Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 55.801 CB :: 61.680 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.539 HB2 :: 3.793 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.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.189 CA :: 56.083 CB :: 62.089 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.527 HA :: 4.442 HB2 :: 4.069 HB3 :: 3.908 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 :: 118.293 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.911 CA :: 44.946 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.808 HA2 :: 3.742 HA3 :: 3.819 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.255 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.17 K 0.13 E 0.09 Q 0.07 R 0.02 M 0.01 C Shift Assignments>> C :: 176.010 CA :: 59.192 CB :: 26.340 CG :: 35.339 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.101 HA :: 3.690 HB2 :: 1.638 HB3 :: 2.021 HG2 :: 2.194 HG3 :: 2.361 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 :: 120.566 Ave N Shift Values>> N :: 120.68(3.68) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.17 K 0.16 E 0.16 I 0.06 R 0.03 C Shift Assignments>> C :: 176.541 CA :: 57.634 CB :: 27.225 CG :: 35.046 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 :: 8.205 HA :: 3.794 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 2.172 HG3 :: 2.222 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 :: 118.216 Ave N Shift Values>> N :: 120.68(3.68) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.3 K 0.29 M 0.03 Q 0.01 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 176.982 CA :: 56.775 CB :: 25.758 CG :: 31.295 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 :: 8.029 HA :: 3.941 HB2 :: 2.133 HB3 :: 1.965 HG2 :: 2.075 HG3 :: 2.313 HE21 :: 6.981 HE22 :: 6.501 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 :: 119.172 NE2 :: 110.252 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 V 0.01 HN Overlap>> 1.Q10 1.Q10 C Shift Assignments>> C :: 175.387 CA :: 60.046 CB :: 32.980 CG1 :: 25.188 CG2 :: 16.755 CD1 :: 8.023 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 :: 8.056 HA :: 4.083 HB :: 2.209 HG12 :: 1.222 HG13 :: 1.690 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 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 :: 119.118 Ave N Shift Values>> N :: 121.6(4.72) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 174.716 CA :: 66.278 CB :: 29.551 CG1 :: 19.939 CG2 :: 21.980 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 :: 8.428 HA :: 3.367 HB :: 2.227 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 120.855 Ave N Shift Values>> N :: 121.02(4.96) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.07 S 0.02 C Shift Assignments>> C :: 174.500 CA :: 64.462 CB :: 66.659 CG2 :: 19.549 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 :: 8.092 HA :: 3.727 HB :: 4.155 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 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 :: 112.897 Ave N Shift Values>> N :: 115.7(5.05) 1.W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 W 0.03 C Shift Assignments>> C :: 175.538 CA :: 57.187 CB :: 26.177 CD1 :: 124.931 CE3 :: 117.636 CZ2 :: 111.790 CZ3 :: 118.729 CH2 :: 121.053 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 :: 8.171 HA :: 4.544 HB2 :: 3.561 HB3 :: 3.157 HD1 :: 7.214 HE1 :: 10.523 HE3 :: 7.446 HZ2 :: 7.271 HZ3 :: 6.740 HH2 :: 6.811 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 :: 124.285 NE1 :: 132.935 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 A 0.17 L 0.1 C Shift Assignments>> C :: 177.433 CA :: 55.707 CB :: 39.468 CG :: 23.999 CD1 :: 24.596 CD2 :: 21.629 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 :: 8.626 HA :: 3.292 HB2 :: 1.859 HB3 :: 0.918 HG :: 2.053 HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 HD21 :: 0.114 HD22 :: 0.114 HD23 :: 0.114 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 :: 117.542 Ave N Shift Values>> N :: 121.98(4.07) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 HN Overlap>> 1.A68 1.F34 1.A68 1.F34 1.K36 1.K36 C Shift Assignments>> C :: 178.894 CA :: 62.474 CB :: 35.980 CG1 :: 26.692 CG2 :: 14.709 CD1 :: 12.545 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 :: 8.169 HA :: 4.105 HB :: 1.762 HG12 :: 1.778 HG13 :: 0.771 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 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 :: 118.851 Ave N Shift Values>> N :: 121.6(4.72) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.012 CA :: 59.532 CB :: 60.355 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.496 HA :: 4.177 HB2 :: 4.029 HB3 :: 4.080 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.547 Ave N Shift Values>> N :: 116.3(3.95) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 C 0.19 L 0.03 G 0.01 C Shift Assignments>> C :: 175.476 CA :: 52.873 CB :: 41.832 CG :: 24.308 CD1 :: 23.388 CD2 :: 19.943 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 :: 7.596 HA :: 4.137 HB2 :: 1.397 HB3 :: 1.190 HG :: 1.361 HD11 :: -0.091 HD12 :: -0.091 HD13 :: -0.091 HD21 :: 0.610 HD22 :: 0.610 HD23 :: 0.610 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 :: 119.487 Ave N Shift Values>> N :: 121.98(4.07) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.627 CA :: 43.170 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.895 HA2 :: 4.028 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.959 Ave N Shift Values>> N :: 109.91(4.29) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.1 V 0.03 A 0.02 C Shift Assignments>> C :: 170.205 CA :: 59.008 CB :: 28.943 CG1 :: 19.360 CG2 :: 17.908 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 :: 7.004 HA :: 4.150 HB :: 2.200 HG11 :: 0.532 HG12 :: 0.532 HG13 :: 0.532 HG21 :: 0.521 HG22 :: 0.521 HG23 :: 0.521 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 :: 108.462 Ave N Shift Values>> N :: 121.02(4.96) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 A 0.12 C 0.04 L 0.01 C Shift Assignments>> C :: 172.251 CA :: 50.544 CB :: 44.989 CG :: 24.423 CD1 :: 21.862 CD2 :: 23.905 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 :: 6.655 HA :: 4.418 HB2 :: 1.313 HB3 :: 0.931 HG :: 1.592 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 120.508 Ave N Shift Values>> N :: 121.98(4.07) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.29 K 0.24 E 0.06 R 0.06 M 0.03 C Shift Assignments>> C :: 173.606 CA :: 53.635 CB :: 28.175 CG :: 34.047 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 :: 8.384 HA :: 4.125 HB2 :: 1.847 HB3 :: 1.797 HG2 :: 2.150 HG3 :: 2.150 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 :: 124.550 Ave N Shift Values>> N :: 120.68(3.68) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.73 C 0.25 P 0.01 C Shift Assignments>> C :: 171.427 CA :: 54.157 CB :: 60.946 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.517 HA :: 4.352 HB2 :: 3.715 HB3 :: 3.715 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.975 Ave N Shift Values>> N :: 116.3(3.95) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 G 0.06 P 0.01 C Shift Assignments>> CA :: 60.379 CB :: 29.642 CG :: 24.678 CD :: 48.301 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 :: 4.386 HB2 :: 1.875 HB3 :: 2.007 HG2 :: 1.685 HG3 :: 1.491 HD2 :: 3.625 HD3 :: 3.571 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.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.68 L 0.11 A 0.11 R 0.04 K 0.02 C Shift Assignments>> C :: 173.969 CA :: 54.583 CB :: 29.728 CG :: 22.728 CD :: 26.515 CE :: 39.848 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>> HA :: 4.004 HB2 :: 1.787 HB3 :: 1.643 HG2 :: 1.380 HG3 :: 1.306 HD2 :: 1.546 HE2 :: 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) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 A 0.43 M 0.02 C Shift Assignments>> C :: 173.195 CA :: 52.525 CB :: 31.833 CG :: 21.770 CD :: 26.753 CE :: 39.530 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 :: 7.423 HA :: 4.322 HB2 :: 1.566 HB3 :: 1.705 HG2 :: 1.188 HG3 :: 1.188 HD2 :: 1.540 HD3 :: 1.540 HE2 :: 2.831 HE3 :: 2.831 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.786 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 S 0.16 C 0.16 HN Overlap>> 1.L45 1.S38 1.L45 1.S38 C Shift Assignments>> C :: 171.820 CA :: 61.011 CB :: 67.106 CG2 :: 19.534 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 :: 7.983 HA :: 3.782 HB :: 3.785 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 116.259 Ave N Shift Values>> N :: 115.7(5.05) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 I 0.07 C Shift Assignments>> C :: 173.443 CA :: 58.303 CB :: 35.428 CG1 :: 24.614 CG2 :: 15.154 CD1 :: 10.350 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 :: 8.404 HA :: 3.781 HB :: 1.552 HG12 :: 0.472 HG13 :: 1.066 HG21 :: 0.452 HG22 :: 0.452 HG23 :: 0.452 HD11 :: 0.157 HD12 :: 0.157 HD13 :: 0.157 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 :: 126.279 Ave N Shift Values>> N :: 121.6(4.72) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.25 L 0.2 R 0.19 C 0.14 Q 0.06 I 0.06 W 0.03 E 0.01 M 0.01 C Shift Assignments>> CA :: 57.165 CB :: 25.698 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.323 HB2 :: 2.786 HB3 :: 2.786 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) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.42 C 0.24 G 0.14 D 0.13 F 0.01 Y 0.01 L 0.01 C Shift Assignments>> CA :: 48.728 CB :: 39.302 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 :: 4.940 HB2 :: 2.824 HB3 :: 2.429 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.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.66 P 0.24 G 0.09 C Shift Assignments>> C :: 175.080 CA :: 62.987 CB :: 29.568 CG :: 25.087 CD :: 48.401 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 :: 4.085 HB2 :: 2.131 HB3 :: 1.724 HG2 :: 1.920 HG3 :: 2.059 HD2 :: 3.488 HD3 :: 3.914 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.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.18 E 0.08 R 0.08 I 0.04 C Shift Assignments>> C :: 174.891 CA :: 58.314 CB :: 27.105 CG :: 34.172 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 :: 8.100 HA :: 3.619 HB2 :: 2.044 HB3 :: 1.985 HG2 :: 1.709 HG3 :: 1.966 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 :: 118.558 Ave N Shift Values>> N :: 120.68(3.68) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.2 R 0.14 E 0.04 M 0.01 C Shift Assignments>> C :: 176.698 CA :: 56.569 CB :: 26.934 CG :: 33.579 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 :: 7.486 HA :: 3.666 HB2 :: 1.892 HB3 :: 1.860 HG2 :: 2.191 HG3 :: 2.140 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 :: 119.099 Ave N Shift Values>> N :: 120.68(3.68) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 F 0.17 HN Overlap>> 1.A68 1.A68 1.I16 1.K36 1.I16 1.K36 C Shift Assignments>> C :: 176.600 CA :: 58.450 CB :: 37.525 CD1 :: 129.019 CD2 :: 129.019 CE1 :: 129.031 CE2 :: 129.031 CZ :: 127.566 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 :: 8.114 HA :: 4.219 HB2 :: 3.226 HB3 :: 2.803 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 7.153 HE2 :: 7.153 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 :: 118.816 Ave N Shift Values>> N :: 120.69(4.18) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 A 0.24 L 0.14 C Shift Assignments>> C :: 175.411 CA :: 55.546 CB :: 40.256 CG :: 24.348 CD1 :: 23.321 CD2 :: 21.250 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 :: 8.357 HA :: 3.566 HB2 :: 1.897 HB3 :: 1.290 HG :: 1.825 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.895 Ave N Shift Values>> N :: 121.98(4.07) 1.K36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 K 0.04 M 0.01 R 0.01 L 0.01 HN Overlap>> 1.A68 1.F34 1.I16 1.A68 1.F34 1.I16 C Shift Assignments>> C :: 176.837 CA :: 58.531 CB :: 30.043 CG :: 23.038 CD :: 27.368 CE :: 39.366 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 :: 8.100 HA :: 3.178 HB2 :: 1.275 HB3 :: 1.350 HG2 :: 0.615 HG3 :: 0.403(S) HD2 :: 1.248 HD3 :: 1.205 HE2 :: 2.451 HE3 :: 2.522 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 :: 118.893 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.488 CA :: 58.455 CB :: 60.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.686 HA :: 4.014 HB2 :: 3.744 HB3 :: 3.744 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 :: 110.328 Ave N Shift Values>> N :: 116.3(3.95) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T27 1.T27 C Shift Assignments>> C :: 173.353 CA :: 59.254 CB :: 60.723 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.040 HA :: 3.992 HB2 :: 3.327 HB3 :: 3.327 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 :: 116.321 Ave N Shift Values>> N :: 116.3(3.95) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 C 0.17 L 0.01 C Shift Assignments>> C :: 175.369 CA :: 52.029 CB :: 40.694 CG :: 24.152 CD1 :: 23.726 CD2 :: 19.487 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 :: 7.857 HA :: 4.455 HB2 :: 1.726 HB3 :: 1.315 HG :: 1.838 HD11 :: 0.584 HD12 :: 0.584 HD13 :: 0.584 HD21 :: 0.449 HD22 :: 0.449 HD23 :: 0.449 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 :: 116.023 Ave N Shift Values>> N :: 121.98(4.07) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 K 0.05 M 0.03 R 0.02 C Shift Assignments>> C :: 171.201 CA :: 58.973 CB :: 31.243 CG :: 22.534 CD :: 27.427 CE :: 39.529 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 :: 6.677 HA :: 3.492 HB2 :: 2.065 HB3 :: 1.621 HG2 :: 1.290 HG3 :: 1.151 HD2 :: 1.377 HD3 :: 1.454 HE2 :: 2.416 HE3 :: 2.587 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 :: 120.836 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.4 P 0.04 M 0.03 Y 0.01 D 0.01 G 0.01 E 0.01 F 0.01 C Shift Assignments>> C :: 174.886 CA :: 49.705 CB :: 36.540 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 :: 7.951 HA :: 4.590 HB2 :: 3.668 HB3 :: 2.833 HD21 :: 7.197 HD22 :: 7.869 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 :: 107.793 ND2 :: 111.376 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 171.499 CA :: 45.644 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.715 HA2 :: 4.143 HA3 :: 3.428 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.286 Ave N Shift Values>> N :: 109.91(4.29) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.16 C Shift Assignments>> C :: 175.106 CA :: 65.534 CB :: 29.345 CG1 :: 21.218 CG2 :: 19.119 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 :: 7.795 HA :: 3.312 HB :: 2.182 HG11 :: 1.026 HG12 :: 1.026 HG13 :: 1.026 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 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 :: 121.525 Ave N Shift Values>> N :: 121.02(4.96) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 I 0.01 C Shift Assignments>> C :: 175.221 CA :: 64.470 CB :: 28.922 CG1 :: 19.062 CG2 :: 20.896 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 :: 8.603 HA :: 3.232 HB :: 1.771 HG11 :: 0.475 HG12 :: 0.475 HG13 :: 0.475 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 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 :: 118.141 Ave N Shift Values>> N :: 121.02(4.96) 1.L45 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 A 0.42 V 0.01 HN Overlap>> 1.T27 1.T27 C Shift Assignments>> C :: 176.094 CA :: 55.062 CB :: 36.371 CG :: 23.324 CD1 :: 23.949 CD2 :: 19.916 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 :: 7.978 HA :: 3.452 HB2 :: 1.189 HB3 :: 0.271(S) HG :: 1.524 HD11 :: 0.454 HD12 :: 0.454 HD13 :: 0.454 HD21 :: 0.043 HD22 :: 0.043 HD23 :: 0.043 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 :: 116.147 Ave N Shift Values>> N :: 121.98(4.07) 1.C46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.47 T 0.38 I 0.07 C 0.04 C Shift Assignments>> C :: 174.121 CA :: 63.365 CB :: 22.933 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.400 HA :: 3.815 HB2 :: 1.864 HB3 :: 0.620(S) 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 :: 118.110 Ave N Shift Values>> N :: 119.95(4.79) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 K 0.16 R 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.697 CA :: 57.682 CB :: 30.080 CG :: 24.034 CD :: 28.072 CE :: 39.682 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 :: 7.971 HA :: 3.802 HB2 :: 1.863 HB3 :: 1.597 HG2 :: 1.400 HG3 :: 1.685 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.781 HE3 :: 2.880 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.759 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 A 0.25 L 0.07 C Shift Assignments>> C :: 175.584 CA :: 55.797 CB :: 39.616 CG :: 24.871 CD1 :: 20.848 CD2 :: 23.127 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 :: 8.753 HA :: 3.653 HB2 :: 2.221 HB3 :: 1.041 HG :: 1.138 HD11 :: 0.118 HD12 :: 0.118 HD13 :: 0.118 HD21 :: 0.616 HD22 :: 0.616 HD23 :: 0.616 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 :: 119.980 Ave N Shift Values>> N :: 121.98(4.07) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 C Shift Assignments>> C :: 173.966 CA :: 59.250 CB :: 36.397 CG1 :: 27.109 CG2 :: 17.943 CD1 :: 11.477 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 :: 8.197 HA :: 4.059 HB :: 1.865 HG12 :: 1.506 HG13 :: 1.201 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 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 :: 118.330 Ave N Shift Values>> N :: 121.6(4.72) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.32 M 0.07 E 0.06 Y 0.04 K 0.02 D 0.02 F 0.02 C Shift Assignments>> C :: 175.067 CA :: 52.252 CB :: 36.397 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 :: 7.281 HA :: 4.771 HB2 :: 2.675 HB3 :: 2.619 HD21 :: 7.022 HD22 :: 7.546 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.668 ND2 :: 109.364 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.36 K 0.11 C Shift Assignments>> C :: 175.670 CA :: 54.539 CB :: 26.917 CG :: 25.262 CD :: 39.853 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 :: 7.678 HA :: 4.118 HB2 :: 2.021 HB3 :: 1.761 HG2 :: 1.566 HG3 :: 1.424 HD2 :: 3.080 HD3 :: 3.267 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 :: 119.930 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.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 C 0.32 L 0.01 C Shift Assignments>> C :: 175.495 CA :: 54.321 CB :: 40.708 CG :: 23.941 CD1 :: 23.772 CD2 :: 19.371 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 :: 7.737 HA :: 4.163 HB2 :: 1.727 HB3 :: 1.493 HG :: 1.842 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 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 :: 117.204 Ave N Shift Values>> N :: 121.98(4.07) 1.M53 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.16 A 0.13 C Shift Assignments>> C :: 169.047(A) CA :: 50.466 CB :: 31.205 CG :: 29.232 CE :: 14.424 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 :: 8.479 HA :: 4.711 HB2 :: 1.952 HB3 :: 1.833 HG2 :: 2.212 HG3 :: 2.351 HE1 :: 1.893 HE2 :: 1.893 HE3 :: 1.893 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 :: 118.126 Ave N Shift Values>> N :: 120.1(3.88) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.71 G 0.24 P 0.03 C Shift Assignments>> C :: 175.805 CA :: 62.139 CB :: 29.303 CG :: 25.036 CD :: 47.642 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 :: 4.633 HB2 :: 2.208 HB3 :: 1.760 HG2 :: 1.933 HG3 :: 2.009 HD2 :: 3.517 HD3 :: 3.303 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.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 172.342 CA :: 42.690 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.523 HA2 :: 4.078 HA3 :: 3.577 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.099 Ave N Shift Values>> N :: 109.91(4.29) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.649 CA :: 60.175 CB :: 61.407 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.069 HA :: 4.012 HB2 :: 3.667 HB3 :: 3.822 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.276 Ave N Shift Values>> N :: 116.3(3.95) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 A 0.01 C Shift Assignments>> C :: 173.447 CA :: 59.143 CB :: 30.808 CG1 :: 20.744 CG2 :: 19.248 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 :: 8.811 HA :: 4.143 HB :: 1.805 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 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 :: 121.455 Ave N Shift Values>> N :: 121.02(4.96) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.26 K 0.24 E 0.11 R 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 174.018 CA :: 56.656 CB :: 28.144 CG :: 34.042 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 :: 8.776 HA :: 3.950 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 2.210 HG3 :: 2.084 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 :: 127.213 Ave N Shift Values>> N :: 120.68(3.68) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 A 0.34 M 0.03 R 0.02 K 0.02 HN Overlap>> 1.G121 1.G121 C Shift Assignments>> C :: 171.292 CA :: 53.098 CB :: 31.897 CG :: 21.964 CD :: 26.918 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 :: 7.879 HA :: 4.403 HB2 :: 1.675 HB3 :: 1.601 HG2 :: 1.223 HG3 :: 1.183 HD2 :: 1.524 HD3 :: 1.524 HE2 :: 2.831 HE3 :: 2.831 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.546 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 F 0.17 C Shift Assignments>> C :: 170.584 CA :: 53.553 CB :: 36.261 CD1 :: 130.352 CD2 :: 130.352 CE1 :: 128.710 CE2 :: 128.710 CZ :: 127.206 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 :: 7.641 HA :: 4.980 HB2 :: 3.199 HB3 :: 3.006 HD1 :: 6.751 HD2 :: 6.751 HE1 :: 7.079 HE2 :: 7.079 HZ :: 7.034 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.007 Ave N Shift Values>> N :: 120.69(4.18) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.33 C 0.12 R 0.06 M 0.04 I 0.02 Q 0.01 V 0.01 C Shift Assignments>> C :: 172.554 CA :: 56.558 CB :: 24.267 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.699 HA :: 4.337 HB2 :: 2.939 HB3 :: 2.693 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 :: 120.266 Ave N Shift Values>> N :: 119.95(4.79) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 A 0.23 L 0.21 C Shift Assignments>> C :: 173.461 CA :: 54.833 CB :: 40.012 CG :: 25.153 CD1 :: 22.293 CD2 :: 21.736 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 :: 8.264 HA :: 3.935 HB2 :: 1.412 HB3 :: 1.412 HG :: 1.285 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 HD21 :: 0.545 HD22 :: 0.545 HD23 :: 0.545 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 :: 128.980 Ave N Shift Values>> N :: 121.98(4.07) 1.D63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.26 G 0.12 D 0.08 Y 0.01 F 0.01 C Shift Assignments>> C :: 170.091(S) CA :: 48.795 CB :: 38.586 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 :: 7.691 HA :: 4.897 HB2 :: 2.207 HB3 :: 2.540 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 :: 114.749 Ave N Shift Values>> N :: 120.73(4.2) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.67 G 0.16 P 0.15 C Shift Assignments>> C :: 175.097 CA :: 61.639 CB :: 31.439 CG :: 26.562 CD :: 47.635 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 :: 4.443 HB2 :: 2.251 HB3 :: 1.990 HG2 :: 1.822 HG3 :: 2.308 HD2 :: 3.418 HD3 :: 3.492 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.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.24 R 0.23 M 0.14 Q 0.03 P 0.01 C Shift Assignments>> C :: 173.544 CA :: 53.093 CB :: 29.181 CG :: 31.034 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.688 HA :: 4.369 HB2 :: 2.297 HB3 :: 1.834 HG2 :: 2.344 HG3 :: 2.344 HE21 :: 6.567 HE22 :: 7.088 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 :: 122.773 NE2 :: 114.328 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.21 T 0.18 C Shift Assignments>> C :: 172.625 CA :: 56.582 CB :: 70.746 CG2 :: 19.341 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 :: 7.595 HA :: 4.657 HB :: 4.482 HG21 :: 1.127 HG22 :: 1.127 HG23 :: 1.127 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 :: 107.997 Ave N Shift Values>> N :: 115.7(5.05) 1.E67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 Q 0.24 K 0.23 R 0.13 E 0.05 M 0.01 I 0.01 C Shift Assignments>> C :: 175.216 CA :: 57.742 CB :: 27.465 CG :: 33.439 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 :: 8.888 HA :: 3.638 HB2 :: 2.050 HB3 :: 1.778 HG2 :: 1.727 HG3 :: 1.606(S) 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 :: 123.135 Ave N Shift Values>> N :: 120.68(3.68) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.37 C 0.01 HN Overlap>> 1.F34 1.I16 1.K36 1.F34 1.I16 1.K36 C Shift Assignments>> C :: 177.341 CA :: 52.913 CB :: 15.663 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.117 HA :: 3.806 HB1 :: 1.231 HB2 :: 1.231 HB3 :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.906 Ave N Shift Values>> N :: 123.23(3.7) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.15 F 0.13 C 0.13 Y 0.12 K 0.09 N 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 175.839 CA :: 55.328 CB :: 40.578 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 :: 7.629 HA :: 4.348 HB2 :: 2.822 HB3 :: 2.709 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 :: 116.634 Ave N Shift Values>> N :: 120.73(4.2) 1.C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.17 R 0.15 K 0.13 L 0.05 W 0.05 Q 0.03 P 0.03 E 0.01 V 0.01 C Shift Assignments>> C :: 174.647 CA :: 60.025 CB :: 25.911 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.324 HA :: 4.216 HB2 :: 3.201 HB3 :: 2.716 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 :: 117.238 Ave N Shift Values>> N :: 119.95(4.79) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 175.897 CA :: 60.843 CB :: 33.494 CG1 :: 25.430 CG2 :: 15.069 CD1 :: 7.759 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 :: 8.379 HA :: 3.449 HB :: 1.827 HG12 :: 1.090 HG13 :: 1.049 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 HD11 :: 0.387 HD12 :: 0.387 HD13 :: 0.387 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 :: 119.362 Ave N Shift Values>> N :: 121.6(4.72) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.2 E 0.12 Q 0.12 K 0.11 N 0.05 Y 0.02 W 0.01 R 0.01 C Shift Assignments>> C :: 175.382 CA :: 54.093 CB :: 35.053 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 :: 8.500 HA :: 4.418 HB2 :: 2.929 HB3 :: 2.929 HD21 :: 6.766 HD22 :: 7.659 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.131 ND2 :: 112.391 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 N 0.23 M 0.13 E 0.11 K 0.05 Y 0.04 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 174.947 CA :: 53.124 CB :: 35.924 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 :: 7.636 HA :: 4.369 HB2 :: 3.662 HB3 :: 2.709 HD21 :: 7.041 HD22 :: 8.250 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 :: 118.040 ND2 :: 106.013 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 175.552 CA :: 64.453 CB :: 36.526 CG1 :: 27.821 CG2 :: 16.550 CD1 :: 11.535 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 :: 8.426 HA :: 3.465 HB :: 1.888 HG12 :: 2.095 HG13 :: 0.750 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 HD11 :: 1.110 HD12 :: 1.110 HD13 :: 1.110 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 :: 119.881 Ave N Shift Values>> N :: 121.6(4.72) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 N 0.16 E 0.15 M 0.14 K 0.06 Y 0.05 Q 0.03 F 0.02 C Shift Assignments>> C :: 176.139 CA :: 53.952 CB :: 35.903 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.074 HA :: 4.482 HB2 :: 2.912 HB3 :: 2.617 HD21 :: 7.417 HD22 :: 6.833 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 :: 118.269 ND2 :: 111.354 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.19 E 0.14 F 0.12 N 0.11 D 0.05 I 0.03 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 177.082 CA :: 56.002 CB :: 37.679 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 :: 8.312 HA :: 4.520 HB2 :: 2.902 HB3 :: 2.528 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.983 Ave N Shift Values>> N :: 120.73(4.2) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 F 0.11 Y 0.1 W 0.05 C Shift Assignments>> C :: 174.421 CA :: 59.097 CB :: 35.837 CZ :: 127.080 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 :: 7.934 HA :: 3.989 HB2 :: 3.358 HB3 :: 2.956 HD1 :: 7.076 HD2 :: 6.948 HE1 :: 6.865 HZ :: 6.837 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 :: 121.781 Ave N Shift Values>> N :: 120.69(4.18) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.41 C Shift Assignments>> C :: 177.863 CA :: 55.667 CB :: 38.999 CG :: 24.184 CD1 :: 23.733 CD2 :: 18.819 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 :: 8.496 HA :: 3.343 HB2 :: 1.961 HB3 :: 1.082 HG :: 1.727 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 HD21 :: -0.048 HD22 :: -0.048 HD23 :: -0.048 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 :: 120.676 Ave N Shift Values>> N :: 121.98(4.07) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.06 R 0.06 L 0.06 M 0.01 A 0.01 HN Overlap>> 1.N111 1.N111 C Shift Assignments>> C :: 177.663 CA :: 57.332 CB :: 29.778 CG :: 22.933 CD :: 27.022 CE :: 39.891 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 :: 8.142 HA :: 3.880 HB2 :: 1.856 HB3 :: 1.856 HG2 :: 1.333 HG3 :: 1.514 HD2 :: 1.636 HD3 :: 1.636 HE2 :: 2.885 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 :: 120.544 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.792 CA :: 44.276 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.589 HA2 :: 3.854 HA3 :: 3.281 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.428 Ave N Shift Values>> N :: 109.91(4.29) 1.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 K 0.21 C 0.18 V 0.09 L 0.07 R 0.07 T 0.04 W 0.01 M 0.01 Q 0.01 P 0.01 C Shift Assignments>> C :: 174.153 CA :: 60.260 CB :: 24.608 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.650 HA :: 3.686 HB2 :: 2.485 HB3 :: 2.065 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 :: 117.839 Ave N Shift Values>> N :: 119.95(4.79) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 C 0.01 C Shift Assignments>> C :: 178.479 CA :: 52.938 CB :: 15.761 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.536 HA :: 4.025 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.421 Ave N Shift Values>> N :: 123.23(3.7) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.59 S 0.24 C 0.15 C Shift Assignments>> C :: 173.239 CA :: 62.164 CB :: 66.457 CG2 :: 19.441 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 :: 7.553 HA :: 3.996 HB :: 4.178 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 110.546 Ave N Shift Values>> N :: 115.7(5.05) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.21 L 0.05 C Shift Assignments>> C :: 173.692 CA :: 52.546 CB :: 40.800 CG :: 24.507 CD1 :: 24.447 CD2 :: 20.262 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 :: 7.418 HA :: 4.178 HB2 :: 1.773 HB3 :: 1.360 HG :: 1.519 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 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 :: 119.388 Ave N Shift Values>> N :: 121.98(4.07) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.29 M 0.17 R 0.04 A 0.02 V 0.02 C Shift Assignments>> C :: 172.601 CA :: 54.323 CB :: 23.477 CG :: 31.808 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 :: 7.806 HA :: 3.852 HB2 :: 2.139 HB3 :: 2.073 HG2 :: 2.138 HG3 :: 2.138 HE21 :: 6.695 HE22 :: 7.396 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 :: 112.923 NE2 :: 111.930 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 A 0.22 I 0.03 C Shift Assignments>> C :: 172.846 CA :: 56.444 CB :: 31.617 CG1 :: 19.466 CG2 :: 16.182 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 :: 6.875 HA :: 4.376 HB :: 2.024 HG11 :: 0.672 HG12 :: 0.672 HG13 :: 0.672 HG21 :: 0.535 HG22 :: 0.535 HG23 :: 0.535 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 :: 110.107 Ave N Shift Values>> N :: 121.02(4.96) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.28 K 0.22 R 0.1 E 0.05 M 0.02 C Shift Assignments>> C :: 174.696 CA :: 54.269 CB :: 27.499 CG :: 33.842 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 :: 8.396 HA :: 4.096 HB2 :: 1.867 HB3 :: 1.832 HG2 :: 2.227 HG3 :: 2.168 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.308 Ave N Shift Values>> N :: 120.68(3.68) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.24 A 0.01 C Shift Assignments>> C :: 171.603 CA :: 58.095 CB :: 37.714 CG1 :: 23.357 CG2 :: 16.278 CD1 :: 11.880 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 :: 8.004 HA :: 4.368 HB :: 1.728 HG12 :: 1.078 HG13 :: 1.151 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 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 :: 116.010 Ave N Shift Values>> N :: 121.6(4.72) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 F 0.18 Y 0.02 C Shift Assignments>> C :: 170.202 CA :: 52.071 CB :: 37.323 CD1 :: 132.136 CD2 :: 132.136 CE1 :: 128.474 CE2 :: 128.474 CZ :: 126.631 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 :: 6.110 HA :: 4.803 HB2 :: 3.676 HB3 :: 2.631 HD1 :: 7.505 HD2 :: 7.505 HE1 :: 7.134 HE2 :: 7.134 HZ :: 6.983 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 :: 114.080 Ave N Shift Values>> N :: 120.69(4.18) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.26 C 0.2 L 0.05 F 0.02 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.783 CA :: 49.560 CB :: 40.261 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 :: 8.960 HA :: 4.968 HB2 :: 2.494 HB3 :: 2.739 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 :: 120.914 Ave N Shift Values>> N :: 120.73(4.2) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.38 P 0.33 G 0.28 C Shift Assignments>> C :: 175.680 CA :: 64.758 CB :: 30.121 CG :: 25.552 CD :: 47.998 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 :: 4.272 HB2 :: 2.106 HB3 :: 2.064 HG2 :: 2.208 HG3 :: 1.982 HD2 :: 3.688 HD3 :: 3.814 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.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 C 0.18 Y 0.17 N 0.16 F 0.15 L 0.07 I 0.02 E 0.01 C Shift Assignments>> C :: 176.385 CA :: 55.334 CB :: 39.310 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 :: 8.840 HA :: 4.587 HB2 :: 2.602 HB3 :: 2.523 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 :: 115.636 Ave N Shift Values>> N :: 120.73(4.2) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.19 N 0.15 F 0.13 E 0.09 D 0.08 I 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 174.473 CA :: 55.679 CB :: 38.093 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 :: 8.357 HA :: 4.268 HB2 :: 2.904 HB3 :: 2.708 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 :: 120.624 Ave N Shift Values>> N :: 120.73(4.2) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 C 0.26 L 0.05 C Shift Assignments>> C :: 175.335 CA :: 53.517 CB :: 41.000 CG :: 25.403 CD1 :: 20.122 CD2 :: 24.967 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 :: 6.684 HA :: 4.285 HB2 :: 2.000 HB3 :: 1.277 HG :: 1.525 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 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 :: 113.579 Ave N Shift Values>> N :: 121.98(4.07) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.43 C Shift Assignments>> C :: 173.885 CA :: 60.703 CB :: 36.801 CD1 :: 131.125 CD2 :: 131.125 CE1 :: 115.501 CE2 :: 115.501 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.775 HA :: 3.966 HB2 :: 2.927 HB3 :: 2.844 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 6.836 HE2 :: 6.836 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.618 Ave N Shift Values>> N :: 120.79(4.69) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 173.435 CA :: 56.744 CB :: 61.128 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.966 HA :: 4.339 HB2 :: 3.937 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 :: 108.709 Ave N Shift Values>> N :: 116.3(3.95) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.279 CA :: 44.224 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.039 HA2 :: 3.833 HA3 :: 3.679 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.102 Ave N Shift Values>> N :: 109.91(4.29) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.3 I 0.05 C Shift Assignments>> C :: 174.052 CA :: 61.565 CB :: 30.283 CG1 :: 18.910 CG2 :: 18.910 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 :: 7.539 HA :: 3.871 HB :: 1.940 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 117.380 Ave N Shift Values>> N :: 121.02(4.96) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 P 0.33 N 0.13 M 0.07 K 0.01 Q 0.01 E 0.01 C Shift Assignments>> C :: 172.742 CA :: 49.941 CB :: 35.254 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 :: 8.039 HA :: 4.826 HB2 :: 2.848 HB3 :: 2.566 HD21 :: 6.824 HD22 :: 7.688 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.053 ND2 :: 112.495 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 F 0.05 Y 0.01 C Shift Assignments>> C :: 174.220 CA :: 59.341 CB :: 36.835 CD1 :: 130.076 CD2 :: 130.076 CE1 :: 127.623 CE2 :: 127.623 CZ :: 125.770 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 :: 8.486 HA :: 3.793 HB2 :: 2.992 HB3 :: 2.856 HD1 :: 7.121 HD2 :: 7.121 HE1 :: 6.920 HE2 :: 6.920 HZ :: 6.706 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 :: 121.814 Ave N Shift Values>> N :: 120.69(4.18) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.1 W 0.09 I 0.09 T 0.06 V 0.06 E 0.06 R 0.05 K 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.793 CA :: 59.602 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.651 HA :: 3.856 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.090 Ave N Shift Values>> N :: 116.3(3.95) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 K 0.06 R 0.03 L 0.02 M 0.02 A 0.01 C Shift Assignments>> C :: 176.260 CA :: 56.585 CB :: 30.390 CG :: 23.119 CD :: 26.915 CE :: 39.613 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 :: 7.185 HA :: 3.924 HB2 :: 1.870 HB3 :: 1.653 HG2 :: 1.329 HG3 :: 1.444 HD2 :: 1.606 HD3 :: 1.701 HE2 :: 2.896 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 :: 121.109 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.466 CA :: 61.911 CB :: 27.596 CG1 :: 17.293 CG2 :: 18.143 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 :: 6.564 HA :: 2.809 HB :: 1.227 HG11 :: 0.083 HG12 :: 0.083 HG13 :: 0.083 HG21 :: -0.216(S) HG22 :: -0.216(S) HG23 :: -0.216(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 :: 119.774 Ave N Shift Values>> N :: 121.02(4.96) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.09 L 0.04 C Shift Assignments>> C :: 175.889 CA :: 55.489 CB :: 38.485 CG :: 23.838 CD1 :: 22.516 CD2 :: 22.776 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 :: 7.526 HA :: 3.463 HB2 :: 1.443 HB3 :: 1.116 HG :: 1.296 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: 0.666 HD22 :: 0.666 HD23 :: 0.666 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 :: 117.997 Ave N Shift Values>> N :: 121.98(4.07) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 175.797 CA :: 60.049 CB :: 60.049 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.790 HA :: 3.836 HB2 :: 3.975 HB3 :: 3.835 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.214 Ave N Shift Values>> N :: 116.3(3.95) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.05 C Shift Assignments>> C :: 173.671 CA :: 65.939 CB :: 66.531 CG2 :: 19.697 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 :: 7.852 HA :: 4.020 HB :: 4.383 HG21 :: 1.369 HG22 :: 1.369 HG23 :: 1.369 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 :: 120.926 Ave N Shift Values>> N :: 115.7(5.05) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 A 0.19 L 0.03 C Shift Assignments>> C :: 176.350 CA :: 56.639 CB :: 38.823 CG :: 24.600 CD1 :: 23.838 CD2 :: 20.136 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 :: 8.341 HA :: 3.983 HB2 :: 1.963 HB3 :: 1.368 HG :: 1.884 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 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 :: 120.171 Ave N Shift Values>> N :: 121.98(4.07) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.29 L 0.06 C Shift Assignments>> C :: 176.924 CA :: 55.860 CB :: 39.127 CG :: 24.871 CD1 :: 23.456 CD2 :: 20.353 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 :: 8.701 HA :: 3.658 HB2 :: 1.729 HB3 :: 1.285 HG :: 1.466 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.462 Ave N Shift Values>> N :: 121.98(4.07) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.45 C 0.01 C Shift Assignments>> C :: 178.935 CA :: 52.795 CB :: 15.994 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.836 HA :: 4.080 HB1 :: 1.564 HB2 :: 1.564 HB3 :: 1.564 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.668 Ave N Shift Values>> N :: 123.23(3.7) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 175.894 CA :: 64.694 CB :: 29.426 CG1 :: 20.058 CG2 :: 22.119 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 :: 8.759 HA :: 3.425 HB :: 2.391 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 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 :: 121.244 Ave N Shift Values>> N :: 121.02(4.96) 1.N111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 E 0.21 M 0.15 K 0.08 N 0.07 Y 0.06 Q 0.05 F 0.02 I 0.01 HN Overlap>> 1.K79 1.K79 C Shift Assignments>> C :: 174.032 CA :: 55.082 CB :: 35.790 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 :: 8.066 HA :: 3.431 HB2 :: 2.199 HB3 :: 0.744(S) HD21 :: 4.186(S) HD22 :: 6.358 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 :: 120.570 ND2 :: 107.952 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 L 0.08 A 0.05 R 0.03 K 0.01 C Shift Assignments>> C :: 176.415 CA :: 56.409 CB :: 29.704 CG :: 22.284 CD :: 26.325 CE :: 39.665 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 :: 7.818 HA :: 3.811 HB2 :: 1.741 HG2 :: 1.340 HD2 :: 1.529 HE2 :: 2.820 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 :: 118.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.27 C 0.01 C Shift Assignments>> C :: 176.616 CA :: 51.694 CB :: 16.864 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.992 HA :: 4.158 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.700 Ave N Shift Values>> N :: 123.23(3.7) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.17 S 0.03 A 0.01 C Shift Assignments>> C :: 172.718 CA :: 59.407 CB :: 68.239 CG2 :: 19.891 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 :: 7.475 HA :: 4.446 HB :: 4.493 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 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 :: 104.807 Ave N Shift Values>> N :: 115.7(5.05) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.27 K 0.24 R 0.12 E 0.04 M 0.02 C Shift Assignments>> C :: 174.464 CA :: 55.047 CB :: 27.617 CG :: 33.548 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 :: 7.502 HA :: 4.257 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 2.142 HG3 :: 2.189 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.783 Ave N Shift Values>> N :: 120.68(3.68) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.402 CA :: 56.143 CB :: 61.581 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.274 HA :: 4.461 HB2 :: 3.822 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 :: 116.125 Ave N Shift Values>> N :: 116.3(3.95) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.17 R 0.16 D 0.09 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 169.532 CA :: 42.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.127 HA2 :: 4.010 HA3 :: 4.102 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.272 Ave N Shift Values>> N :: 109.91(4.29) 1.P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.78 G 0.2 C Shift Assignments>> CA :: 60.917 CB :: 29.843 CG :: 24.871 CD :: 47.510 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 :: 4.399 HB2 :: 2.208 HB3 :: 1.880 HG2 :: 1.931 HD2 :: 3.557 HD3 :: 3.557 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.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 56.017 CB :: 61.539 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.456 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 :: 116.119 Ave N Shift Values>> N :: 116.3(3.95) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 56.099 CB :: 61.704 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 G 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> CA :: 44.064 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.970 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.483 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 113 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 0 C Shift Results: #Consistent: 507 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 798 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 117 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K36 HG3 = 0.403(S), Expected = 1.37, Std = 0.2900, ChiSquare = 8.5458e-04 1.L45 Typing: Mistyped 1.L45 HB3 = 0.271(S), Expected = 1.57, Std = 0.3600, ChiSquare = 3.0817e-04 1.C46 HB3 = 0.620(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.5675e-07 1.M53 C = 169.047(A), Expected = 176.30, Std = 2.1300, ChiSquare = 6.6124e-04 1.D63 C = 170.091(S), Expected = 176.41, Std = 1.7700, ChiSquare = 3.5690e-04 1.E67 HG3 = 1.606(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.0120e-04 1.V103 HG21 = -0.216(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0988e-04 1.V103 HG22 = -0.216(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0988e-04 1.V103 HG23 = -0.216(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0988e-04 1.N111 HB3 = 0.744(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.1213e-09 1.N111 HD21 = 4.186(S), Expected = 7.27, Std = 0.5200, ChiSquare = 3.0152e-09