 HA :: 4.523 HB2 :: 2.041 HB3 :: 2.041 HG2 :: 2.176 HG3 :: 2.176 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 :: 124.925 Ave N Shift Values>> N :: 120.67(3.48) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 172.275 CA :: 45.940 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.732 HA2 :: 4.477 HA3 :: 3.466 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.820 Ave N Shift Values>> N :: 109.67(3.87) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.09 C Shift Assignments>> C :: 177.783 CA :: 53.126 CB :: 47.109 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.973 HA :: 5.420 HB2 :: 1.371 HB3 :: 1.371 HG :: 1.707 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.702 HD22 :: 0.702 HD23 :: 0.702 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 :: 115.295 Ave N Shift Values>> N :: 121.86(3.9) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K80 1.K80 C Shift Assignments>> C :: 173.409 CA :: 56.921 CB :: 65.088 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.786 HA :: 4.865 HB2 :: 3.903 HB3 :: 3.903 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.407 Ave N Shift Values>> N :: 116.28(3.52) 1.N47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.49 L 0.28 R 0.11 D 0.07 F 0.01 C Shift Assignments>> C :: 173.853 CA :: 53.231 CB :: 44.429(S) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.780 HA :: 6.138(S) HB2 :: 2.189 HB3 :: 2.189 HD21 :: 6.918 HD22 :: 6.862 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 :: 117.498 ND2 :: 111.966 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.864 CA :: 61.266 CB :: 72.109 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 :: 8.349 HA :: 4.490 HB :: 4.164 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 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 :: 112.136 Ave N Shift Values>> N :: 115.42(4.75) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 I 0.09 P 0.08 K 0.03 Q 0.02 W 0.02 E 0.02 M 0.01 Y 0.01 C Shift Assignments>> C :: 175.316 CA :: 62.191 CB :: 34.307 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 :: 8.615 HA :: 4.695 HB :: 2.040 HG11 :: 1.033 HG12 :: 1.033 HG13 :: 1.033 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.348 Ave N Shift Values>> N :: 121.14(4.54) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 Q 0.27 K 0.2 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 174.350 CA :: 54.943 CB :: 33.732 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 :: 8.773 HA :: 4.768 HB2 :: 1.928 HB3 :: 1.928 HG2 :: 2.124 HG3 :: 2.124 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.610 Ave N Shift Values>> N :: 120.67(3.48) 1.Y51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.32 Y 0.3 D 0.12 L 0.1 I 0.07 N 0.03 K 0.01 C Shift Assignments>> C :: 174.392 CA :: 57.320 CB :: 39.908 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 :: 8.954 HA :: 4.572 HB2 :: 2.512 HB3 :: 2.512 HD1 :: 6.133 HD2 :: 6.133 HE1 :: 5.864(S) HE2 :: 5.864(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.433 Ave N Shift Values>> N :: 120.52(4.2) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 K 0.12 Q 0.09 M 0.07 W 0.05 I 0.04 P 0.03 R 0.03 E 0.02 H 0.02 Y 0.01 C Shift Assignments>> C :: 175.202 CA :: 60.766 CB :: 33.876 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 :: 8.107 HA :: 3.756 HB :: 1.700 HG11 :: 0.737 HG12 :: 0.737 HG13 :: 0.737 HG21 :: 0.493 HG22 :: 0.493 HG23 :: 0.493 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 :: 130.097 Ave N Shift Values>> N :: 121.14(4.54) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 177.743 CA :: 52.978 CB :: 18.976 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.551 HA :: 3.935 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.939 Ave N Shift Values>> N :: 123.23(3.54) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 F 0.12 K 0.12 Y 0.09 N 0.08 R 0.01 C Shift Assignments>> C :: 177.222 CA :: 54.901 CB :: 41.057 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 :: 8.797 HA :: 4.555 HB2 :: 2.566 HB3 :: 2.566 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.564 Ave N Shift Values>> N :: 120.65(3.86) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 K 0.17 H 0.16 W 0.14 E 0.13 R 0.12 M 0.04 L 0.02 I 0.01 HN Overlap>> 1.M4 1.M4 C Shift Assignments>> C :: 175.531 CA :: 55.949 CB :: 29.089 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.571 HA :: 4.180 HB2 :: 1.879 HB3 :: 1.879 HG2 :: 2.287 HG3 :: 2.287 HE21 :: 6.735 HE22 :: 7.332 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 :: 121.847 NE2 :: 111.966 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.18 Q 0.14 W 0.13 M 0.12 E 0.12 K 0.07 C Shift Assignments>> C :: 173.378 CA :: 54.813 CB :: 30.564 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 :: 8.351 HA :: 4.751 HB2 :: 3.170 HB3 :: 3.071 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.130 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 175.531 CA :: 50.738 CB :: 17.787 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.552 HA :: 4.555 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.813 Ave N Shift Values>> N :: 123.23(3.54) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 V 0.43 I 0.02 W 0.01 C Shift Assignments>> C :: 177.831 CA :: 64.178 CB :: 31.737 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.408 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.073 CA :: 45.539 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.700 HA2 :: 4.082 HA3 :: 3.756 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.527 Ave N Shift Values>> N :: 109.67(3.87) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 Y 0.31 F 0.25 E 0.03 C Shift Assignments>> C :: 176.036 CA :: 59.938 CB :: 38.380 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 :: 7.640 HA :: 4.311 HB :: 1.928 HG12 :: 1.276 HG13 :: 1.276 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 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 :: 120.337 Ave N Shift Values>> N :: 121.46(4.28) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.995 CA :: 58.479 CB :: 64.152 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.474 HA :: 4.392 HB2 :: 3.786 HB3 :: 3.786 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 :: 120.877 Ave N Shift Values>> N :: 116.28(3.52) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.979 CA :: 45.512 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.325 HA2 :: 4.751 HA3 :: 3.919 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.296 Ave N Shift Values>> N :: 109.67(3.87) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.589 CA :: 58.155 CB :: 64.476 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.348 HA :: 4.555 HB2 :: 3.952 HB3 :: 3.821 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 :: 115.198 Ave N Shift Values>> N :: 116.28(3.52) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.17 R 0.05 F 0.01 D 0.01 Y 0.01 HN Overlap>> 1.G65 1.G65 C Shift Assignments>> C :: 174.073 CA :: 44.863 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.538 HA2 :: 4.376 HA3 :: 4.131 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.200 Ave N Shift Values>> N :: 109.67(3.87) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 HN Overlap>> 1.G64 1.G64 C Shift Assignments>> C :: 171.860 CA :: 46.809 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.609 HA2 :: 4.325 HA3 :: 4.073 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.260 Ave N Shift Values>> N :: 109.67(3.87) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 M 0.23 N 0.16 K 0.08 Y 0.07 Q 0.06 F 0.04 H 0.01 C Shift Assignments>> C :: 175.045 CA :: 54.589 CB :: 35.949 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 :: 8.026 HA :: 4.931 HB2 :: 1.505 HB3 :: 1.505 HG2 :: 1.145 HG3 :: 1.145 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.34 I 0.15 D 0.05 L 0.04 N 0.01 E 0.01 C Shift Assignments>> C :: 174.659 CA :: 58.155 CB :: 39.190 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.732 HA :: 4.849 HB2 :: 2.856 HB3 :: 2.467 HD1 :: 7.233 HD2 :: 7.233 HE1 :: 6.875 HE2 :: 6.875 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 :: 123.313 Ave N Shift Values>> N :: 120.52(4.2) 1.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 H 0.17 K 0.17 W 0.12 R 0.11 E 0.09 L 0.05 M 0.04 C Shift Assignments>> C :: 174.226 CA :: 54.265 CB :: 28.817 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 :: 9.583 HA :: 4.849 HB2 :: 3.234 HB3 :: 2.989 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.438 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 Y 0.3 F 0.28 L 0.01 C Shift Assignments>> C :: 174.728 CA :: 60.424 CB :: 39.352 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.937 HA :: 5.143 HB :: 1.749 HG12 :: 1.305 HG13 :: 1.305 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 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 :: 129.611 Ave N Shift Values>> N :: 121.46(4.28) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 K 0.22 Q 0.21 R 0.09 H 0.09 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 177.103 CA :: 55.561 CB :: 33.193 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 :: 8.625 HA :: 4.996 HB2 :: 1.667 HB3 :: 1.667 HG2 :: 0.701 HG3 :: 0.701 HD2 :: 1.167 HD3 :: 1.167 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 :: 128.665 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.21 K 0.21 L 0.12 I 0.07 D 0.05 R 0.03 C Shift Assignments>> C :: 174.803 CA :: 58.482 CB :: 41.349 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.947 HA :: 5.485 HB :: 1.638 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 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 :: 119.127 Ave N Shift Values>> N :: 121.46(4.28) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.995 CA :: 60.742 CB :: 71.608 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 :: 8.228 HA :: 5.143 HB :: 3.789 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.701 Ave N Shift Values>> N :: 115.42(4.75) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 P 0.07 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 173.751 CA :: 47.677 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.366 HA2 :: 4.360 HA3 :: 3.381 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.814 Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.276 CA :: 62.805 CB :: 69.825 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.045 HA :: 4.432 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 119.953 Ave N Shift Values>> N :: 115.42(4.75) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.17 R 0.16 H 0.15 W 0.09 E 0.06 Q 0.05 C Shift Assignments>> C :: 174.317 CA :: 54.305 CB :: 32.161 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.458 HA :: 4.654 HB2 :: 2.306 HB3 :: 2.306 HG2 :: 1.941 HG3 :: 1.941 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.779 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.357 CA :: 63.835 CB :: 69.554 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 :: 8.479 HA :: 4.665 HB :: 3.886 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 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 :: 118.843 Ave N Shift Values>> N :: 115.42(4.75) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.31 G 0.19 D 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.828 CA :: 43.840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.117 HA2 :: 4.555 HA3 :: 3.740 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.977 Ave N Shift Values>> N :: 109.67(3.87) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 W 0.16 H 0.16 Q 0.15 R 0.14 K 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 175.847 CA :: 57.136 CB :: 29.858 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 :: 8.592 HA :: 4.604 HB2 :: 2.206 HB3 :: 2.206 HG2 :: 1.961 HG3 :: 1.961 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.555 Ave N Shift Values>> N :: 120.67(3.48) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.3 R 0.24 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.244 CA :: 44.145 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.175 HA2 :: 4.458 HA3 :: 3.821 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.209 Ave N Shift Values>> N :: 109.67(3.87) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 M 0.21 K 0.13 Q 0.12 Y 0.06 F 0.03 I 0.02 N 0.01 H 0.01 V 0.01 R 0.01 HN Overlap>> 1.S46 1.S46 C Shift Assignments>> C :: 173.622 CA :: 56.605 CB :: 35.453 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 :: 8.846 HA :: 5.110 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 0.715 HG3 :: 0.715 HD2 :: 1.103 HD3 :: 1.103 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.405 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.24 Y 0.18 R 0.1 L 0.1 I 0.06 D 0.03 HN Overlap>> 1.N92 1.N92 C Shift Assignments>> C :: 171.685 CA :: 59.144 CB :: 42.016 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.824 HA :: 5.112 HB :: 1.836 HG12 :: 1.228 HG13 :: 1.228 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.252 Ave N Shift Values>> N :: 121.46(4.28) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 I 0.13 K 0.07 E 0.06 Q 0.05 M 0.04 Y 0.03 P 0.02 W 0.02 F 0.01 R 0.01 H 0.01 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> C :: 175.784 CA :: 61.336 CB :: 34.634 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 :: 8.525 HA :: 5.034 HB :: 2.004 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 126.562 Ave N Shift Values>> N :: 121.14(4.54) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.14 C Shift Assignments>> C :: 175.213 CA :: 54.026 CB :: 46.265 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.992 HA :: 5.622 HB2 :: 1.827 HB3 :: 1.827 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 HD21 :: 0.677 HD22 :: 0.677 HD23 :: 0.677 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.215 Ave N Shift Values>> N :: 121.86(3.9) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 I 0.25 Y 0.13 V 0.12 F 0.07 M 0.05 K 0.05 Q 0.02 C Shift Assignments>> C :: 173.044 CA :: 60.322 CB :: 35.843 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.379 HA :: 5.094 HB :: 1.553 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 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 :: 120.897 Ave N Shift Values>> N :: 121.14(4.54) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 M 0.24 K 0.11 Q 0.1 Y 0.06 N 0.06 F 0.03 H 0.01 I 0.01 R 0.01 C Shift Assignments>> C :: 173.688 CA :: 55.472 CB :: 35.664 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 :: 8.295 HA :: 4.311 HB2 :: 2.109 HB3 :: 2.109 HD1 :: 6.941 HD2 :: 6.941 HE1 :: 6.671 HE2 :: 6.671 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 :: 131.593 Ave N Shift Values>> N :: 120.52(4.2) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 N 0.26 M 0.19 Y 0.08 K 0.05 F 0.05 Q 0.03 D 0.01 C Shift Assignments>> C :: 175.066 CA :: 54.233 CB :: 36.241 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.076 HA :: 4.653 HB2 :: 1.236 HB3 :: 1.236 HG2 :: 0.766 HG3 :: 0.766 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.330 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.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 Q 0.15 H 0.15 P 0.13 K 0.1 W 0.1 R 0.07 E 0.04 M 0.03 C Shift Assignments>> C :: 176.443 CA :: 52.256 CB :: 28.141 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.367 HA :: 4.728 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 1.304 HG3 :: 1.304 HD2 :: 2.579 HD3 :: 2.579 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.642 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.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.51 V 0.43 I 0.02 W 0.01 C Shift Assignments>> C :: 177.831 CA :: 64.178 CB :: 31.737 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.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 K 0.17 W 0.13 H 0.13 R 0.13 E 0.12 L 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 175.266 CA :: 56.647 CB :: 28.345 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 :: 6.635 HA :: 4.568 HB2 :: 3.261 HB3 :: 3.261 HD1 :: 7.113 HE1 :: 10.298 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 :: 110.714 NE1 :: 130.846 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.04 C Shift Assignments>> C :: 172.637 CA :: 50.288 CB :: 18.794 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.352 HA :: 4.592 HB1 :: 0.767 HB2 :: 0.767 HB3 :: 0.767 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.037 Ave N Shift Values>> N :: 123.23(3.54) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.48 P 0.47 W 0.01 C Shift Assignments>> C :: 175.702 CA :: 63.697 CB :: 32.365 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.154 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.29 R 0.13 K 0.09 N 0.05 F 0.04 Y 0.02 G 0.02 HN Overlap>> 1.I81 1.I81 C Shift Assignments>> C :: 174.902 CA :: 52.866 CB :: 42.512 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.815 HA :: 4.760 HB2 :: 2.816 HB3 :: 2.523 HD21 :: 6.663 HD22 :: 7.455 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 :: 122.156 ND2 :: 113.894 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.4 I 0.01 C Shift Assignments>> C :: 178.428 CA :: 54.600 CB :: 18.520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.763 HA :: 4.795 HB1 :: 1.031 HB2 :: 1.031 HB3 :: 1.031 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.425 Ave N Shift Values>> N :: 123.23(3.54) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.16 Y 0.07 F 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 175.266 CA :: 52.901 CB :: 38.603 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.660 HA :: 4.727 HB2 :: 2.839 HB3 :: 2.708 HD21 :: 6.859 HD22 :: 7.534 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 :: 114.445 ND2 :: 112.793 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 F 0.16 K 0.13 Y 0.13 N 0.05 I 0.01 R 0.01 C Shift Assignments>> C :: 176.563 CA :: 55.750 CB :: 41.006 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.601 HA :: 4.555 HB2 :: 2.336 HB3 :: 2.336 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 :: 122.214 Ave N Shift Values>> N :: 120.65(3.86) 1.R96 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.16 H 0.15 W 0.14 M 0.14 K 0.13 E 0.13 Q 0.08 V 0.02 C Shift Assignments>> C :: 174.885 CA :: 57.320 CB :: 31.394 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.864 HA :: 4.213 HB2 :: 1.839 HB3 :: 1.839 HD2 :: 2.911 HD3 :: 2.911 HE :: 7.855 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 :: 124.099 NE :: 111.966(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.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.189 CA :: 60.512 CB :: 72.878 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 :: 8.217 HA :: 5.532 HB :: 4.093 HG21 :: 1.845 HG22 :: 1.845 HG23 :: 1.845 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.852 Ave N Shift Values>> N :: 115.42(4.75) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.22 K 0.19 F 0.13 Y 0.08 D 0.06 G 0.01 I 0.01 C Shift Assignments>> C :: 173.360 CA :: 57.397 CB :: 42.707 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.787 HA :: 4.856 HB2 :: 2.668 HB3 :: 2.668 HD2 :: 6.739 HE2 :: 6.940 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 :: 126.869 Ave N Shift Values>> N :: 120.45(4.18) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.444 CA :: 61.455 CB :: 71.122 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 :: 8.087 HA :: 5.094 HB :: 3.789 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.857 Ave N Shift Values>> N :: 115.42(4.75) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.11 C Shift Assignments>> C :: 175.483 CA :: 53.645 CB :: 46.809 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 :: 8.573 HA :: 4.735 HB2 :: 1.618 HB3 :: 1.618 HG :: 1.162 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 126.308 Ave N Shift Values>> N :: 121.86(3.9) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.21 R 0.14 H 0.12 Q 0.1 W 0.09 E 0.07 V 0.02 C Shift Assignments>> C :: 175.271 CA :: 56.370 CB :: 32.424 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 :: 8.267 HA :: 4.572 HG2 :: 1.308 HG3 :: 1.308 HD2 :: 1.912 HD3 :: 1.912 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.445 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.2 K 0.15 E 0.15 Q 0.14 M 0.12 I 0.07 Y 0.04 W 0.02 R 0.02 H 0.02 F 0.01 C Shift Assignments>> C :: 174.544 CA :: 59.733 CB :: 34.690 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 :: 8.044 HA :: 4.751 HB :: 1.635 HG11 :: 0.574 HG12 :: 0.574 HG13 :: 0.574 HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 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 :: 121.750 Ave N Shift Values>> N :: 121.14(4.54) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.19 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 173.769 CA :: 52.689 CB :: 38.866 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.239 HA :: 4.980 HB2 :: 2.712 HB3 :: 2.712 HD21 :: 6.879 HD22 :: 7.640 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 :: 126.835 ND2 :: 114.170 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 P 0.19 W 0.12 K 0.06 R 0.06 E 0.04 H 0.04 M 0.03 I 0.02 Q 0.01 C Shift Assignments>> C :: 176.844 CA :: 61.278 CB :: 31.832 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 :: 8.762 HA :: 4.719 HB :: 2.513 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.820 Ave N Shift Values>> N :: 121.14(4.54) 1.Q105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> W 0.11 E 0.11 F 0.09 Y 0.09 K 0.09 R 0.08 H 0.08 Q 0.07 S 0.06 M 0.06 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 180.169 CA :: 57.503 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.985 HA :: 4.311 HB2 :: 1.878 HB3 :: 1.878 HG2 :: 2.162 HG3 :: 2.162 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 :: 133.514(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 105 #Suspicious: 0 C Shift Results: #Consistent: 293 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 588 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.N22 HA = 6.008(S), Expected = 4.67, Std = 0.3600, ChiSquare = 2.0187e-04 1.L27 HB2 = 0.361(S), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3922e-04 1.L27 HD11 = -1.310(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.8789e-13 1.L27 HD12 = -1.310(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.8789e-13 1.L27 HD13 = -1.310(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.8789e-13 1.L27 HD21 = -0.245(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7361e-04 1.L27 HD22 = -0.245(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7361e-04 1.L27 HD23 = -0.245(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7361e-04 1.N47 CB = 44.429(S), Expected = 38.69, Std = 1.6900, ChiSquare = 6.8414e-04 1.N47 HA = 6.138(S), Expected = 4.67, Std = 0.3600, ChiSquare = 4.5468e-05 1.Y51 HE1 = 5.864(S), Expected = 6.70, Std = 0.2300, ChiSquare = 2.7822e-04 1.Y51 HE2 = 5.864(S), Expected = 6.71, Std = 0.2300, ChiSquare = 2.3483e-04 1.R96 NE = 111.966(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.5744e-59 1.Q105 N = 133.514(S), Expected = 119.89, Std = 3.6000, ChiSquare = 1.5405e-04