M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.47 K 0.33 M 0.18 C Shift Assignments>> C :: 173.692 CA :: 55.623 CB :: 29.683 CG :: 29.651 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>> HA :: 4.623 HB2 :: 3.172 HB3 :: 3.140 HG2 :: 3.058 HG3 :: 3.058 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) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.531 CA :: 57.618 CB :: 63.722 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.305 HA :: 4.374 HB2 :: 4.174 HB3 :: 4.126 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 :: 125.428 Ave N Shift Values>> N :: 116.3(3.95) G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.11 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.569 CA :: 44.791 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.562 HA2 :: 4.177 HA3 :: 4.041 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.376 Ave N Shift Values>> N :: 109.91(4.29) W4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.96 H 0.03 C Shift Assignments>> C :: 172.058 CA :: 58.598 CB :: 31.197 CD1 :: 127.032 CE3 :: 121.288 CZ2 :: 114.547 CZ3 :: 123.431 CH2 :: 124.197 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 :: 8.433 HA :: 5.131 HB2 :: 3.523 HB3 :: 2.935 HD1 :: 6.984 HE1 :: 11.471 HE3 :: 7.420 HZ2 :: 7.391 HZ3 :: 7.203 HH2 :: 7.045 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 :: 118.424 NE1 :: 131.454 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 F 0.18 G 0.08 C Shift Assignments>> C :: 177.776 CA :: 57.430 CB :: 42.591 CD1 :: 133.762 CD2 :: 133.762 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 :: 8.976 HA :: 5.668 HB2 :: 2.936 HB3 :: 2.739 HD1 :: 6.843 HD2 :: 6.843 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 :: 117.084 Ave N Shift Values>> N :: 120.79(4.69) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.4 I 0.03 C Shift Assignments>> C :: 175.835 CA :: 55.140 CB :: 32.427 CG :: 37.381 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 :: 9.246 HA :: 5.667 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.571 HG3 :: 2.521 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 :: 118.379 Ave N Shift Values>> N :: 120.68(3.68) L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.24 R 0.04 C Shift Assignments>> C :: 173.921 CA :: 54.355 CB :: 45.701 CG :: 27.991 CD1 :: 25.664 CD2 :: 26.346 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 :: 9.133 HA :: 5.348 HB2 :: 2.001 HB3 :: 1.339 HG :: 1.741 HD1 :: 0.994 HD2 :: 0.929 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 :: 130.343 Ave N Shift Values>> N :: 121.98(4.07) S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> C :: 178.467 CA :: 57.518 CB :: 66.539 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.582 HA :: 4.751 HB2 :: 3.951 HB3 :: 3.802 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 :: 119.274 Ave N Shift Values>> N :: 116.3(3.95) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.1 M 0.05 A 0.01 HN Overlap>> A54 C Shift Assignments>> C :: 176.989 CA :: 54.468 CB :: 34.387 CG :: 24.183 CD :: 29.065 CE :: 41.455 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 :: 8.442 HA :: 4.919 HB2 :: 1.544 HB3 :: 1.339 HG2 :: 0.987 HG3 :: 0.851 HD2 :: 1.379 HD3 :: 1.379 HE2 :: 2.728 HE3 :: 2.536 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 :: 117.737 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S10 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 :: 175.525 CA :: 56.859 CB :: 65.268 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.810 HA :: 4.567 HB2 :: 3.993 HB3 :: 3.612 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 :: 119.397 Ave N Shift Values>> N :: 116.3(3.95) S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.239 CA :: 59.957 CB :: 62.961 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.640 HA :: 4.230 HB2 :: 3.922 HB3 :: 3.924 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 :: 116.469 Ave N Shift Values>> N :: 116.3(3.95) N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 Y 0.1 D 0.08 E 0.08 F 0.06 M 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 174.288 CA :: 53.296 CB :: 37.415 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 :: 8.171 HA :: 4.665 HB2 :: 2.861 HB3 :: 2.787 HD21 :: 7.573 HD22 :: 6.687 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 :: 117.611 ND2 :: 112.338 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.22 D 0.21 N 0.14 L 0.09 I 0.03 E 0.01 K 0.01 C Shift Assignments>> C :: 174.434 CA :: 55.788 CB :: 39.448 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 :: 8.087 HA :: 4.170 HB2 :: 2.929 HB3 :: 2.775 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 :: 114.476 Ave N Shift Values>> N :: 120.73(4.2) Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 E 0.29 Q 0.24 K 0.12 C Shift Assignments>> C :: 174.634 CA :: 55.039 CB :: 30.898 CG :: 34.877 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 :: 7.146 HA :: 4.759 HB2 :: 2.137 HB3 :: 1.867 HG2 :: 2.131 HG3 :: 2.245 HE21 :: 7.193 HE22 :: 6.658 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 :: 115.279 NE2 :: 111.052 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.82 G 0.17 C Shift Assignments>> C :: 174.303 CA :: 57.627 CB :: 43.293 CD1 :: 131.371 CD2 :: 131.371 CE1 :: 131.347 CE2 :: 131.347 CZ :: 130.505 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.366 HA :: 5.250 HB2 :: 2.844 HB3 :: 2.803 HD1 :: 6.992 HD2 :: 6.992 HE1 :: 7.394 HE2 :: 7.394 HZ :: 7.467 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.139 Ave N Shift Values>> N :: 120.69(4.18) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.15 M 0.13 A 0.09 G 0.03 C Shift Assignments>> C :: 173.329 CA :: 54.970 CB :: 36.308 CG :: 23.169 CD :: 29.470 CE :: 42.024 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 :: 9.077 HA :: 4.962 HB2 :: 1.747 HB3 :: 1.747 HG2 :: 1.200 HG3 :: 1.128 HD2 :: 1.410 HD3 :: 1.410 HE2 :: 2.685 HE3 :: 2.683 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 :: 117.950 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F17 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 Y 0.1 C Shift Assignments>> C :: 173.569 CA :: 55.562 CB :: 44.147 CD1 :: 134.608(M) CD2 :: 134.608 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.654 HA :: 6.301 HB2 :: 2.939 HB3 :: 3.287 HD1 :: 6.960 HD2 :: 6.960 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.163 Ave N Shift Values>> N :: 120.69(4.18) V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 A 0.13 I 0.08 C Shift Assignments>> C :: 174.426 CA :: 58.329 CB :: 35.322 CG1 :: 22.036 CG2 :: 19.220 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 :: 8.537 HA :: 5.376 HB :: 2.262 HG1 :: 1.098 HG2 :: 0.933 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 :: 109.750 Ave N Shift Values>> N :: 121.02(4.96) L19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.52 G 0.44 R 0.02 C Shift Assignments>> C :: 174.421 CA :: 53.403 CB :: 45.016 CG :: 27.047 CD1 :: 19.335 CD2 :: 27.068 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 :: 8.992 HA :: 4.512 HB2 :: 1.789 HB3 :: 1.161 HG :: 0.881 HD1 :: -0.139(S) HD2 :: 0.718 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 :: 124.077 Ave N Shift Values>> N :: 121.98(4.07) K20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.7 K 0.21 G 0.05 M 0.02 C Shift Assignments>> C :: 175.841 CA :: 53.981 CB :: 34.576 CG :: 27.007 CD :: 30.116 CE :: 42.676 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 :: 8.903 HA :: 4.883 HB2 :: 0.576(S) HB3 :: -0.117(S) HG2 :: 0.669 HG3 :: 0.759 HD2 :: 1.326 HD3 :: 1.326 HE2 :: 2.501 HE3 :: 2.803 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 :: 126.698 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.551 CA :: 50.571 CB :: 19.632 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.913 HA :: 4.019 HB :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.385 Ave N Shift Values>> N :: 123.23(3.7) G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 174.439 CA :: 47.393 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.362 HA2 :: 3.971 HA3 :: 3.901 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.836 Ave N Shift Values>> N :: 109.91(4.29) N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.08 Y 0.07 E 0.04 F 0.04 M 0.03 C Shift Assignments>> C :: 176.792 CA :: 52.375 CB :: 37.340 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 :: 7.733 HA :: 4.732 HB2 :: 3.251 HB3 :: 2.809 HD21 :: 7.505 HD22 :: 6.884 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 :: 115.952 ND2 :: 110.196 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 173.491 CA :: 45.446 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.541 HA2 :: 4.389 HA3 :: 3.455 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.787 Ave N Shift Values>> N :: 109.91(4.29) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.22 K 0.12 Q 0.11 I 0.03 C Shift Assignments>> C :: 176.116 CA :: 56.096 CB :: 30.556 CG :: 35.881 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 :: 7.410 HA :: 4.090 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 2.029 HG3 :: 2.151 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 :: 121.139 Ave N Shift Values>> N :: 120.68(3.68) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.687 CA :: 64.506 CB :: 31.574 CG1 :: 21.339 CG2 :: 22.860 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 :: 8.652 HA :: 3.770 HB :: 1.891 HG1 :: 0.782 HG2 :: 0.940 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 :: 125.271 Ave N Shift Values>> N :: 121.02(4.96) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.529 CA :: 60.463 CB :: 39.930 CG1 :: 25.113 CG2 :: 17.723 CD1 :: 13.737 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 :: 8.863 HA :: 4.959 HB :: 2.054 HG2 :: 0.882 HG12 :: 0.871 HG13 :: 0.956 HD1 :: 0.643 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 :: 119.792 Ave N Shift Values>> N :: 121.6(4.72) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.17 A 0.05 M 0.01 C Shift Assignments>> C :: 174.662 CA :: 55.852 CB :: 48.168 CG :: 27.882 CD1 :: 24.656 CD2 :: 27.860 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 :: 7.602 HA :: 4.472 HB2 :: 1.831 HB3 :: 1.563 HG :: 0.993 HD1 :: 0.961 HD2 :: 1.535 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 :: 122.302 Ave N Shift Values>> N :: 121.98(4.07) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.933 CA :: 62.120 CB :: 70.510 CG2 :: 20.932 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 :: 8.722 HA :: 4.852 HB :: 3.895 HG2 :: 1.284 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 :: 121.187 Ave N Shift Values>> N :: 115.7(5.05) S30 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.561 CA :: 58.725 CB :: 65.064 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.415 HA :: 4.359 HB2 :: 4.017 HB3 :: 1.500(M) 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 :: 123.133 Ave N Shift Values>> N :: 116.3(3.95) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.2 K 0.13 Q 0.1 I 0.02 C Shift Assignments>> C :: 174.826 CA :: 54.781 CB :: 30.255 CG :: 36.021 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 :: 8.373 HA :: 4.221 HB2 :: 1.966 HB3 :: 1.562 HG2 :: 2.139 HG3 :: 1.982 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 :: 117.114 Ave N Shift Values>> N :: 120.68(3.68) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.12 G 0.06 A 0.01 C Shift Assignments>> C :: 177.778 CA :: 54.783 CB :: 42.905 CG :: 27.055 CD1 :: 25.246 CD2 :: 23.746 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 :: 7.977 HA :: 4.815 HB2 :: 1.603 HB3 :: 1.288 HG :: 1.591 HD1 :: 0.820 HD2 :: 0.753 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 :: 118.120 Ave N Shift Values>> N :: 121.98(4.07) Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 G 0.04 C Shift Assignments>> C :: 176.745 CA :: 57.386 CB :: 42.262 CD1 :: 133.395 CD2 :: 133.395 CE1 :: 118.727 CE2 :: 118.727 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 :: 9.515 HA :: 4.893 HB2 :: 3.353 HB3 :: 2.768 HD1 :: 7.218 HD2 :: 7.218 HE1 :: 6.851 HE2 :: 6.851 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 :: 120.150 Ave N Shift Values>> N :: 120.79(4.69) T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.846 CA :: 63.558 CB :: 69.309 CG2 :: 22.090 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 :: 8.987 HA :: 4.511 HB :: 4.477 HG2 :: 1.375 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 :: 113.828 Ave N Shift Values>> N :: 115.7(5.05) G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.25 R 0.22 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.336 CA :: 44.365 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.915 HA2 :: 4.428 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.069 Ave N Shift Values>> N :: 109.91(4.29) K36 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.55 R 0.41 G 0.01 M 0.01 C Shift Assignments>> C :: 178.269 CA :: 60.067 CB :: 32.131 CG :: 26.202 CD :: 29.384 CE :: 42.063 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 :: 8.090 HA :: 2.720(S) HB2 :: 1.392 HB3 :: 0.911(S) HG2 :: 1.105 HG3 :: 0.782 HD2 :: 1.515 HD3 :: 1.515 HE2 :: 2.776 HE3 :: 2.697 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 :: 124.186 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.350 CA :: 61.769 CB :: 61.319 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.500 HA :: 3.770 HB2 :: 3.909 HB3 :: 3.909 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 :: 113.108 Ave N Shift Values>> N :: 116.3(3.95) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.806 CA :: 46.942 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.683 HA2 :: 3.917 HA3 :: 3.737 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.423 Ave N Shift Values>> N :: 109.91(4.29) A39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.52 M 0.45 I 0.01 C Shift Assignments>> C :: 178.755 CA :: 54.425 CB :: 18.542 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.029 HA :: 2.753(S) HB :: 1.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.082 Ave N Shift Values>> N :: 123.23(3.7) M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 M 0.3 Q 0.24 R 0.09 E 0.05 C Shift Assignments>> C :: 179.402 CA :: 57.361 CB :: 30.431 CG :: 32.364 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 :: 8.127 HA :: 3.917 HB2 :: 2.021 HB3 :: 1.915 HG2 :: 2.532 HG3 :: 2.371 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 :: 116.139 Ave N Shift Values>> N :: 120.1(3.88) N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.18 N 0.17 E 0.14 D 0.08 I 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 178.229 CA :: 55.965 CB :: 37.968 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 :: 7.950 HA :: 4.423 HB2 :: 2.860 HB3 :: 2.774 HD21 :: 7.643 HD22 :: 6.864 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 :: 119.677 ND2 :: 112.148 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 P 0.08 A 0.05 L 0.03 N 0.02 C Shift Assignments>> C :: 175.453 CA :: 47.651 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.041 HA2 :: 4.042 HA3 :: 3.934 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.011 Ave N Shift Values>> N :: 109.91(4.29) I43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.587 CA :: 66.086 CB :: 36.608 CG1 :: 27.529 CG2 :: 13.606 CD1 :: 13.729 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 :: 7.664 HA :: 2.441 HB :: 1.323 HG2 :: -0.555(S) HG12 :: 0.464 HG13 :: -0.995(S) HD1 :: 0.344 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 :: 124.927 Ave N Shift Values>> N :: 121.6(4.72) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.24 K 0.16 Q 0.07 M 0.02 C Shift Assignments>> C :: 179.457 CA :: 58.728 CB :: 28.767 CG :: 36.073 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 :: 7.278 HA :: 4.362 HB2 :: 2.104 HB3 :: 2.024 HG2 :: 2.323 HG3 :: 2.153 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 :: 119.080 Ave N Shift Values>> N :: 120.68(3.68) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.549 CA :: 61.825 CB :: 63.242 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.087 HA :: 4.243 HB2 :: 4.101 HB3 :: 4.101 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 :: 115.668 Ave N Shift Values>> N :: 116.3(3.95) V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.340 CA :: 67.387 CB :: 30.685 CG1 :: 23.753 CG2 :: 23.495 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 :: 8.543 HA :: 3.620 HB :: 2.583 HG1 :: 1.059 HG2 :: 1.225 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 :: 126.168 Ave N Shift Values>> N :: 121.02(4.96) Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.3 E 0.12 R 0.11 I 0.06 P 0.03 M 0.02 C Shift Assignments>> C :: 178.780 CA :: 59.790 CB :: 28.340 CG :: 33.676 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 :: 9.131 HA :: 3.907 HB2 :: 2.614 HB3 :: 1.799 HG2 :: 2.785 HG3 :: 2.491 HE21 :: 7.709 HE22 :: 6.818 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 :: 124.715 NE2 :: 110.947 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.392 CA :: 65.526 CB :: 69.689 CG2 :: 21.404 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 :: 8.121 HA :: 3.947 HB :: 4.191 HG2 :: 1.211 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 :: 110.516 Ave N Shift Values>> N :: 115.7(5.05) N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 K 0.18 D 0.17 Y 0.16 R 0.03 N 0.03 I 0.02 HN Overlap>> R55 C Shift Assignments>> C :: 174.951 CA :: 56.471 CB :: 40.927 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 :: 8.075 HA :: 4.832 HB2 :: 2.570 HB3 :: 2.570 HD21 :: 8.054 HD22 :: 7.669 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 :: 116.673 ND2 :: 118.072 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.610 CB :: 63.679 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 :: 4.128 HB2 :: 4.045 HB3 :: 4.045 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 :: 113.744 Ave N Shift Values>> N :: 116.3(3.95) P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.766 CA :: 65.320 CB :: 32.220 CG :: 27.831 CD :: 51.562 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 :: 4.702 HB2 :: 2.517 HB3 :: 1.821 HG2 :: 2.039 HG3 :: 1.952 HD2 :: 3.260 HD3 :: 4.051 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) I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.783 CA :: 60.730 CB :: 38.131 CG1 :: 27.047 CG2 :: 17.947 CD1 :: 13.349 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 :: 7.640 HA :: 4.090 HB :: 2.269 HG2 :: 0.967 HG12 :: 1.510 HG13 :: 1.098 HD1 :: 0.967 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 :: 118.761 Ave N Shift Values>> N :: 121.6(4.72) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.4 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 171.678 CA :: 60.726 CB :: 29.518 CG :: 36.251 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 :: 8.905 HA :: 3.958 HB2 :: 2.038 HB3 :: 2.038 HG2 :: 2.230 HG3 :: 2.230 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 :: 130.020 Ave N Shift Values>> N :: 120.68(3.68) A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.34 HN Overlap>> K9 C Shift Assignments>> C :: 178.878 CA :: 53.752 CB :: 18.814 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.445 HA :: 4.360 HB :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.762 Ave N Shift Values>> N :: 123.23(3.7) R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 L 0.28 K 0.23 HN Overlap>> N49 C Shift Assignments>> C :: 174.993 CA :: 55.435 CB :: 28.363 CG :: 28.159 CD :: 41.520 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 :: 8.042 HA :: 4.052 HB2 :: 2.506 HB3 :: 1.959 HG2 :: 2.040 HG3 :: 2.040 HD2 :: 3.019 HD3 :: 2.992 HE :: 7.045 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 :: 116.580 NE :: 85.181 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 I 0.16 D 0.05 L 0.04 E 0.02 K 0.01 N 0.01 C Shift Assignments>> CA :: 58.332 CB :: 39.427 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 :: 7.562 HA :: 4.968 HB2 :: 3.060 HB3 :: 2.308 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 :: 117.924 Ave N Shift Values>> N :: 120.79(4.69) A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.11 L 0.11 HN Overlap>> L109 C Shift Assignments>> C :: 176.259 CA :: 50.493 CB :: 21.533 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.185 HA :: 4.807 HB :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.625 Ave N Shift Values>> N :: 123.23(3.7) K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.39 M 0.01 G 0.01 C Shift Assignments>> C :: 175.285 CA :: 57.803 CB :: 33.304 CG :: 27.022 CD :: 29.963 CE :: 42.081 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 :: 8.764 HA :: 4.205 HB2 :: 1.813 HB3 :: 1.624 HG2 :: 1.499 HG3 :: 0.846 HD2 :: 1.628 HD3 :: 1.628 HE2 :: 2.766 HE3 :: 2.766 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 :: 124.560 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E59 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.83 Q 0.13 E 0.02 C Shift Assignments>> C :: 174.706 CA :: 53.870 CB :: 34.013 CG :: 33.511 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 :: 7.715 HA :: 4.708 HB2 :: 1.552 HB3 :: -0.391(M) HG2 :: 1.916 HG3 :: 1.818 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 :: 122.782 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.764 CA :: 61.793 CB :: 34.691 CG1 :: 21.212 CG2 :: 21.452 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 :: 8.704 HA :: 4.547 HB :: 1.873 HG1 :: 0.944 HG2 :: 0.896 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 :: 118.474 Ave N Shift Values>> N :: 121.02(4.96) A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.15 L 0.05 C Shift Assignments>> C :: 178.363 CA :: 51.578 CB :: 20.801 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.015 HA :: 4.724 HB :: 1.705 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.926 Ave N Shift Values>> N :: 123.23(3.7) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.35 M 0.03 G 0.01 C Shift Assignments>> C :: 176.426 CA :: 58.398 CB :: 31.907 CG :: 24.915 CD :: 29.008 CE :: 42.072 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 :: 8.614 HA :: 4.099 HB2 :: 1.839 HB3 :: 1.839 HG2 :: 1.512 HG3 :: 1.512 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 2.998 HE3 :: 2.998 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 :: 119.773 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 E 0.11 Y 0.09 M 0.08 D 0.05 F 0.04 K 0.02 C Shift Assignments>> C :: 174.703 CA :: 53.022 CB :: 36.810 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 :: 8.028 HA :: 4.526 HB2 :: 3.176 HB3 :: 2.766 HD21 :: 7.508 HD22 :: 6.448 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 :: 114.745 ND2 :: 109.451 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.23 D 0.19 N 0.14 L 0.08 I 0.04 E 0.02 K 0.01 C Shift Assignments>> C :: 175.185 CA :: 55.970 CB :: 39.257 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 :: 8.223 HA :: 4.254 HB2 :: 2.932 HB3 :: 2.836 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 :: 113.279 Ave N Shift Values>> N :: 120.73(4.2) K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.29 M 0.04 G 0.03 C Shift Assignments>> CA :: 53.942 CB :: 32.659 CG :: 25.209 CD :: 29.186 CE :: 42.489 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 :: 7.107 HA :: 4.962 HB2 :: 1.996 HB3 :: 1.869 HG2 :: 1.318 HG3 :: 1.318 HD2 :: 1.528 HD3 :: 1.528 HE2 :: 2.885 HE3 :: 2.853 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 :: 118.912 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.990 CA :: 62.231 CB :: 32.952 CG :: 27.353 CD :: 50.694 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 :: 5.204 HB2 :: 2.285 HB3 :: 1.722 HG2 :: 1.718 HG3 :: 1.718 HD2 :: 3.998 HD3 :: 3.885 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) Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.383 CA :: 56.799 CB :: 40.085 CD1 :: 134.702 CD2 :: 134.702 CE1 :: 117.656 CE2 :: 117.656 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 :: 9.027 HA :: 5.226 HB2 :: 3.334 HB3 :: 3.072 HD1 :: 7.001 HD2 :: 7.001 HE1 :: 6.473 HE2 :: 6.473 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 :: 117.657 Ave N Shift Values>> N :: 120.79(4.69) F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.86 G 0.13 C Shift Assignments>> C :: 173.094 CA :: 56.898 CB :: 42.534 CD1 :: 132.686 CD2 :: 132.686 CE1 :: 132.819 CE2 :: 132.819 CZ :: 129.856 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.744 HA :: 5.589 HB2 :: 3.250 HB3 :: 2.978 HD1 :: 6.998 HD2 :: 6.998 HE1 :: 7.665 HE2 :: 7.665 HZ :: 7.273 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.064 Ave N Shift Values>> N :: 120.69(4.18) N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 G 0.24 R 0.17 D 0.16 K 0.03 N 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.961 CA :: 52.250 CB :: 43.494 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 :: 9.061 HA :: 5.851 HB2 :: 2.883 HB3 :: 2.549 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 :: 114.604 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L70 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 A 0.22 R 0.14 L 0.01 C Shift Assignments>> C :: 174.478 CA :: 53.660 CB :: 45.006 CG :: 26.629 CD1 :: 21.689 CD2 :: 28.960(M) 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 :: 8.809 HA :: 4.656 HB2 :: 1.513 HB3 :: 1.014 HG :: 1.233 HD1 :: -0.071 HD2 :: 0.742 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 :: 122.819 Ave N Shift Values>> N :: 121.98(4.07) K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.32 G 0.02 M 0.01 C Shift Assignments>> C :: 174.154 CA :: 54.812 CB :: 36.167 CG :: 26.187 CD :: 29.535 CE :: 42.293 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 :: 8.748 HA :: 5.219 HB2 :: 1.706 HB3 :: 1.616 HG2 :: 1.209 HG3 :: 1.098 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 2.827 HE3 :: 2.758 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 :: 127.156 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 179.850 CA :: 49.719 CB :: 19.716 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.021 HA :: 4.534 HB :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.897 Ave N Shift Values>> N :: 123.23(3.7) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.32 I 0.05 C Shift Assignments>> CA :: 55.325 CB :: 17.834 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.407 HA :: 3.748 HB :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.627 Ave N Shift Values>> N :: 123.23(3.7) N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 Y 0.07 E 0.06 M 0.06 D 0.05 F 0.03 K 0.01 C Shift Assignments>> C :: 176.030 CA :: 52.252 CB :: 36.916 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>> HA :: 4.310 HB2 :: 3.187 HB3 :: 2.707 HD21 :: 7.463 HD22 :: 6.687 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>> ND2 :: 108.715 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 L 0.2 Q 0.12 K 0.1 I 0.08 H 0.08 W 0.07 E 0.05 C Shift Assignments>> C :: 173.351 CA :: 57.379 CB :: 26.691 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 :: 7.851 HA :: 4.099 HB2 :: 3.739 HB3 :: 3.417 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 :: 109.236 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.32 E 0.13 M 0.1 R 0.07 C Shift Assignments>> C :: 176.119 CA :: 55.569 CB :: 29.308 CG :: 33.686 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 :: 7.752 HA :: 4.310 HB2 :: 1.994 HB3 :: 1.994 HG2 :: 2.279 HG3 :: 2.279 HE21 :: 7.532 HE22 :: 6.897 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 :: 119.730 NE2 :: 112.733 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.652 CA :: 64.060 CB :: 38.574 CG1 :: 30.182 CG2 :: 17.865 CD1 :: 13.303 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 :: 8.770 HA :: 3.934 HB :: 1.758 HG2 :: 0.895 HG12 :: 1.811 HG13 :: 0.792 HD1 :: 0.902 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 :: 124.223 Ave N Shift Values>> N :: 121.6(4.72) I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.662 CA :: 61.147 CB :: 40.111 CG1 :: 25.434 CG2 :: 18.144 CD1 :: 13.767 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 :: 9.158 HA :: 4.745 HB :: 2.087 HG2 :: 0.970 HG12 :: 0.959 HG13 :: 0.855 HD1 :: 0.652 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 :: 120.221 Ave N Shift Values>> N :: 121.6(4.72) G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 172.515 CA :: 46.160 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.724 HA2 :: 4.710 HA3 :: 3.602 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.746 Ave N Shift Values>> N :: 109.91(4.29) T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.433 CA :: 62.776 CB :: 71.764 CG2 :: 20.652 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 :: 8.843 HA :: 5.042 HB :: 3.725 HG2 :: 1.398 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 :: 118.762 Ave N Shift Values>> N :: 115.7(5.05) S81 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 173.484 CA :: 58.329 CB :: 65.661 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.625 HA :: 4.300 HB2 :: 1.428(M) HB3 :: 1.428(M) 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 :: 124.946 Ave N Shift Values>> N :: 116.3(3.95) Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 M 0.17 R 0.08 E 0.07 C Shift Assignments>> C :: 175.334 CA :: 55.153 CB :: 29.675 CG :: 33.107 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 :: 8.673 HA :: 4.151 HB2 :: 1.713 HB3 :: 1.380 HG2 :: 1.918 HG3 :: 1.614 HE21 :: 7.237 HE22 :: 7.237 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 :: 115.528 NE2 :: 111.889 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 Q 0.16 K 0.04 E 0.03 C Shift Assignments>> C :: 176.411 CA :: 54.330 CB :: 32.324 CG :: 32.597 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 :: 8.276 HA :: 4.683 HB2 :: 2.679 HB3 :: 2.194 HG2 :: 1.966 HG3 :: 1.558 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 :: 117.742 Ave N Shift Values>> N :: 120.1(3.88) Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.96 G 0.03 C Shift Assignments>> C :: 174.522 CA :: 58.646 CB :: 42.002 CD1 :: 134.149 CD2 :: 134.149 CE1 :: 118.240 CE2 :: 118.240 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 :: 8.534 HA :: 4.685 HB2 :: 3.254 HB3 :: 2.998 HD1 :: 7.380 HD2 :: 7.380 HE1 :: 6.946 HE2 :: 6.946 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 :: 123.494 Ave N Shift Values>> N :: 120.79(4.69) S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.609 CB :: 64.217 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.952 HA :: 4.691 HB2 :: 4.057 HB3 :: 4.008 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 :: 109.405 Ave N Shift Values>> N :: 116.3(3.95) S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 174.603 CA :: 56.620 CB :: 66.285 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.539 HA :: 4.943 HB2 :: 4.291 HB3 :: 4.026 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 :: 112.149 Ave N Shift Values>> N :: 116.3(3.95) T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.152 CA :: 66.171 CB :: 67.664 CG2 :: 22.523 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 :: 9.218 HA :: 3.679 HB :: 4.257 HG2 :: 1.246 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 :: 117.486 Ave N Shift Values>> N :: 115.7(5.05) A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.04 C Shift Assignments>> C :: 180.410 CA :: 55.301 CB :: 17.944 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.370 HA :: 4.079 HB :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.602 Ave N Shift Values>> N :: 123.23(3.7) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.02 C Shift Assignments>> C :: 179.739 CA :: 54.771 CB :: 18.471 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.796 HA :: 4.055 HB :: 1.580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.395 Ave N Shift Values>> N :: 123.23(3.7) R90 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.61 K 0.36 R 0.01 C Shift Assignments>> C :: 178.895 CA :: 58.425 CB :: 26.371 CG :: 24.928 CD :: 41.145 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 :: 7.370 HA :: 2.533(S) HB2 :: 2.194 HB3 :: 1.499 HG2 :: 1.970 HG3 :: 1.782 HD2 :: 3.281 HD3 :: 3.157 HE :: 8.477 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 :: 121.832 NE :: 78.352 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.28 I 0.12 E 0.07 D 0.06 N 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 179.571 CA :: 57.481 CB :: 38.659 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 :: 8.729 HA :: 4.067 HB2 :: 2.675 HB3 :: 2.555 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 :: 122.457 Ave N Shift Values>> N :: 120.73(4.2) N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.18 E 0.17 N 0.16 D 0.07 I 0.05 M 0.03 L 0.02 K 0.01 HN Overlap>> E112 C Shift Assignments>> C :: 178.011 CA :: 55.968 CB :: 37.827 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 :: 7.945 HA :: 4.437 HB2 :: 2.773 HB3 :: 2.773 HD21 :: 7.624 HD22 :: 6.897 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 :: 120.721 ND2 :: 112.715 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.744 CA :: 47.581 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.055 HA2 :: 4.273 HA3 :: 3.975 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.731 Ave N Shift Values>> N :: 109.91(4.29) I94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.440 CA :: 65.789 CB :: 37.175 CG1 :: 28.325 CG2 :: 13.550 CD1 :: 14.004 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 :: 7.345 HA :: 2.538 HB :: 1.474 HG2 :: -0.380(S) HG12 :: 0.828 HG13 :: -0.794(S) HD1 :: 0.466 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 :: 123.459 Ave N Shift Values>> N :: 121.6(4.72) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 M 0.02 G 0.01 C Shift Assignments>> C :: 179.077 CA :: 59.239 CB :: 31.461 CG :: 25.004 CD :: 29.060 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 :: 6.826 HA :: 3.872 HB2 :: 1.847 HB3 :: 1.922 HG2 :: 1.499 HG3 :: 1.360 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.904 HE3 :: 2.904 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 :: 116.935 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.439 CA :: 61.647 CB :: 63.259 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.915 HA :: 4.324 HB2 :: 4.103 HB3 :: 4.093 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 :: 114.492 Ave N Shift Values>> N :: 116.3(3.95) V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.012 CA :: 67.715 CB :: 30.895 CG1 :: 25.357 CG2 :: 23.374 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 :: 8.366 HA :: 3.593 HB :: 2.598 HG1 :: 1.355 HG2 :: 1.224 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 :: 125.965 Ave N Shift Values>> N :: 121.02(4.96) M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 Q 0.22 E 0.16 K 0.04 I 0.01 C Shift Assignments>> C :: 179.631 CA :: 59.560 CB :: 33.492 CG :: 32.312 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 :: 8.696 HA :: 4.124 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 2.731 HG3 :: 2.552 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 :: 121.774 Ave N Shift Values>> N :: 120.1(3.88) E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.15 I 0.11 K 0.1 Q 0.09 C Shift Assignments>> C :: 177.895 CA :: 58.429 CB :: 30.543 CG :: 35.838 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 :: 7.909 HA :: 4.200 HB2 :: 2.127 HB3 :: 2.009 HG2 :: 2.309 HG3 :: 2.185 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 :: 117.221 Ave N Shift Values>> N :: 120.68(3.68) N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.21 D 0.19 F 0.12 Y 0.1 R 0.07 N 0.03 I 0.01 C Shift Assignments>> C :: 176.234 CA :: 55.744 CB :: 41.487 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 :: 8.124 HA :: 4.709 HB2 :: 2.535 HB3 :: 2.311 HD21 :: 7.715 HD22 :: 7.431 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 :: 113.400 ND2 :: 116.531 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 174.760 CA :: 46.986 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.151 HA2 :: 3.956 HA3 :: 3.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.661 Ave N Shift Values>> N :: 109.91(4.29) K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.34 M 0.13 G 0.01 A 0.01 C Shift Assignments>> C :: 176.148 CA :: 56.404 CB :: 31.665 CG :: 23.310 CD :: 29.428 CE :: 42.062 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 :: 7.776 HA :: 4.247 HB2 :: 1.930 HB3 :: 1.968 HG2 :: 1.427 HG3 :: 1.340 HD2 :: 1.769 HD3 :: 1.699 HE2 :: 3.092 HE3 :: 3.092 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 :: 115.557 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.126 CA :: 61.308 CB :: 69.307 CG2 :: 23.062 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 :: 7.766 HA :: 4.373 HB :: 4.485 HG2 :: 1.182 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 :: 118.296 Ave N Shift Values>> N :: 115.7(5.05) T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.319 CA :: 60.432 CB :: 69.161 CG2 :: 21.532 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 :: 7.934 HA :: 4.258 HB :: 4.622 HG2 :: 1.268 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 :: 112.495 Ave N Shift Values>> N :: 115.7(5.05) T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.921 CA :: 63.705 CB :: 68.953 CG2 :: 22.555 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 :: 8.236 HA :: 4.279 HB :: 4.342 HG2 :: 1.234 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 :: 121.990 Ave N Shift Values>> N :: 115.7(5.05) I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.480 CA :: 60.757 CB :: 41.103 CG1 :: 27.278 CG2 :: 16.763 CD1 :: 14.370 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 :: 8.809 HA :: 4.671 HB :: 1.758 HG2 :: 0.634 HG12 :: 1.532 HG13 :: 0.794 HD1 :: 0.737 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 :: 129.149 Ave N Shift Values>> N :: 121.6(4.72) K107 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.7 R 0.22 M 0.06 C Shift Assignments>> C :: 174.268 CA :: 55.392 CB :: 33.222 CG :: 25.075 CD :: 29.620 CE :: 41.454 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 :: 9.439 HA :: 4.602 HB2 :: 2.016 HB3 :: 1.832 HG2 :: 1.283 HG3 :: 1.283 HD2 :: 1.531 HD3 :: 1.345 HE2 :: 2.339 HE3 :: 1.880(S) 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 :: 128.505 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.31 Y 0.08 L 0.08 F 0.08 K 0.01 C Shift Assignments>> C :: 176.602 CA :: 53.199 CB :: 39.620 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 :: 9.044 HA :: 4.907 HB2 :: 3.114 HB3 :: 2.381 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 :: 125.185 Ave N Shift Values>> N :: 120.73(4.2) L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.09 R 0.01 HN Overlap>> A57 C Shift Assignments>> C :: 179.023 CA :: 55.356 CB :: 40.027 CG :: 27.447 CD1 :: 25.762 CD2 :: 22.646 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 :: 9.135 HA :: 4.564 HB2 :: 1.969 HB3 :: 1.864 HG :: 1.719 HD1 :: 0.945 HD2 :: 0.820 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 :: 126.706 Ave N Shift Values>> N :: 121.98(4.07) T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.228 CA :: 63.532 CB :: 69.319 CG2 :: 22.474 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 :: 8.707 HA :: 4.370 HB :: 4.425 HG2 :: 1.342 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 :: 111.204 Ave N Shift Values>> N :: 115.7(5.05) L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.07 R 0.07 G 0.01 C Shift Assignments>> C :: 177.116 CA :: 54.856 CB :: 42.029 CG :: 26.687 CD1 :: 25.286 CD2 :: 22.698 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 :: 7.264 HA :: 4.307 HB2 :: 1.657 HB3 :: 1.521 HG :: 1.519 HD1 :: 0.938 HD2 :: 0.785 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 :: 121.350 Ave N Shift Values>> N :: 121.98(4.07) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.19 K 0.12 Q 0.09 I 0.05 HN Overlap>> N92 C Shift Assignments>> C :: 176.165 CA :: 56.429 CB :: 30.432 CG :: 36.058 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 :: 8.037 HA :: 4.183 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 2.239 HG3 :: 2.157 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 :: 120.781 Ave N Shift Values>> N :: 120.68(3.68) H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.491 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 :: 119.993 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 8 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 4 C Shift Results: #Consistent: 469 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 630 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 4 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: F17 CD1 = 134.608(M), Expected = 131.38, Std = 1.3800, ChiSquare = 1.9329e-02 L19 HD1 = -0.139(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6083e-04 K20 HB2 = 0.576(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.1978e-06 K20 HB3 = -0.117(S), Expected = 1.78, Std = 0.2600, ChiSquare = 2.9611e-13 S30 HB3 = 1.500(M), Expected = 3.87, Std = 0.3100, ChiSquare = 2.0868e-14 K36 HA = 2.720(S), Expected = 4.28, Std = 0.4500, ChiSquare = 5.2695e-04 K36 HB3 = 0.911(S), Expected = 1.78, Std = 0.2600, ChiSquare = 8.3085e-04 K36 SRO Rule Break>> HA > HE2 : 0.99351606248158 A39 HA = 2.753(S), Expected = 4.26, Std = 0.4200, ChiSquare = 3.3310e-04 I43 HG2 = -0.555(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.9768e-06 I43 HG13 = -0.995(S), Expected = 1.24, Std = 0.4000, ChiSquare = 2.3036e-08 E59 HB3 = -0.391(M), Expected = 2.04, Std = 0.2300, ChiSquare = 4.1240e-26 E59 SRO Rule Break>> CG > CB : 0.99165623696287 L70 CD2 = 28.960(M), Expected = 24.10, Std = 1.7800, ChiSquare = 6.3270e-03 S81 HB2 = 1.428(M), Expected = 3.88, Std = 0.2900, ChiSquare = 2.7868e-17 S81 HB3 = 1.428(M), Expected = 3.87, Std = 0.3100, ChiSquare = 3.3421e-15 R90 HA = 2.533(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8897e-05 R90 SRO Rule Break>> HA > HD2 : 0.991153846153846 I94 HG2 = -0.380(S), Expected = 0.80, Std = 0.2900, ChiSquare = 4.7222e-05 I94 HG13 = -0.794(S), Expected = 1.24, Std = 0.4000, ChiSquare = 3.6763e-07 K107 HE3 = 1.880(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.5210e-07 K107 SRO Rule Break>> HE3 > HB2 : 0.99703557312253