Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.35 C 0.29 Q 0.2 K 0.13 I 0.01 C Shift Assignments>> CA :: 55.7441 CB :: 30.1111 CG :: 35.3798 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.0401 HB2 :: 2.1159 HB3 :: 2.0948 HG2 :: 2.4169 HG3 :: 2.4169 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> CA :: 52.6277 CB :: 19.3063 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6569 HA :: 4.3090 HB1 :: 1.3428 HB2 :: 1.3428 HB3 :: 1.3428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1970 Ave N Shift Values>> N :: 123.23(3.54) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.3 Q 0.19 K 0.13 I 0.01 C Shift Assignments>> CA :: 56.5002 CB :: 30.0895 CG :: 35.3414 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3538 HA :: 4.2285 HB2 :: 1.9051 HB3 :: 1.8782 HG2 :: 2.2394 HG3 :: 2.2140 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.7947 Ave N Shift Values>> N :: 120.67(3.48) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.19 C Shift Assignments>> CA :: 57.4009 CB :: 39.6964 CD1 :: 131.9493 CD2 :: 131.9493 CE1 :: 131.5760 CE2 :: 131.5760 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.1489 HA :: 4.6518 HB2 :: 3.1013 HB3 :: 3.0059 HD1 :: 7.2250 HD2 :: 7.2250 HE1 :: 7.3300 HE2 :: 7.3300 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.4153 Ave N Shift Values>> N :: 120.45(4.18) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> CA :: 62.2299 CB :: 33.0208 CG1 :: 21.0177 CG2 :: 21.0177 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9035 HA :: 4.0145 HB :: 1.9455 HG11 :: 0.8649 HG12 :: 0.8649 HG13 :: 0.8649 HG21 :: 0.8566 HG22 :: 0.8566 HG23 :: 0.8566 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.6818 Ave N Shift Values>> N :: 121.14(4.54) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.36 G 0.11 K 0.03 C Shift Assignments>> CA :: 55.8795 CB :: 30.8897 CG :: 27.3430 CD :: 43.7380 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1822 HA :: 4.3372 HB2 :: 1.7459 HB3 :: 1.6374 HG2 :: 1.6062 HG3 :: 1.5890 HD2 :: 3.1612 HD3 :: 3.1612 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.2003 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> CA :: 59.7950 CB :: 41.1897 CG1 :: 27.0749 CG2 :: 17.1456 CD1 :: 13.7409 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9144 HA :: 4.3646 HB :: 1.6698 HG12 :: 1.3810 HG13 :: 1.0261 HG21 :: 0.8501 HG22 :: 0.8501 HG23 :: 0.8501 HD11 :: 0.8370 HD12 :: 0.8370 HD13 :: 0.8370 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.6451 Ave N Shift Values>> N :: 121.46(4.28) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.28 G 0.1 F 0.07 C 0.06 D 0.05 Y 0.04 K 0.02 C Shift Assignments>> CA :: 56.7097 CB :: 43.7900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.6480 HA :: 3.5033 HB2 :: 2.4371 HB3 :: 1.8027 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.4136 Ave N Shift Values>> N :: 120.17(4.64) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.2127 CB :: 64.4655 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3461 HA :: 4.3557 HB2 :: 4.0177 HB3 :: 4.0177 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4125 Ave N Shift Values>> N :: 116.28(3.52) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.31 R 0.27 C Shift Assignments>> CA :: 58.2915 CB :: 31.5754 CG :: 26.1444 CD :: 29.2817 CE :: 42.3247 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.0807 HA :: 4.2748 HB2 :: 2.1236 HB3 :: 1.9402 HG2 :: 1.7264 HG3 :: 1.4980 HD2 :: 1.7603 HD3 :: 1.6796 HE2 :: 3.0130 HE3 :: 3.0130 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.4974 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.9109 CB :: 63.0489 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7494 HA :: 4.2905 HB2 :: 4.0510 HB3 :: 4.0510 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.9737 Ave N Shift Values>> N :: 116.28(3.52) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 C Shift Assignments>> CA :: 60.4139 CB :: 38.5154 CD1 :: 131.1851 CD2 :: 131.1851 CE1 :: 117.6835 CE2 :: 117.6835 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.1408 HA :: 3.9714 HB2 :: 2.4381 HB3 :: 2.2226 HD1 :: 6.4546 HD2 :: 6.4546 HE1 :: 6.7267 HE2 :: 6.7267 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.0764 Ave N Shift Values>> N :: 120.52(4.2) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 A 0.02 R 0.01 C Shift Assignments>> CA :: 55.4090 CB :: 40.6619 CG :: 28.5516 CD1 :: 25.2824 CD2 :: 23.4442 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3389 HA :: 4.1790 HB2 :: 1.8640 HB3 :: 1.8393 HG :: 1.7233 HD11 :: 1.0413 HD12 :: 1.0413 HD13 :: 1.0413 HD21 :: 0.8525 HD22 :: 0.8525 HD23 :: 0.8525 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 112.1435 Ave N Shift Values>> N :: 121.86(3.9) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> CA :: 60.6888 CB :: 71.5257 CG2 :: 21.3024 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.2910 HA :: 4.2434 HB :: 3.9305 HG21 :: 1.0842 HG22 :: 1.0842 HG23 :: 1.0842 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.6303 Ave N Shift Values>> N :: 115.42(4.75) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.17 L 0.16 A 0.01 C Shift Assignments>> CA :: 53.3384 CB :: 45.6531 CG :: 26.5282 CD1 :: 27.3573 CD2 :: 24.0467 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4608 HA :: 4.3891 HB2 :: 1.3431 HB3 :: 0.9456 HG :: 1.0923 HD11 :: 0.6404 HD12 :: 0.6404 HD13 :: 0.6404 HD21 :: 0.4778 HD22 :: 0.4778 HD23 :: 0.4778 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.1391 Ave N Shift Values>> N :: 121.86(3.9) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.13 Q 0.09 I 0.09 C Shift Assignments>> CA :: 58.0434 CB :: 28.9429 CG :: 35.8507 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7011 HA :: 3.8954 HB2 :: 1.8358 HB3 :: 1.7888 HG2 :: 2.2140 HG3 :: 2.2140 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 130.1500 Ave N Shift Values>> N :: 120.67(3.48) 1.N17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.33 C 0.27 Y 0.1 N 0.08 F 0.06 K 0.05 Q 0.03 I 0.01 C Shift Assignments>> CA :: 55.6494 CB :: 36.2597 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.9479 HA :: 3.7637 HB2 :: 1.9793 HB3 :: 1.0835(S) HD21 :: 7.4547 HD22 :: 6.8153 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.1581 ND2 :: 116.4826 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.4138 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5654 HA2 :: 4.3443 HA3 :: 3.8748 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.2916 Ave N Shift Values>> N :: 109.67(3.87) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.25 K 0.12 G 0.03 C Shift Assignments>> CA :: 54.7908 CB :: 37.6945 CG :: 24.9369 CD :: 29.1632 CE :: 42.4315 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.0093 HA :: 4.5965 HB2 :: 1.5141 HB3 :: 1.5141 HG2 :: 1.3184 HG3 :: 1.2352 HD2 :: 1.6910 HD3 :: 1.6112 HE2 :: 2.9467 HE3 :: 2.9467 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.0380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> CA :: 60.9618 CB :: 34.4257 CG1 :: 21.6765 CG2 :: 21.3817 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.8333 HA :: 4.5450 HB :: 1.6192 HG11 :: 0.7438 HG12 :: 0.7438 HG13 :: 0.7438 HG21 :: 0.6100 HG22 :: 0.6100 HG23 :: 0.6100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.5382 Ave N Shift Values>> N :: 121.14(4.54) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> CA :: 56.5166 CB :: 39.9386 CD1 :: 131.9242 CD2 :: 131.9242 CE1 :: 131.0295 CE2 :: 131.0295 CZ :: 129.3957 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.9665 HA :: 4.7501 HB2 :: 3.0473 HB3 :: 2.8977 HD1 :: 7.1501 HD2 :: 7.1501 HE1 :: 7.1697 HE2 :: 7.1697 HZ :: 7.1963 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.7805 Ave N Shift Values>> N :: 120.45(4.18) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.28 C 0.21 R 0.04 C Shift Assignments>> CA :: 54.5414 CB :: 44.9700 CG :: 27.6176 CD1 :: 26.7007 CD2 :: 24.0786 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7627 HA :: 5.0543 HB2 :: 1.8856 HB3 :: 1.2867 HG :: 1.3490 HD11 :: 0.9324 HD12 :: 0.9324 HD13 :: 0.9324 HD21 :: 0.8869 HD22 :: 0.8869 HD23 :: 0.8869 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.5940 Ave N Shift Values>> N :: 121.86(3.9) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.1135 CB :: 70.6181 CG2 :: 21.4264 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.3735 HA :: 4.5628 HB :: 4.0723 HG21 :: 1.2573 HG22 :: 1.2573 HG23 :: 1.2573 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.3640 Ave N Shift Values>> N :: 115.42(4.75) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.9444 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9055 HA2 :: 4.1511 HA3 :: 3.8922 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.5430 Ave N Shift Values>> N :: 109.67(3.87) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> CA :: 46.6885 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4488 HA2 :: 3.7686 HA3 :: 3.7686 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5493 Ave N Shift Values>> N :: 109.67(3.87) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.29 L 0.13 F 0.08 Y 0.06 C 0.06 K 0.01 C Shift Assignments>> CA :: 53.3487 CB :: 40.2495 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5005 HA :: 4.6088 HB2 :: 2.6933 HB3 :: 2.6933 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.9220 Ave N Shift Values>> N :: 120.65(3.86) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.34 A 0.29 C Shift Assignments>> CA :: 53.7378 CB :: 40.6881 CG :: 24.7640 CD1 :: 22.5424 CD2 :: 22.5424 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7265 HA :: 4.4460 HB2 :: 1.6028 HB3 :: 1.4667 HG :: 1.4155 HD11 :: 0.8979 HD12 :: 0.8979 HD13 :: 0.8979 HD21 :: 0.8979 HD22 :: 0.8979 HD23 :: 0.8979 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.0990 Ave N Shift Values>> N :: 121.86(3.9) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 64.3405 CB :: 31.3838 CG :: 27.8124 CD :: 50.7049 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2755 HB2 :: 2.2641 HB3 :: 1.9343 HG2 :: 2.1748 HG3 :: 2.0457 HD2 :: 3.8987 HD3 :: 3.7041 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 I 0.01 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> CA :: 53.5848 CB :: 18.0098 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8956 HA :: 3.9337 HB1 :: 1.3933 HB2 :: 1.3933 HB3 :: 1.3933 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5520 Ave N Shift Values>> N :: 123.23(3.54) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> CA :: 56.5363 CB :: 40.0203 CG :: 27.1664 CD1 :: 26.2079 CD2 :: 23.8621 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1805 HA :: 3.5675 HB2 :: 2.1795 HB3 :: 1.5529 HG :: 1.5695 HD11 :: 0.9087 HD12 :: 0.9087 HD13 :: 0.9087 HD21 :: 0.9018 HD22 :: 0.9018 HD23 :: 0.9018 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 112.0500 Ave N Shift Values>> N :: 121.86(3.9) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 L 0.15 K 0.13 D 0.12 C 0.09 I 0.03 N 0.01 C Shift Assignments>> CA :: 57.2656 CB :: 40.8998 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.5916 HA :: 4.0519 HB2 :: 2.7759 HB3 :: 2.5041 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.4060 Ave N Shift Values>> N :: 120.65(3.86) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.0654 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5678 HA2 :: 4.3285 HA3 :: 3.6284 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.2910 Ave N Shift Values>> N :: 109.67(3.87) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.05 C 0.04 C Shift Assignments>> CA :: 52.8695 CB :: 20.4330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4409 HA :: 4.4291 HB1 :: 1.3988 HB2 :: 1.3988 HB3 :: 1.3988 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6297 Ave N Shift Values>> N :: 123.23(3.54) 1.R34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.47 G 0.27 R 0.2 K 0.04 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> CA :: 54.7365 CB :: 34.1770 CG :: 27.8458 CD :: 43.9902 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4968 HA :: 5.5088 HB2 :: 1.9376 HB3 :: 1.7438 HG2 :: 1.7348 HG3 :: 1.6505 HD2 :: 3.1763 HD3 :: 3.1763 HE :: 7.1875 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.4148 NE :: 105.5510(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.16 A 0.01 C Shift Assignments>> CA :: 58.4584 CB :: 35.1837 CG1 :: 23.6026 CG2 :: 21.3577 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9025 HA :: 5.2407 HB :: 1.2321 HG11 :: 0.5016 HG12 :: 0.5016 HG13 :: 0.5016 HG21 :: 0.3333 HG22 :: 0.3333 HG23 :: 0.3333 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.2840 Ave N Shift Values>> N :: 121.14(4.54) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 E 0.22 Q 0.01 C Shift Assignments>> CA :: 53.9734 CB :: 33.0044 CG :: 36.3371 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1968 HA :: 5.1313 HB2 :: 2.0751 HB3 :: 1.9049 HG2 :: 2.3581 HG3 :: 2.1352 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.8824 Ave N Shift Values>> N :: 120.67(3.48) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.22 G 0.05 HN Overlap>> 1.V52 1.V52 C Shift Assignments>> CA :: 57.1057 CB :: 42.7231 CD1 :: 132.5643 CD2 :: 132.5643 CE1 :: 131.1802 CE2 :: 131.1802 CZ :: 130.0573 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.8307 HA :: 5.0304 HB2 :: 2.7444 HB3 :: 2.5908 HD1 :: 6.9756 HD2 :: 6.9756 HE1 :: 7.0943 HE2 :: 7.0943 HZ :: 6.8430 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.1466 Ave N Shift Values>> N :: 120.45(4.18) 1.R38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.51 R 0.24 G 0.19 K 0.04 C Shift Assignments>> CA :: 54.8402 CB :: 34.4257 CG :: 27.1067 CD :: 43.6773 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6000 HA :: 4.6779 HB2 :: 1.8906 HB3 :: 1.7466 HG2 :: 1.7206 HG3 :: 1.6133 HD2 :: 3.2785 HD3 :: 3.1245 HE :: 7.1020 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.3810 NE :: 105.4290(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.24 K 0.17 F 0.11 Y 0.08 C 0.05 N 0.04 R 0.03 C Shift Assignments>> CA :: 55.2187 CB :: 41.5234 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.9909 HA :: 5.0378 HB2 :: 3.0591 HB3 :: 2.5651 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.4126 Ave N Shift Values>> N :: 120.17(4.64) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.15 Y 0.11 D 0.09 F 0.09 E 0.04 L 0.02 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> CA :: 54.0198 CB :: 37.9674 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9865 HA :: 4.6980 HB2 :: 2.9045 HB3 :: 2.4006 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.4910 Ave N Shift Values>> N :: 120.65(3.86) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> CA :: 65.2693 CB :: 32.0156 CG :: 28.0162 CD :: 50.4523 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4409 HB2 :: 2.4030 HB3 :: 1.8909 HG2 :: 2.1590 HG3 :: 2.0654 HD2 :: 3.8416 HD3 :: 3.6526 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.16 N 0.15 D 0.11 L 0.05 I 0.03 E 0.02 C Shift Assignments>> CA :: 55.9737 CB :: 38.6697 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5700 HA :: 4.4132 HB2 :: 2.8957 HB3 :: 2.8119 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.8790 Ave N Shift Values>> N :: 120.65(3.86) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.16 G 0.14 C Shift Assignments>> CA :: 56.7948 CB :: 43.4266 CD1 :: 131.5024 CD2 :: 131.5024 CE1 :: 131.5731 CE2 :: 131.5731 CZ :: 129.8920 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.3260 HA :: 4.9351 HB2 :: 3.2336 HB3 :: 2.5243 HD1 :: 6.8043 HD2 :: 6.8043 HE1 :: 7.2735 HE2 :: 7.2735 HZ :: 7.2920 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.7730 Ave N Shift Values>> N :: 120.45(4.18) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.36 C 0.22 C Shift Assignments>> CA :: 53.9206 CB :: 30.8693 CD2 :: 120.2300 CE1 :: 135.9967 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.1797 HA :: 5.1224 HB2 :: 3.2817 HB3 :: 3.2735 HD2 :: 7.0026 HE1 :: 8.5470 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.9443 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.31 R 0.23 G 0.05 HN Overlap>> 1.A2 1.A2 C Shift Assignments>> CA :: 56.5080 CB :: 43.2440 CG :: 27.4251 CD1 :: 26.3977 CD2 :: 25.4676 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7275 HA :: 4.2644 HB2 :: 1.7358 HB3 :: 1.4556 HG :: 1.1472 HD11 :: 0.6267 HD12 :: 0.6267 HD13 :: 0.6267 HD21 :: 0.5427 HD22 :: 0.5427 HD23 :: 0.5427 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.1880 Ave N Shift Values>> N :: 121.86(3.9) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 62.6021 CB :: 32.2604 CG1 :: 20.9243 CG2 :: 20.9243 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9238 HA :: 4.1298 HB :: 1.1758 HG11 :: 0.8624 HG12 :: 0.8624 HG13 :: 0.8624 HG21 :: 0.8026 HG22 :: 0.8026 HG23 :: 0.8026 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.0522 Ave N Shift Values>> N :: 121.14(4.54) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.31 K 0.08 D 0.08 F 0.06 Y 0.03 C 0.03 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.9207 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3906 HA2 :: 4.5518 HA3 :: 3.5970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.6705 Ave N Shift Values>> N :: 109.67(3.87) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.6858 CB :: 64.1823 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6303 HA :: 4.4811 HB2 :: 4.0792 HB3 :: 3.9085 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.8190 Ave N Shift Values>> N :: 116.28(3.52) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> CA :: 60.0863 CB :: 64.5385 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5049 HA :: 4.4501 HB2 :: 4.3784 HB3 :: 3.9577 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.4126 Ave N Shift Values>> N :: 116.28(3.52) 1.R50 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.51 G 0.22 R 0.21 K 0.04 C Shift Assignments>> CA :: 54.8189 CB :: 34.5761 CG :: 27.3651 CD :: 43.7678 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6662 HA :: 5.5739 HB2 :: 1.8965 HB3 :: 1.7706 HG2 :: 1.6869 HG3 :: 1.6128 HD2 :: 3.1634 HD3 :: 3.1634 HE :: 7.3460 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.2840 NE :: 105.8780(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 S 0.34 C Shift Assignments>> CA :: 59.0860 CB :: 67.1735 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5931 HA :: 4.7407 HB2 :: 3.8360 HB3 :: 3.8041 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2740 Ave N Shift Values>> N :: 116.28(3.52) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 HN Overlap>> 1.F37 1.F37 C Shift Assignments>> CA :: 60.7640 CB :: 35.8312 CG1 :: 21.3832 CG2 :: 20.5484 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9368 HA :: 5.3014 HB :: 2.0433 HG11 :: 0.9614 HG12 :: 0.9614 HG13 :: 0.9614 HG21 :: 0.9196 HG22 :: 0.9196 HG23 :: 0.9196 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.1430 Ave N Shift Values>> N :: 121.14(4.54) 1.C53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.26 D 0.21 F 0.14 Y 0.14 C 0.1 L 0.09 I 0.01 C Shift Assignments>> CA :: 54.8131 CB :: 39.2797 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.7912 HA :: 4.2591 HB2 :: 2.7167 HB3 :: 0.6461(S) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 129.9568 Ave N Shift Values>> N :: 120.17(4.64) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.8916 CB :: 64.4550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3966 HA :: 4.7678 HB2 :: 3.7263 HB3 :: 3.6333 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.6194 Ave N Shift Values>> N :: 116.28(3.52) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.28 K 0.12 R 0.12 E 0.06 I 0.02 C Shift Assignments>> CA :: 56.7299 CB :: 26.9116 CG :: 34.3132 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.4042 HA :: 3.7494 HB2 :: 2.1674 HB3 :: 2.0339 HG2 :: 2.3533 HG3 :: 2.2980 HE21 :: 7.4630 HE22 :: 6.7020 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.3500 NE2 :: 112.5275 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.2007 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1818 HA2 :: 3.7708 HA3 :: 3.2167 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.5338 Ave N Shift Values>> N :: 109.67(3.87) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 Q 0.27 E 0.03 C Shift Assignments>> CA :: 53.7365 CB :: 32.5479 CG :: 33.6089 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.5262 HA :: 4.4977 HB2 :: 2.0162 HB3 :: 1.8499 HG2 :: 2.2659 HG3 :: 2.2659 HE21 :: 7.5275 HE22 :: 6.7935 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.6692 NE2 :: 112.4725 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> CA :: 56.9576 CB :: 30.8544 CD1 :: 127.1357 CE3 :: 120.7572 CZ2 :: 113.2406 CZ3 :: 122.8399 CH2 :: 122.8910 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.3692 HA :: 5.1326 HB2 :: 3.4143 HB3 :: 2.6150 HD1 :: 6.4008 HE1 :: 10.2178 HE3 :: 7.2540 HZ2 :: 6.9169 HZ3 :: 6.8149 HH2 :: 6.6281 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.1300 NE1 :: 130.4688 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.8687 CB :: 63.5937 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2445 HA :: 4.2909 HB2 :: 4.2980 HB3 :: 4.2980 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.8386 Ave N Shift Values>> N :: 116.28(3.52) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.32 C Shift Assignments>> CA :: 58.8667 CB :: 70.7630 CG2 :: 22.2656 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6228 HA :: 5.1902 HB :: 4.5288 HG21 :: 1.4930 HG22 :: 1.4930 HG23 :: 1.4930 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.8850 Ave N Shift Values>> N :: 115.42(4.75) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> CA :: 62.2926 CB :: 32.3606 CG :: 27.6257 CD :: 51.5130 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6873 HB2 :: 2.4547 HB3 :: 1.7768 HG2 :: 2.0991 HG3 :: 2.0370 HD2 :: 3.9863 HD3 :: 3.7258 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.09 G 0.04 C Shift Assignments>> CA :: 54.7421 CB :: 33.0922 CG :: 24.2760 CD :: 30.0793 CE :: 42.7942 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3690 HA :: 3.4405 HB2 :: 1.2068 HB3 :: 0.5308(S) HG2 :: 1.1143 HG3 :: 0.3569(S) HD2 :: 1.2005 HD3 :: 0.9896 HE2 :: 2.8595 HE3 :: 2.7508 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.6493 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> CA :: 63.0933 CB :: 33.4549 CG :: 26.5870 CD :: 49.7083 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.7221 HB2 :: 1.8767 HB3 :: 1.4156 HG2 :: 1.4901 HG3 :: 0.3828(S) HD2 :: 2.8947 HD3 :: 1.8075(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.33 C 0.25 C Shift Assignments>> CA :: 54.4486 CB :: 31.7892 CD2 :: 120.0939 CE1 :: 136.6497 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.8996 HA :: 4.7129 HB2 :: 3.0504 HB3 :: 3.0482 HD2 :: 7.0556 HE1 :: 8.5855 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 109.2260 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.11 F 0.11 Y 0.08 K 0.08 C 0.06 C Shift Assignments>> CA :: 54.5862 CB :: 40.8628 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.3146 HA :: 5.0676 HB2 :: 2.6694 HB3 :: 2.5460 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.3607 Ave N Shift Values>> N :: 120.17(4.64) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Q 0.29 E 0.02 K 0.01 C Shift Assignments>> CA :: 53.6908 CB :: 32.3424 CG :: 33.3208 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.0605 HA :: 4.8423 HB2 :: 1.6852 HB3 :: 1.3162 HG2 :: 2.4510 HG3 :: 2.4510 HE21 :: 7.7250 HE22 :: 6.9242 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.8310 NE2 :: 113.2677 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> CA :: 63.2152 CB :: 32.2973 CG1 :: 20.4082 CG2 :: 21.2747 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5717 HA :: 3.4564 HB :: 1.8623 HG11 :: 0.8449 HG12 :: 0.8449 HG13 :: 0.8449 HG21 :: 0.7708 HG22 :: 0.7708 HG23 :: 0.7708 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.7491 Ave N Shift Values>> N :: 121.14(4.54) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.18 Y 0.18 F 0.14 D 0.08 E 0.07 L 0.02 I 0.02 C Shift Assignments>> CA :: 55.2017 CB :: 37.9763 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9302 HA :: 4.3351 HB2 :: 2.7659 HB3 :: 2.5959 HD21 :: 7.5080 HD22 :: 6.6099 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 129.1743 ND2 :: 110.3615 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 61 #Clerical: 0 #Suspicious: 4 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 68 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 0 C Shift Results: #Consistent: 230 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 453 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 69 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 Error Summary: 1.N17 HB3 = 1.0835(S), Expected = 2.75, Std = 0.3300, ChiSquare = 4.4181e-07 1.R34 NE = 105.5510(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.3473e-35 1.R38 NE = 105.4290(A), Expected = 84.63, Std = 1.6800, ChiSquare = 3.3385e-35 1.R50 NE = 105.8780(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.1532e-36 1.C53 HB3 = 0.6461(S), Expected = 2.89, Std = 0.4600, ChiSquare = 1.0714e-06 1.K62 HB3 = 0.5308(S), Expected = 1.74, Std = 0.2700, ChiSquare = 7.5163e-06 1.K62 HG3 = 0.3569(S), Expected = 1.35, Std = 0.2800, ChiSquare = 3.8996e-04 1.P63 HG3 = 0.3828(S), Expected = 1.90, Std = 0.3300, ChiSquare = 4.2744e-06 1.P63 HD3 = 1.8075(S), Expected = 3.61, Std = 0.3900, ChiSquare = 3.8043e-06