Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.22 D 0.21 L 0.19 F 0.15 C 0.08 I 0.05 R 0.03 N 0.03 C Shift Assignments>> CA :: 41.405 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.763 HA3 :: 3.763 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.39 L 0.28 K 0.07 C 0.07 D 0.06 F 0.05 G 0.04 I 0.01 C Shift Assignments>> CA :: 43.066 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.934 HA3 :: 3.934 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.335 CB :: 61.693 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.370 HB2 :: 3.805 HB3 :: 3.805 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.29 K 0.09 C 0.07 D 0.07 F 0.05 G 0.03 I 0.01 C Shift Assignments>> C :: 171.417 CA :: 42.928 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.340 HA2 :: 3.828 HA3 :: 3.828 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.281 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.33 A 0.09 C Shift Assignments>> C :: 174.035 CA :: 52.801 CB :: 31.231 CG :: 29.761 CE :: 14.493 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 :: 8.051 HA :: 4.301 HB2 :: 1.827 HB3 :: 1.827 HG2 :: 2.307 HG3 :: 2.405 HE1 :: 1.883 HE2 :: 1.883 HE3 :: 1.883 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 :: 118.898 Ave N Shift Values>> N :: 120.1(3.88) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.23 K 0.18 E 0.09 R 0.05 M 0.01 C Shift Assignments>> C :: 173.923 CA :: 54.011 CB :: 27.253 CG :: 34.788 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 :: 8.999 HA :: 4.362 HB2 :: 2.044 HB3 :: 1.411 HG2 :: 2.434 HG3 :: 2.497 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 :: 124.981 Ave N Shift Values>> N :: 120.68(3.68) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.38 G 0.1 C Shift Assignments>> C :: 176.585 CA :: 64.415 CB :: 29.559 CG :: 25.630 CD :: 48.504 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 :: 4.083 HB2 :: 2.291 HB3 :: 2.113 HG2 :: 1.966 HG3 :: 2.217 HD2 :: 3.879 HD3 :: 3.963 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 W 0.2 C Shift Assignments>> C :: 174.598 CA :: 57.914 CB :: 25.363 CD1 :: 125.248 CE3 :: 117.511 CZ2 :: 112.294 CZ3 :: 119.286 CH2 :: 122.705 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 :: 8.894 HA :: 3.989 HB2 :: 3.324 HB3 :: 3.324 HD1 :: 7.474 HE1 :: 10.136 HE3 :: 7.147 HZ2 :: 7.275 HZ3 :: 6.770 HH2 :: 6.763 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 :: 115.070 NE1 :: 129.421 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 L 0.06 A 0.05 R 0.04 M 0.01 K 0.01 C Shift Assignments>> C :: 177.262 CA :: 56.890 CB :: 29.477 CG :: 21.788 CD :: 27.044 CE :: 39.778 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 :: 6.273 HA :: 3.168 HB2 :: 1.256 HB3 :: 1.109 HG2 :: -0.357(S) HG3 :: -0.434(S) HD2 :: 1.134 HD3 :: 1.200 HE2 :: 2.559 HE3 :: 2.687 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 :: 122.892 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.28 R 0.23 Q 0.1 M 0.02 C Shift Assignments>> C :: 175.771 CA :: 56.962 CB :: 26.099 CG :: 32.443 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 :: 7.450 HA :: 3.731 HB2 :: 2.086 HB3 :: 1.957 HG2 :: 2.164 HG3 :: 2.164 HE21 :: 7.450 HE22 :: 7.097 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 :: 119.108 NE2 :: 112.298 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.31 L 0.2 C 0.15 I 0.08 R 0.06 V 0.05 M 0.03 T 0.02 Q 0.01 W 0.01 C Shift Assignments>> C :: 172.950 CA :: 58.539 CB :: 24.203 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.043 HA :: 2.172(S) HB2 :: 2.444 HB3 :: 2.975 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.209 Ave N Shift Values>> N :: 119.95(4.79) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.22 C 0.01 I 0.01 C Shift Assignments>> C :: 175.577 CA :: 53.404 CB :: 15.168 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.814 HA :: 3.638 HB1 :: 1.264 HB2 :: 1.264 HB3 :: 1.264 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.968 Ave N Shift Values>> N :: 123.23(3.7) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.31 K 0.28 M 0.03 Q 0.03 C Shift Assignments>> C :: 174.936 CA :: 55.940 CB :: 26.006 CG :: 31.441 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 :: 7.448 HA :: 3.578 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 2.056 HG3 :: 2.131 HE21 :: 6.805 HE22 :: 7.124 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 :: 113.011 NE2 :: 112.247 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 W 0.02 C Shift Assignments>> C :: 175.699 CA :: 60.341 CB :: 26.049 CD1 :: 126.583 CE3 :: 117.324 CZ2 :: 111.647 CH2 :: 120.749 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.781 HA :: 4.208 HB2 :: 3.269 HB3 :: 2.918 HD1 :: 7.802 HE1 :: 10.548 HE3 :: 7.290 HZ2 :: 6.964 HZ3 :: 6.775 HH2 :: 6.766 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 :: 122.189 NE1 :: 132.700 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 A 0.16 L 0.08 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> C :: 177.035 CA :: 55.758 CB :: 38.972 CG :: 24.146 CD1 :: 25.180 CD2 :: 21.623 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 :: 8.303 HA :: 3.297 HB2 :: 2.015 HB3 :: 0.801 HG :: 2.076 HD11 :: 0.653 HD12 :: 0.653 HD13 :: 0.653 HD21 :: 0.624 HD22 :: 0.624 HD23 :: 0.624 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 :: 117.897 Ave N Shift Values>> N :: 121.98(4.07) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 179.205 CA :: 62.391 CB :: 35.326 CG1 :: 27.023 CG2 :: 14.939 CD1 :: 12.123 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 :: 7.584 HA :: 3.934 HB :: 1.750 HG12 :: 1.402 HG13 :: 0.639 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 HD11 :: 0.509 HD12 :: 0.509 HD13 :: 0.509 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 :: 120.973 Ave N Shift Values>> N :: 121.6(4.72) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 C 0.39 W 0.1 C Shift Assignments>> C :: 175.363 CA :: 56.539 CB :: 28.256 CD2 :: 116.955 CE1 :: 135.866 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.399 HA :: 4.400 HB2 :: 3.307 HB3 :: 3.035 HD2 :: 6.947 HE1 :: 7.799 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 :: 124.635 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 C 0.15 R 0.15 L 0.14 I 0.13 Q 0.04 W 0.03 H 0.02 M 0.01 E 0.01 V 0.01 C Shift Assignments>> C :: 171.061 CA :: 58.602 CB :: 25.358 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.832 HA :: 3.906 HB2 :: 2.299 HB3 :: 2.174 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.301 Ave N Shift Values>> N :: 119.95(4.79) 1.K22 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.39 A 0.07 C Shift Assignments>> C :: 173.562 CA :: 54.777 CB :: 25.889(S) CG :: 22.619 CD :: 26.415 CE :: 39.962 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 :: 7.840 HA :: 3.969 HB2 :: 1.843 HB3 :: 1.896 HG2 :: 1.172 HG3 :: 1.262 HD2 :: 1.496 HD3 :: 1.605 HE2 :: 2.906 HE3 :: 2.906 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 :: 112.151 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 C Shift Assignments>> C :: 172.260 CA :: 60.276 CB :: 30.031 CG1 :: 20.102 CG2 :: 20.066 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.604 HA :: 3.929 HB :: 1.856 HG11 :: 0.634 HG12 :: 0.634 HG13 :: 0.634 HG21 :: 0.603 HG22 :: 0.603 HG23 :: 0.603 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 :: 113.023 Ave N Shift Values>> N :: 121.02(4.96) 1.L24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 A 0.36 C 0.12 L 0.01 C Shift Assignments>> C :: 171.228 CA :: 48.156(S) CB :: 42.489 CG :: 24.249 CD1 :: 23.063 CD2 :: 20.614 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 :: 6.338 HA :: 4.591 HB2 :: 1.021 HB3 :: 0.842 HG :: 1.031 HD11 :: 0.256 HD12 :: 0.256 HD13 :: 0.256 HD21 :: 0.177 HD22 :: 0.177 HD23 :: 0.177 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 :: 116.753 Ave N Shift Values>> N :: 121.98(4.07) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 G 0.07 C Shift Assignments>> C :: 174.326 CA :: 59.524 CB :: 30.400 CG :: 24.799 CD :: 48.014 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 :: 4.491 HB2 :: 2.274 HB3 :: 2.036 HG2 :: 1.974 HG3 :: 2.118 HD2 :: 3.491 HD3 :: 3.755 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 S 0.15 C 0.13 C Shift Assignments>> C :: 172.248 CA :: 62.015 CB :: 66.710 CG2 :: 19.806 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 :: 8.208 HA :: 3.770 HB :: 4.099 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 110.075 Ave N Shift Values>> N :: 115.7(5.05) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 P 0.33 N 0.14 M 0.06 K 0.01 Q 0.01 C Shift Assignments>> C :: 173.150 CA :: 49.771 CB :: 35.301 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 :: 4.745 HB2 :: 2.817 HB3 :: 2.979 HD21 :: 7.562 HD22 :: 6.734 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 :: 110.986 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 C 0.38 W 0.18 C Shift Assignments>> C :: 172.814 CA :: 56.857 CB :: 29.541 CD2 :: 116.247 CE1 :: 135.368 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 :: 7.300 HA :: 3.830 HB2 :: 2.440 HB3 :: 3.247 HD2 :: 6.995 HE1 :: 7.455 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 :: 118.224 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R29 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.53 C 0.37 K 0.07 C Shift Assignments>> C :: 175.706 CA :: 55.693 CB :: 25.758 CG :: 24.237 CD :: 40.385 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 :: 7.474 HA :: 1.455(A) HB2 :: 0.418(S) HB3 :: 0.507(S) HG2 :: 0.569(S) HG3 :: 0.569(S) HD2 :: 2.584 HD3 :: 2.584 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.834 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) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.24 V 0.17 C Shift Assignments>> C :: 172.558 CA :: 62.673 CB :: 29.260 CG1 :: 19.299 CG2 :: 17.948 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 :: 10.080 HA :: 3.916 HB :: 2.323 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 118.430 Ave N Shift Values>> N :: 121.02(4.96) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.14 S 0.01 C Shift Assignments>> C :: 173.478 CA :: 59.711 CB :: 68.561 CG2 :: 19.919 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 :: 8.304 HA :: 4.271 HB :: 4.370 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 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 :: 107.592 Ave N Shift Values>> N :: 115.7(5.05) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 W 0.09 C Shift Assignments>> C :: 176.156 CA :: 52.862 CB :: 27.665 CD1 :: 122.666 CE3 :: 118.447 CZ2 :: 112.041 CZ3 :: 119.734 CH2 :: 122.620 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.530 HA :: 4.823 HB2 :: 3.174 HB3 :: 3.415 HD1 :: 6.801 HE1 :: 9.275 HE3 :: 7.389 HZ2 :: 7.332 HZ3 :: 6.980 HH2 :: 7.071 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 :: 123.794 NE1 :: 126.395 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.29 N 0.27 F 0.13 E 0.1 D 0.1 M 0.03 I 0.02 L 0.02 C Shift Assignments>> C :: 174.813 CA :: 55.105 CB :: 37.930 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>> HA :: 4.369 HB2 :: 2.659 HB3 :: 2.659 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 C 0.04 C Shift Assignments>> C :: 172.631 CA :: 55.221 CB :: 61.314 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.726 HA :: 4.382 HB2 :: 3.809 HB3 :: 4.157 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 :: 108.988 Ave N Shift Values>> N :: 116.3(3.95) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 174.292 CA :: 51.000 CB :: 18.748 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.639 HA :: 4.282 HB1 :: 1.673 HB2 :: 1.673 HB3 :: 1.673 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.556 Ave N Shift Values>> N :: 123.23(3.7) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.34 K 0.08 P 0.04 R 0.04 Q 0.02 HN Overlap>> 1.R83 1.R83 C Shift Assignments>> C :: 174.210 CA :: 51.181 CB :: 30.748 CG :: 31.433 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 :: 8.829 HA :: 4.602 HB2 :: 1.480 HB3 :: 2.043 HG2 :: 2.265 HG3 :: 2.327 HE21 :: 6.775 HE22 :: 7.526 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.763 NE2 :: 112.755 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 173.806 CA :: 62.362 CB :: 27.858 CG1 :: 20.222 CG2 :: 16.164 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 :: 8.051 HA :: 1.890(S) HB :: 0.559(S) HG11 :: 0.533 HG12 :: 0.533 HG13 :: 0.533 HG21 :: 0.385 HG22 :: 0.385 HG23 :: 0.385 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.474 Ave N Shift Values>> N :: 121.02(4.96) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 F 0.11 C Shift Assignments>> C :: 174.316 CA :: 57.424 CB :: 36.209 CD1 :: 129.129 CD2 :: 129.129 CE1 :: 129.244 CE2 :: 129.244 CZ :: 127.686 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 :: 7.006 HA :: 3.728 HB2 :: 2.664 HB3 :: 2.901 HD1 :: 6.915 HD2 :: 6.915 HE1 :: 7.125 HE2 :: 7.125 HZ :: 7.086 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 :: 117.891 Ave N Shift Values>> N :: 120.69(4.18) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.25 D 0.16 F 0.15 E 0.05 L 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.004 CA :: 55.108 CB :: 38.495 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.736 HA :: 4.176 HB2 :: 2.240 HB3 :: 2.773 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.862 Ave N Shift Values>> N :: 120.73(4.2) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 A 0.47 L 0.02 C Shift Assignments>> C :: 175.175 CA :: 54.874 CB :: 39.034 CG :: 25.163 CD1 :: 20.215 CD2 :: 24.800 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 :: 6.861 HA :: 3.943 HB2 :: 2.022 HB3 :: 1.319 HG :: 1.595 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 HD21 :: 1.265 HD22 :: 1.265 HD23 :: 1.265 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 :: 120.367 Ave N Shift Values>> N :: 121.98(4.07) 1.A41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.86 A 0.08 I 0.03 C 0.01 C Shift Assignments>> C :: 177.051 CA :: 53.705 CB :: 14.235 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.276 HA :: 3.031 HB1 :: 0.181(S) HB2 :: 0.181(S) HB3 :: 0.181(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.372 Ave N Shift Values>> N :: 123.23(3.7) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.34 K 0.25 M 0.02 C Shift Assignments>> C :: 175.965 CA :: 56.230 CB :: 25.908 CG :: 30.775 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 :: 7.950 HA :: 3.540 HB2 :: 1.770 HB3 :: 1.770 HG2 :: 2.063 HG3 :: 1.959 HE21 :: 6.917 HE22 :: 6.644 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 :: 113.804 NE2 :: 111.705 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.09 S 0.05 C Shift Assignments>> C :: 172.872 CA :: 63.289 CB :: 66.901 CG2 :: 19.508 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 :: 7.024 HA :: 3.913 HB :: 4.170 HG21 :: 1.021 HG22 :: 1.021 HG23 :: 1.021 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 :: 112.969 Ave N Shift Values>> N :: 115.7(5.05) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 C 0.15 C Shift Assignments>> C :: 175.768 CA :: 52.132 CB :: 41.557 CG :: 23.640 CD1 :: 22.624 CD2 :: 19.228 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 :: 7.206 HA :: 4.481 HB2 :: 1.390 HB3 :: 1.615 HG :: 1.751 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 HD21 :: 0.535 HD22 :: 0.535 HD23 :: 0.535 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 :: 117.098 Ave N Shift Values>> N :: 121.98(4.07) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.35 R 0.16 L 0.05 C Shift Assignments>> C :: 171.164 CA :: 58.521 CB :: 29.681 CG :: 24.751 CD :: 41.875 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 :: 7.154 HA :: 3.509 HB2 :: 1.638 HB3 :: 1.809 HG2 :: 1.494 HG3 :: 1.629 HD2 :: 2.648 HD3 :: 2.871 HE :: 6.752 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.967 NE :: 83.210 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.26 C 0.15 L 0.05 F 0.03 C Shift Assignments>> C :: 175.292 CA :: 51.146 CB :: 39.735 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.960 HA :: 4.466 HB2 :: 2.656 HB3 :: 3.451 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 :: 110.166 Ave N Shift Values>> N :: 120.73(4.2) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 171.707 CA :: 45.259 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.639 HA2 :: 3.342 HA3 :: 3.943 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.530 Ave N Shift Values>> N :: 109.91(4.29) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.22 I 0.01 C Shift Assignments>> C :: 175.703 CA :: 66.056 CB :: 29.204 CG1 :: 18.780 CG2 :: 21.508 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 :: 8.231 HA :: 3.110 HB :: 2.010 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.475 Ave N Shift Values>> N :: 121.02(4.96) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.29 L 0.02 C Shift Assignments>> C :: 177.013 CA :: 55.718 CB :: 38.326 CG :: 25.007 CD1 :: 20.513 CD2 :: 23.811 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 :: 8.060 HA :: 3.920 HB2 :: 0.984 HB3 :: 1.528 HG :: 1.754 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 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 :: 116.898 Ave N Shift Values>> N :: 121.98(4.07) 1.L50 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 A 0.33 V 0.01 C Shift Assignments>> C :: 175.717 CA :: 55.127 CB :: 36.559 CG :: 23.543 CD1 :: 23.814 CD2 :: 20.701 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 :: 8.118 HA :: 3.621 HB2 :: 1.016 HB3 :: 0.155(S) HG :: 1.571 HD11 :: 0.329 HD12 :: 0.329 HD13 :: 0.329 HD21 :: 0.350 HD22 :: 0.350 HD23 :: 0.350 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 :: 117.025 Ave N Shift Values>> N :: 121.98(4.07) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 P 0.24 C 0.1 V 0.07 T 0.02 K 0.02 R 0.01 W 0.01 C Shift Assignments>> C :: 174.132 CA :: 62.987 CB :: 25.216 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.220 HA :: 4.063 HB2 :: 3.084 HB3 :: 2.168 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.572 Ave N Shift Values>> N :: 119.95(4.79) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.32 R 0.25 M 0.03 Q 0.03 C Shift Assignments>> C :: 176.076 CA :: 56.645 CB :: 25.619 CG :: 31.716 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 :: 7.888 HA :: 3.782 HB2 :: 1.860 HB3 :: 2.110 HG2 :: 2.320 HG3 :: 2.141 HE21 :: 6.547 HE22 :: 6.966 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 :: 116.753 NE2 :: 110.012 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.22 L 0.1 C Shift Assignments>> C :: 175.450 CA :: 55.891 CB :: 39.160 CG :: 25.480 CD1 :: 20.947 CD2 :: 24.620 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 :: 8.561 HA :: 3.552 HB2 :: 2.517 HB3 :: 1.255 HG :: 1.255 HD11 :: 0.485 HD12 :: 0.485 HD13 :: 0.485 HD21 :: 0.911 HD22 :: 0.911 HD23 :: 0.911 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.925 Ave N Shift Values>> N :: 121.98(4.07) 1.L54 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 A 0.28 C Shift Assignments>> C :: 176.524 CA :: 56.103 CB :: 37.221 CG :: 23.419 CD1 :: 26.055 CD2 :: 19.434 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 :: 7.087 HA :: 3.845 HB2 :: 1.505 HB3 :: 1.916 HG :: 2.141 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.197 HD22 :: 0.197 HD23 :: 0.197 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 :: 113.229 Ave N Shift Values>> N :: 121.98(4.07) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 N 0.24 M 0.13 E 0.04 P 0.04 K 0.04 Q 0.03 C Shift Assignments>> C :: 175.008 CA :: 51.585 CB :: 35.516 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 :: 6.869 HA :: 5.075 HB2 :: 2.848 HB3 :: 2.631 HD21 :: 7.356 HD22 :: 7.270 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 :: 115.136 ND2 :: 107.279 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.21 Q 0.12 K 0.09 P 0.05 N 0.05 E 0.03 H 0.02 W 0.01 R 0.01 C Shift Assignments>> C :: 175.118 CA :: 52.159 CB :: 34.396 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 :: 8.024 HA :: 4.314 HB2 :: 2.702 HB3 :: 2.825 HD21 :: 6.994 HD22 :: 6.526 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 :: 120.500 ND2 :: 106.807 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 C 0.41 L 0.05 C Shift Assignments>> C :: 174.463 CA :: 54.742 CB :: 40.711 CG :: 24.203 CD1 :: 23.555 CD2 :: 20.221 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 :: 7.747 HA :: 4.175 HB2 :: 1.266 HB3 :: 2.230 HG :: 1.891 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.904 HD22 :: 0.904 HD23 :: 0.904 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 :: 120.101 Ave N Shift Values>> N :: 121.98(4.07) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.3 L 0.27 R 0.02 C Shift Assignments>> C :: 171.104 CA :: 53.719 CB :: 28.818 CG :: 24.459 CD :: 40.696 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 :: 8.505 HA :: 4.128 HB2 :: 1.466 HB3 :: 1.466 HG2 :: 1.332 HG3 :: 1.332 HD2 :: 2.787 HD3 :: 2.787 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.695 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 C 0.01 C Shift Assignments>> C :: 175.705 CA :: 51.255 CB :: 15.944 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.467 HA :: 4.156 HB1 :: 1.006 HB2 :: 1.006 HB3 :: 1.006 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.053 Ave N Shift Values>> N :: 123.23(3.7) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 H 0.34 W 0.08 C Shift Assignments>> C :: 173.249 CA :: 54.749 CB :: 24.875 CD2 :: 118.023 CE1 :: 136.191 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.517 HA :: 4.066 HB2 :: 3.292 HB3 :: 3.159 HD2 :: 6.841 HE1 :: 7.731 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 :: 112.315 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 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 :: 171.798 CA :: 61.272 CB :: 61.590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.179 HA :: 4.120 HB2 :: 3.630 HB3 :: 3.957 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 :: 118.182 Ave N Shift Values>> N :: 116.3(3.95) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 I 0.28 A 0.03 C Shift Assignments>> C :: 173.215 CA :: 57.051 CB :: 39.086 CG1 :: 24.883 CG2 :: 15.596 CD1 :: 11.947 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 :: 9.211 HA :: 4.083 HB :: 1.458 HG12 :: 1.329 HG13 :: 0.895 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 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 :: 120.839 Ave N Shift Values>> N :: 121.6(4.72) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 N 0.3 P 0.1 M 0.07 E 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 174.016 CA :: 50.545 CB :: 35.821 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 :: 8.860 HA :: 4.456 HB2 :: 2.687 HB3 :: 2.805 HD21 :: 7.702 HD22 :: 6.888 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 :: 126.960 ND2 :: 112.262 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 A 0.36 L 0.03 C Shift Assignments>> C :: 176.369 CA :: 55.340 CB :: 38.899 CG :: 24.770 CD1 :: 22.871 CD2 :: 20.432 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 :: 8.561 HA :: 3.819 HB2 :: 1.482 HB3 :: 1.701 HG :: 1.701 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 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) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.11 A 0.04 R 0.03 K 0.03 HN Overlap>> 1.I127 1.I127 C Shift Assignments>> C :: 175.539 CA :: 55.588 CB :: 29.627 CG :: 22.947 CD :: 26.674 CE :: 39.719 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 :: 8.045 HA :: 4.082 HB2 :: 1.746 HB3 :: 1.746 HG2 :: 1.351 HG3 :: 1.424 HD2 :: 1.605 HD3 :: 1.605 HE2 :: 2.906 HE3 :: 2.906 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 :: 114.942 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.29 K 0.24 E 0.07 R 0.06 M 0.02 C Shift Assignments>> C :: 173.552 CA :: 53.649 CB :: 28.121 CG :: 34.170 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 :: 7.785 HA :: 4.210 HB2 :: 1.907 HB3 :: 2.197 HG2 :: 2.182 HG3 :: 2.090 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 :: 115.796 Ave N Shift Values>> N :: 120.68(3.68) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.27 A 0.01 C Shift Assignments>> C :: 171.714 CA :: 57.757 CB :: 37.139 CG1 :: 24.385 CG2 :: 16.014 CD1 :: 12.146 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 :: 7.047 HA :: 4.244 HB :: 1.891 HG12 :: 0.905 HG13 :: 1.308 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 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 :: 114.555 Ave N Shift Values>> N :: 121.6(4.72) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.23 D 0.08 F 0.02 C Shift Assignments>> CA :: 50.396 CB :: 37.963 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 :: 8.845 HA :: 4.804 HB2 :: 2.558 HB3 :: 2.447 HD21 :: 7.448 HD22 :: 6.992 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 :: 121.226 ND2 :: 115.903 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 C 0.4 L 0.14 C Shift Assignments>> CA :: 54.051 CB :: 40.004 CG :: 24.909 CD1 :: 23.129 CD2 :: 21.033 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 :: 8.568 HA :: 4.039 HB2 :: 1.594 HB3 :: 1.464 HG :: 1.589 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.723 HD22 :: 0.723 HD23 :: 0.723 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 :: 123.436 Ave N Shift Values>> N :: 121.98(4.07) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.4 K 0.3 C 0.24 R 0.02 C Shift Assignments>> CA :: 51.366 CB :: 28.269 CG :: 24.873 CD :: 41.314 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 4.610 HB2 :: 1.779 HB3 :: 1.527 HG2 :: 1.475 HG3 :: 1.475 HD2 :: 3.134 HD3 :: 3.100 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 G 0.39 P 0.01 C Shift Assignments>> C :: 174.203 CA :: 61.792 CB :: 30.903 CG :: 25.946 CD :: 46.903 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 :: 4.196 HB2 :: 2.157 HB3 :: 1.750 HG2 :: 1.742 HG3 :: 2.033 HD2 :: 3.537 HD3 :: 3.442 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.16 M 0.07 Q 0.02 C Shift Assignments>> C :: 173.389 CA :: 54.177 CB :: 24.940 CG :: 31.871 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 :: 8.672 HA :: 3.738 HB2 :: 2.029 HB3 :: 2.029 HG2 :: 2.204 HG3 :: 2.074 HE21 :: 7.446 HE22 :: 6.778 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 :: 119.278 NE2 :: 111.670 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.14 A 0.05 C Shift Assignments>> C :: 173.206 CA :: 52.838 CB :: 27.797 CG :: 30.859 CE :: 13.901 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 :: 8.254 HA :: 4.295 HB2 :: 1.955 HB3 :: 2.358 HG2 :: 2.472 HG3 :: 2.656 HE1 :: 1.890 HE2 :: 1.890 HE3 :: 1.890 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 :: 112.406 Ave N Shift Values>> N :: 120.1(3.88) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 174.044 CA :: 55.268 CB :: 61.422 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.629 HA :: 4.439 HB2 :: 3.943 HB3 :: 4.106 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 :: 113.514 Ave N Shift Values>> N :: 116.3(3.95) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.34 K 0.2 Q 0.04 M 0.01 C Shift Assignments>> C :: 174.241 CA :: 58.172 CB :: 26.566 CG :: 31.619 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>> HA :: 3.226 HB2 :: 2.213 HB3 :: 1.921 HG2 :: 1.776 HG3 :: 1.845 HE21 :: 7.092 HE22 :: 7.403 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>> NE2 :: 112.054 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 F 0.23 C Shift Assignments>> C :: 175.897 CA :: 59.039 CB :: 36.892 CD1 :: 129.359 CD2 :: 129.359 CE1 :: 129.222 CE2 :: 129.222 CZ :: 127.800 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 :: 8.453 HA :: 4.010 HB2 :: 2.795 HB3 :: 3.151 HD1 :: 7.119 HD2 :: 7.119 HE1 :: 7.350 HE2 :: 7.350 HZ :: 7.228 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 :: 116.539 Ave N Shift Values>> N :: 120.69(4.18) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 C 0.38 L 0.05 C Shift Assignments>> C :: 177.331 CA :: 54.662 CB :: 40.658 CG :: 24.512 CD1 :: 23.670 CD2 :: 19.843 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 :: 7.175 HA :: 3.871 HB2 :: 1.180 HB3 :: 1.892 HG :: 1.758 HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 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 :: 116.250 Ave N Shift Values>> N :: 121.98(4.07) 1.C78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.14 P 0.12 R 0.11 W 0.06 K 0.03 Q 0.03 L 0.02 H 0.02 E 0.02 C Shift Assignments>> C :: 175.018 CA :: 60.764 CB :: 26.738 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.272 HA :: 4.165 HB2 :: 2.554 HB3 :: 2.554 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.786 Ave N Shift Values>> N :: 119.95(4.79) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.37 HN Overlap>> 1.L18 1.T118 1.L18 1.T118 C Shift Assignments>> C :: 176.637 CA :: 55.623 CB :: 38.161 CG :: 24.372 CD1 :: 23.847 CD2 :: 19.782 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 :: 8.227 HA :: 3.598 HB2 :: 1.574 HB3 :: 0.986 HG :: 1.133 HD11 :: 0.464 HD12 :: 0.464 HD13 :: 0.464 HD21 :: 0.036 HD22 :: 0.036 HD23 :: 0.036 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 :: 117.903 Ave N Shift Values>> N :: 121.98(4.07) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.12 R 0.04 K 0.02 A 0.01 C Shift Assignments>> C :: 177.039 CA :: 57.436 CB :: 29.230 CG :: 22.514 CD :: 26.819 CE :: 39.808 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 :: 7.014 HA :: 3.860 HB2 :: 1.565 HB3 :: 1.717 HG2 :: 1.276 HG3 :: 1.276 HD2 :: 1.451 HD3 :: 1.513 HE2 :: 2.840 HE3 :: 2.840 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 :: 118.133 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.18 N 0.13 E 0.13 K 0.08 Q 0.06 F 0.01 H 0.01 C Shift Assignments>> C :: 174.745 CA :: 53.614 CB :: 35.520 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 :: 7.501 HA :: 4.233 HB2 :: 2.542 HB3 :: 3.635 HD21 :: 7.408 HD22 :: 7.701 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 :: 120.071 ND2 :: 107.419 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 175.364 CA :: 63.988 CB :: 36.946 CG1 :: 27.974 CG2 :: 16.480 CD1 :: 11.871 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.391 HA :: 3.469 HB :: 1.706 HG12 :: 1.963 HG13 :: 0.717 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 HD11 :: 1.050 HD12 :: 1.050 HD13 :: 1.050 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 :: 119.102 Ave N Shift Values>> N :: 121.6(4.72) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.3 K 0.23 R 0.07 HN Overlap>> 1.Q36 1.Q36 C Shift Assignments>> C :: 176.679 CA :: 58.196 CB :: 27.250 CG :: 26.907 CD :: 41.107 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 :: 8.830 HA :: 3.947 HB2 :: 1.827 HB3 :: 1.827 HG2 :: 1.695 HD2 :: 3.057 HD3 :: 3.003 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.674 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.22 S 0.07 C Shift Assignments>> C :: 174.156 CA :: 65.907 CB :: 65.348 CG2 :: 19.833 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 :: 8.214 HA :: 4.434 HB :: 3.815 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 119.550 Ave N Shift Values>> N :: 115.7(5.05) 1.F85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 F 0.03 H 0.01 C Shift Assignments>> C :: 173.885 CA :: 59.061 CB :: 35.816 CD1 :: 131.922 CD2 :: 131.922 CE1 :: 126.829 CE2 :: 126.829(S) CZ :: 127.222 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 :: 7.779 HA :: 4.043 HB2 :: 3.444 HB3 :: 3.328 HD1 :: 6.952 HD2 :: 6.952 HE1 :: 6.970 HE2 :: 6.970 HZ :: 6.810 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 :: 123.405 Ave N Shift Values>> N :: 120.69(4.18) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 A 0.32 L 0.03 C Shift Assignments>> C :: 177.294 CA :: 55.989 CB :: 39.475 CG :: 24.646 CD1 :: 23.439 CD2 :: 19.784 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 :: 8.611 HA :: 3.494 HB2 :: 1.868 HB3 :: 1.185 HG :: 1.765 HD11 :: 0.555 HD12 :: 0.555 HD13 :: 0.555 HD21 :: 0.035 HD22 :: 0.035 HD23 :: 0.035 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 :: 121.386 Ave N Shift Values>> N :: 121.98(4.07) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.09 S 0.03 C Shift Assignments>> C :: 173.918 CA :: 64.647 CB :: 66.546 CG2 :: 19.352 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 :: 8.385 HA :: 3.781 HB :: 4.134 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.026 Ave N Shift Values>> N :: 115.7(5.05) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.39 C 0.01 C Shift Assignments>> C :: 179.023 CA :: 53.124 CB :: 17.161 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.647 HA :: 4.332 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.351 Ave N Shift Values>> N :: 123.23(3.7) 1.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 P 0.17 V 0.17 C 0.09 T 0.06 K 0.01 C Shift Assignments>> C :: 174.113 CA :: 63.731 CB :: 24.791 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.080 HA :: 3.769 HB2 :: 3.023 HB3 :: 2.588 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.449 Ave N Shift Values>> N :: 119.95(4.79) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 R 0.16 C 0.15 L 0.14 I 0.13 Q 0.04 W 0.03 H 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 174.798 CA :: 58.549 CB :: 25.531 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.870 HA :: 4.645 HB2 :: 2.869 HB3 :: 2.869 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.498 Ave N Shift Values>> N :: 119.95(4.79) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.25 K 0.23 E 0.11 R 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 175.756 CA :: 57.209 CB :: 27.892 CG :: 34.159 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 :: 8.772 HA :: 3.935 HB2 :: 1.902 HB3 :: 1.952 HG2 :: 2.360 HG3 :: 2.177 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 :: 117.625 Ave N Shift Values>> N :: 120.68(3.68) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 S 0.16 C 0.13 C Shift Assignments>> C :: 172.633 CA :: 62.567 CB :: 66.368 CG2 :: 19.982 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 :: 8.540 HA :: 4.206 HB :: 4.126 HG21 :: 0.606 HG22 :: 0.606 HG23 :: 0.606 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 :: 113.017 Ave N Shift Values>> N :: 115.7(5.05) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 F 0.22 C Shift Assignments>> C :: 173.951 CA :: 57.222 CB :: 36.651 CD1 :: 129.407 CD2 :: 129.407 CE1 :: 129.498 CE2 :: 129.498 CZ :: 127.896 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 :: 7.062 HA :: 4.266 HB2 :: 3.210 HB3 :: 3.435 HD1 :: 7.255 HD2 :: 7.255 HE1 :: 7.036 HE2 :: 7.036 HZ :: 7.429 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 :: 115.941 Ave N Shift Values>> N :: 120.69(4.18) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.22 R 0.18 C 0.1 F 0.02 D 0.02 C Shift Assignments>> C :: 172.296 CA :: 44.424 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.097 HA2 :: 3.888 HA3 :: 3.828 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.951 Ave N Shift Values>> N :: 109.91(4.29) 1.M95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 M 0.45 A 0.08 C Shift Assignments>> C :: 172.657 CA :: 54.283 CB :: 30.287 CG :: 31.104 CE :: 15.144 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 :: 8.049 HA :: 4.148 HB2 :: 2.303 HB3 :: 2.303 HG2 :: 1.176(S) HG3 :: 2.033 HE1 :: 1.900 HE2 :: 1.900 HE3 :: 1.900 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 :: 118.664 Ave N Shift Values>> N :: 120.1(3.88) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.31 L 0.21 R 0.05 C Shift Assignments>> C :: 175.914 CA :: 52.626 CB :: 29.102 CG :: 25.229 CD :: 40.972 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 :: 8.699 HA :: 4.354 HB2 :: 1.479 HB3 :: 1.859 HG2 :: 1.582 HG3 :: 1.651 HD2 :: 3.056 HD3 :: 3.056 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 L 0.06 K 0.05 R 0.04 C Shift Assignments>> C :: 176.739 CA :: 57.802 CB :: 29.687 CG :: 23.104 CD :: 26.875 CE :: 39.775 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 :: 8.776 HA :: 3.604 HB2 :: 1.711 HB3 :: 1.783 HG2 :: 1.336 HG3 :: 1.442 HD2 :: 1.581 HD3 :: 1.581 HE2 :: 2.897 HE3 :: 2.897 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.192 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 172.941 CA :: 57.594 CB :: 60.065 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.010 HA :: 4.067 HB2 :: 3.728 HB3 :: 3.911 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.762 Ave N Shift Values>> N :: 116.3(3.95) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.21 K 0.21 E 0.15 M 0.02 R 0.02 C Shift Assignments>> C :: 173.618 CA :: 53.508 CB :: 28.406 CG :: 35.042 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 :: 7.666 HA :: 4.242 HB2 :: 1.960 HB3 :: 2.212 HG2 :: 2.079 HG3 :: 2.079 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 :: 119.662 Ave N Shift Values>> N :: 120.68(3.68) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 C 0.21 L 0.03 C Shift Assignments>> C :: 172.911 CA :: 51.499 CB :: 40.052 CG :: 24.626 CD1 :: 24.499 CD2 :: 20.335 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 :: 7.116 HA :: 4.455 HB2 :: 1.229 HB3 :: 1.746 HG :: 1.761 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 HD21 :: 0.575 HD22 :: 0.575 HD23 :: 0.575 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 :: 118.300 Ave N Shift Values>> N :: 121.98(4.07) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 F 0.31 C Shift Assignments>> C :: 170.046 CA :: 52.594 CB :: 36.644 CD1 :: 131.646 CD2 :: 131.646 CE1 :: 128.556 CE2 :: 128.556 CZ :: 129.107 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 :: 6.285 HA :: 4.595 HB2 :: 2.600 HB3 :: 3.578 HD1 :: 7.495 HD2 :: 7.495 HE1 :: 7.133 HE2 :: 7.133 HZ :: 6.917 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 :: 114.699 Ave N Shift Values>> N :: 120.69(4.18) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.26 K 0.22 E 0.1 R 0.03 M 0.03 C Shift Assignments>> C :: 176.902 CA :: 53.050 CB :: 28.535 CG :: 34.585 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 :: 9.016 HA :: 4.388 HB2 :: 2.172 HB3 :: 1.814 HG2 :: 2.294 HG3 :: 2.432 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 :: 120.724 Ave N Shift Values>> N :: 120.68(3.68) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.23 I 0.04 C 0.02 C Shift Assignments>> C :: 177.623 CA :: 55.105 CB :: 16.632 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.075 HA :: 3.994 HB1 :: 1.186 HB2 :: 1.186 HB3 :: 1.186 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.932 Ave N Shift Values>> N :: 123.23(3.7) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 F 0.15 C Shift Assignments>> C :: 175.577 CA :: 60.206 CB :: 35.797 CD1 :: 129.308 CD2 :: 129.308 CE1 :: 129.299 CE2 :: 129.299 CZ :: 128.186 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 :: 8.925 HA :: 4.181 HB2 :: 3.123 HB3 :: 3.173 HD1 :: 7.447 HD2 :: 7.447 HE1 :: 7.308 HE2 :: 7.308 HZ :: 7.196 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 :: 113.627 Ave N Shift Values>> N :: 120.69(4.18) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 N 0.17 F 0.16 E 0.14 D 0.07 I 0.04 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 174.326 CA :: 55.834 CB :: 37.861 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 :: 8.456 HA :: 4.308 HB2 :: 2.771 HB3 :: 3.055 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.378 Ave N Shift Values>> N :: 120.73(4.2) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 C 0.22 L 0.04 C Shift Assignments>> C :: 175.506 CA :: 53.402 CB :: 41.387 CG :: 25.444 CD1 :: 19.830 CD2 :: 24.422 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 :: 6.743 HA :: 4.344 HB2 :: 1.912 HB3 :: 1.116 HG :: 1.534 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 112.941 Ave N Shift Values>> N :: 121.98(4.07) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 F 0.3 C Shift Assignments>> C :: 173.053 CA :: 60.488 CB :: 37.808 CD1 :: 129.461 CD2 :: 129.461 CE1 :: 129.209 CE2 :: 129.209 CZ :: 127.051 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 :: 8.501 HA :: 4.125 HB2 :: 2.886 HB3 :: 2.413 HD1 :: 7.173 HD2 :: 7.173 HE1 :: 7.356 HE2 :: 7.356 HZ :: 7.149 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 :: 116.934 Ave N Shift Values>> N :: 120.69(4.18) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.26 C 0.15 L 0.04 F 0.03 C Shift Assignments>> C :: 172.908 CA :: 50.985 CB :: 39.693 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.822 HA :: 4.830 HB2 :: 2.560 HB3 :: 2.834 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 :: 114.464 Ave N Shift Values>> N :: 120.73(4.2) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 V 0.04 C Shift Assignments>> C :: 173.348 CA :: 60.335 CB :: 27.443 CG1 :: 22.368 CG2 :: 18.254 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.391 HA :: 3.352 HB :: 2.268 HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 HG21 :: 0.512 HG22 :: 0.512 HG23 :: 0.512 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 :: 116.692 Ave N Shift Values>> N :: 121.02(4.96) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.27 L 0.22 R 0.07 C Shift Assignments>> C :: 175.018 CA :: 55.623 CB :: 28.847 CG :: 24.946 CD :: 41.258 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 :: 7.300 HA :: 4.114 HB2 :: 1.707 HB3 :: 1.843 HG2 :: 1.569 HG3 :: 1.638 HD2 :: 3.108 HD3 :: 3.108 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.024 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.27 D 0.05 M 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 172.437 CA :: 51.393 CB :: 37.167 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 :: 8.063 HA :: 4.538 HB2 :: 2.735 HB3 :: 2.439 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.685 Ave N Shift Values>> N :: 120.73(4.2) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 175.123 CA :: 58.267 CB :: 36.599 CD1 :: 129.183 CD2 :: 129.183 CE1 :: 127.842 CE2 :: 127.842 CZ :: 124.983 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 :: 9.270 HA :: 4.017 HB2 :: 2.837 HB3 :: 2.894 HD1 :: 6.908 HD2 :: 6.908 HE1 :: 6.849 HE2 :: 6.849 HZ :: 6.597 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 :: 124.203 Ave N Shift Values>> N :: 120.69(4.18) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.514 CA :: 45.012 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.771 HA2 :: 3.516 HA3 :: 3.899 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.309 Ave N Shift Values>> N :: 109.91(4.29) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 K 0.11 R 0.05 L 0.02 M 0.02 A 0.01 C Shift Assignments>> C :: 177.004 CA :: 56.546 CB :: 30.433 CG :: 23.390 CD :: 27.084 CE :: 39.772 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 :: 7.373 HA :: 3.941 HB2 :: 1.773 HB3 :: 1.773 HG2 :: 1.326 HG3 :: 1.473 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.914 HE3 :: 2.914 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.771 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.062 CA :: 62.664 CB :: 27.252 CG1 :: 17.166 CG2 :: 18.071 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 :: 6.857 HA :: 3.131 HB :: 1.498 HG11 :: 0.167 HG12 :: 0.167 HG13 :: 0.167 HG21 :: -0.155(S) HG22 :: -0.155(S) HG23 :: -0.155(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.564 Ave N Shift Values>> N :: 121.02(4.96) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.3 C Shift Assignments>> C :: 175.454 CA :: 62.485 CB :: 34.381 CG1 :: 25.845 CG2 :: 15.433 CD1 :: 10.683 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 :: 7.196 HA :: 3.301 HB :: 1.834 HG12 :: 0.996 HG13 :: 0.633 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 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 :: 118.154 Ave N Shift Values>> N :: 121.6(4.72) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.19 R 0.14 E 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 176.900 CA :: 57.095 CB :: 26.741 CG :: 33.593 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 :: 7.813 HA :: 3.835 HB2 :: 1.924 HB3 :: 1.967 HG2 :: 2.194 HG3 :: 2.194 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 :: 118.404 Ave N Shift Values>> N :: 120.68(3.68) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.08 S 0.01 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> C :: 173.786 CA :: 66.097 CB :: 65.982 CG2 :: 20.136 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 :: 8.157 HA :: 4.560 HB :: 3.847 HG21 :: 1.343 HG22 :: 1.343 HG23 :: 1.343 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 :: 117.979 Ave N Shift Values>> N :: 115.7(5.05) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 A 0.24 L 0.02 V 0.01 C Shift Assignments>> C :: 174.527 CA :: 55.658 CB :: 37.519 CG :: 25.159 CD1 :: 23.323 CD2 :: 20.909 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 :: 8.282 HA :: 4.047 HB2 :: 1.519 HB3 :: 2.134 HG :: 1.988 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 120.805 Ave N Shift Values>> N :: 121.98(4.07) 1.S120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 176.681 CA :: 57.421 CB :: 60.088 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.282 HA :: 2.421(S) HB2 :: 3.571 HB3 :: 3.027 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 :: 115.205 Ave N Shift Values>> N :: 116.3(3.95) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.3 K 0.29 R 0.08 C Shift Assignments>> C :: 177.474 CA :: 57.371 CB :: 27.582 CG :: 26.510 CD :: 41.176 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 :: 7.900 HA :: 3.670 HB2 :: 1.840 HB3 :: 1.652 HG2 :: 1.497 HG3 :: 1.713 HD2 :: 2.966 HD3 :: 3.188 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.659 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.4 L 0.04 C Shift Assignments>> C :: 177.282 CA :: 55.306 CB :: 39.310 CG :: 25.460 CD1 :: 20.260 CD2 :: 25.338 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 :: 8.689 HA :: 4.294 HB2 :: 2.138 HB3 :: 1.385 HG :: 1.424 HD11 :: 0.507 HD12 :: 0.507 HD13 :: 0.507 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 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 :: 124.020 Ave N Shift Values>> N :: 121.98(4.07) 1.S123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 170.328 CA :: 58.921 CB :: 59.830 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.886 HA :: 3.954 HB2 :: 2.375(S) HB3 :: 3.193 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 :: 116.606 Ave N Shift Values>> N :: 116.3(3.95) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 L 0.29 C 0.27 R 0.09 C Shift Assignments>> C :: 173.850 CA :: 52.854 CB :: 28.590 CG :: 26.090 CD :: 41.176 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 :: 6.876 HA :: 4.411 HB2 :: 1.849 HB3 :: 1.549 HG2 :: 1.440 HG3 :: 1.544 HD2 :: 2.981 HD3 :: 2.924 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 :: 116.045 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.24 S 0.06 A 0.02 C Shift Assignments>> C :: 171.253 CA :: 58.631 CB :: 67.763 CG2 :: 21.205 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 :: 7.712 HA :: 4.519 HB :: 4.798 HG21 :: 1.727 HG22 :: 1.727 HG23 :: 1.727 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 :: 112.722 Ave N Shift Values>> N :: 115.7(5.05) 1.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 G 0.25 P 0.24 C Shift Assignments>> C :: 177.861 CA :: 63.900 CB :: 29.820 CG :: 25.536 CD :: 47.909 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 :: 4.120 HB2 :: 1.884 HB3 :: 2.318 HG2 :: 2.166 HG3 :: 2.023 HD2 :: 3.868 HD3 :: 4.078 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.K65 1.K65 C Shift Assignments>> C :: 176.036 CA :: 63.056 CB :: 35.494 CG1 :: 27.750 CG2 :: 16.751 CD1 :: 11.335 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 :: 8.053 HA :: 3.633 HB :: 1.551 HG12 :: 1.546 HG13 :: 0.789 HG21 :: 0.616 HG22 :: 0.616 HG23 :: 0.616 HD11 :: 0.279 HD12 :: 0.279 HD13 :: 0.279 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 :: 115.050 Ave N Shift Values>> N :: 121.6(4.72) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.48 C 0.01 I 0.01 C Shift Assignments>> C :: 178.398 CA :: 53.684 CB :: 17.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.442 HA :: 4.202 HB1 :: 1.714 HB2 :: 1.714 HB3 :: 1.714 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.887 Ave N Shift Values>> N :: 123.23(3.7) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.38 L 0.03 C Shift Assignments>> C :: 179.167 CA :: 55.165 CB :: 39.303 CG :: 23.894 CD1 :: 23.784 CD2 :: 20.689 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 :: 9.036 HA :: 4.097 HB2 :: 1.376 HB3 :: 1.778 HG :: 1.761 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 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 :: 117.340 Ave N Shift Values>> N :: 121.98(4.07) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.45 C 0.01 C Shift Assignments>> C :: 176.274 CA :: 51.781 CB :: 15.695 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.779 HA :: 4.162 HB1 :: 1.495 HB2 :: 1.495 HB3 :: 1.495 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.899 Ave N Shift Values>> N :: 123.23(3.7) 1.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 174.688 CA :: 61.721 CB :: 68.988 CG2 :: 19.641 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 :: 7.545 HA :: 4.205 HB :: 4.313 HG21 :: 1.612 HG22 :: 1.612 HG23 :: 1.612 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 :: 107.623 Ave N Shift Values>> N :: 115.7(5.05) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.29 K 0.08 C 0.07 D 0.06 F 0.05 G 0.04 I 0.01 C Shift Assignments>> C :: 171.547 CA :: 43.003 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.674 HA2 :: 3.630 HA3 :: 4.216 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.240 Ave N Shift Values>> N :: 109.91(4.29) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.39 C Shift Assignments>> C :: 175.099 CA :: 59.560 CB :: 35.568 CG1 :: 26.636 CG2 :: 16.511 CD1 :: 11.396 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 :: 8.032 HA :: 3.728 HB :: 1.651 HG12 :: 1.346 HG13 :: 0.755 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 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 :: 124.006 Ave N Shift Values>> N :: 121.6(4.72) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 K 0.21 C 0.19 C Shift Assignments>> C :: 171.374 CA :: 52.662 CB :: 27.152 CG :: 24.770 CD :: 41.044 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 :: 8.674 HA :: 4.271 HB2 :: 1.794 HB3 :: 1.859 HG2 :: 1.772 HG3 :: 1.772 HD2 :: 3.173 HD3 :: 3.173 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 :: 132.524 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 G 0.12 C Shift Assignments>> C :: 172.924 CA :: 59.959 CB :: 31.112 CG :: 24.204 CD :: 47.670 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 :: 4.220 HB2 :: 1.516 HB3 :: 2.075 HG2 :: 1.857 HG3 :: 1.593 HD2 :: 3.537 HD3 :: 3.537 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 F 0.28 C Shift Assignments>> C :: 169.845 CA :: 51.745 CB :: 40.021 CD1 :: 129.460 CD2 :: 129.460 CE1 :: 130.449 CE2 :: 130.449 CZ :: 126.417 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 :: 7.918 HA :: 4.761 HB2 :: 2.517 HB3 :: 2.895 HD1 :: 6.293 HD2 :: 6.293 HE1 :: 6.556 HE2 :: 6.556 HZ :: 7.042 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 :: 115.754 Ave N Shift Values>> N :: 120.69(4.18) 1.P137 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.85 G 0.13 C Shift Assignments>> C :: 173.716 CA :: 60.367 CB :: 32.913 CG :: 22.314(S) CD :: 47.628 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 :: 4.764 HB2 :: 2.187 HB3 :: 2.187 HG2 :: 1.764 HG3 :: 1.672 HD2 :: 2.859 HD3 :: 3.157 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.224 CA :: 56.088 CB :: 62.020 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.895 HA :: 4.380 HB2 :: 3.803 HB3 :: 3.803 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 :: 115.968 Ave N Shift Values>> N :: 116.3(3.95) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.31 K 0.2 R 0.14 D 0.11 F 0.08 C 0.07 I 0.02 N 0.01 G 0.01 C Shift Assignments>> CA :: 42.259 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.976 HA3 :: 4.073 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 G 0.22 C Shift Assignments>> CA :: 60.903 CB :: 29.867 CG :: 24.784 CD :: 47.399 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 :: 4.356 HB2 :: 2.182 HB3 :: 1.864 HG2 :: 1.900 HG3 :: 1.900 HD2 :: 3.505 HD3 :: 3.505 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.515 CA :: 56.011 CB :: 61.691 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.375 HB2 :: 3.763 HB3 :: 3.763 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.27 G 0.19 C 0.09 D 0.03 F 0.03 K 0.02 C Shift Assignments>> C :: 176.544 CA :: 43.852 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.939 HA2 :: 3.688 HA3 :: 3.637 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.402 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 12 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 135 #Suspicious: 2 #Mistyped: 2 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 142 #Suspicious: 1 C Shift Results: #Consistent: 631 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 989 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 1 N Shift Results: #Consistent: 140 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K12 HG2 = -0.357(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.2484e-10 1.K12 HG3 = -0.434(S), Expected = 1.37, Std = 0.2900, ChiSquare = 4.9497e-10 1.C14 HA = 2.172(S), Expected = 4.73, Std = 0.5700, ChiSquare = 7.1990e-06 1.K22 Typing: Mistyped 1.K22 CB = 25.889(S), Expected = 32.83, Std = 1.8800, ChiSquare = 2.2248e-04 1.L24 CA = 48.156(S), Expected = 55.65, Std = 2.2100, ChiSquare = 6.9651e-04 1.R29 HA = 1.455(A), Expected = 4.27, Std = 0.4400, ChiSquare = 1.5771e-10 1.R29 HB2 = 0.418(S), Expected = 1.79, Std = 0.2800, ChiSquare = 9.5837e-07 1.R29 HB3 = 0.507(S), Expected = 1.78, Std = 0.2800, ChiSquare = 5.4564e-06 1.R29 HG2 = 0.569(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.8079e-04 1.R29 HG3 = 0.569(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.8079e-04 1.R29 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.V37 HA = 1.890(S), Expected = 4.16, Std = 0.5700, ChiSquare = 6.8207e-05 1.V37 HB = 0.559(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.4486e-05 1.A41 HB1 = 0.181(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.6187e-06 1.A41 HB2 = 0.181(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.6187e-06 1.A41 HB3 = 0.181(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.6187e-06 1.L50 Typing: Suspicious 1.L50 HB3 = 0.155(S), Expected = 1.57, Std = 0.3600, ChiSquare = 8.4750e-05 1.L54 Typing: Suspicious 1.F85 CE2 = 126.829(S), Expected = 130.60, Std = 0.9700, ChiSquare = 1.0123e-04 1.M95 HG2 = 1.176(S), Expected = 2.44, Std = 0.3600, ChiSquare = 4.4624e-04 1.V115 HG21 = -0.155(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.8241e-04 1.V115 HG22 = -0.155(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.8241e-04 1.V115 HG23 = -0.155(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.8241e-04 1.S120 HA = 2.421(S), Expected = 4.51, Std = 0.4300, ChiSquare = 1.1849e-06 1.S123 HB2 = 2.375(S), Expected = 3.88, Std = 0.2900, ChiSquare = 2.1068e-07 1.P137 Typing: Mistyped 1.P137 CG = 22.314(S), Expected = 27.14, Std = 1.1800, ChiSquare = 4.3169e-05